smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1)c1cccc2nccnc21 ZINC000012031055 962225384 /nfs/dbraw/zinc/22/53/84/962225384.db2.gz DBHOPMWKTJGMGY-DEOSSOPVSA-N 0 1 424.504 3.996 50 0 HHAAMN CCN(Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000012297954 962267316 /nfs/dbraw/zinc/26/73/16/962267316.db2.gz IDIFAQZMVDDSCP-GOSISDBHSA-N 0 1 407.967 3.719 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4scnc4C)C3)C2)c1 ZINC000012315958 962270258 /nfs/dbraw/zinc/27/02/58/962270258.db2.gz ZOPUIDSPNJAHKK-OAQYLSRUSA-N 0 1 403.523 3.728 50 0 HHAAMN O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1[nH]nc2ccccc21 ZINC000012317233 962270635 /nfs/dbraw/zinc/27/06/35/962270635.db2.gz KXDGRJDPJUCYBU-OAHLLOKOSA-N 0 1 405.527 3.815 50 0 HHAAMN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000012439638 962280526 /nfs/dbraw/zinc/28/05/26/962280526.db2.gz IEIUOJVERZUUQR-UHFFFAOYSA-N 0 1 404.470 3.894 50 0 HHAAMN CC(C)n1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cn1 ZINC000012761059 962325854 /nfs/dbraw/zinc/32/58/54/962325854.db2.gz GAHFGFCCMUMECC-UHFFFAOYSA-N 0 1 406.534 3.679 50 0 HHAAMN O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccc4nsnc4c3)N3CCC[C@@]123 ZINC000015064086 962645373 /nfs/dbraw/zinc/64/53/73/962645373.db2.gz LDYIDKUIXASZQL-OEOAZWSVSA-N 0 1 416.550 3.597 50 0 HHAAMN COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(CC(C)C)[nH]n4)N4CCC[C@@]34C2=O)cc1 ZINC000019782150 963375439 /nfs/dbraw/zinc/37/54/39/963375439.db2.gz YMYGLFQQYUWGGB-OEOAZWSVSA-N 0 1 408.546 3.555 50 0 HHAAMN O=C1CCN(Cc2cccc(OCc3ccccc3)c2)CCN1Cc1ccccn1 ZINC000020119029 963384165 /nfs/dbraw/zinc/38/41/65/963384165.db2.gz UJKSGGQPFJXLTQ-UHFFFAOYSA-N 0 1 401.510 3.895 50 0 HHAAMN CC[C@H](C)N1CCN(C(=O)c2c(C)oc3c2CN(Cc2cccc(F)c2)CC3)CC1 ZINC000107472719 969309575 /nfs/dbraw/zinc/30/95/75/969309575.db2.gz LOUOWPSSXKEYFH-KRWDZBQOSA-N 0 1 413.537 3.842 50 0 HHAAMN O=C(c1cccnc1)N1CCC([C@H]2c3nccn3CCCN2Cc2ccccc2)CC1 ZINC000257188275 970622839 /nfs/dbraw/zinc/62/28/39/970622839.db2.gz FABJQUVSEXBIBU-QHCPKHFHSA-N 0 1 415.541 3.778 50 0 HHAAMN Cc1cnc(CC2CCN(S(=O)(=O)c3ccccc3)CC2)n1Cc1ccccc1 ZINC000257192874 970625043 /nfs/dbraw/zinc/62/50/43/970625043.db2.gz WCQKJPBJBMKFRR-UHFFFAOYSA-N 0 1 409.555 3.883 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 ZINC000005136576 132302746 /nfs/dbraw/zinc/30/27/46/132302746.db2.gz MEXBHKOSKFGNBV-UHFFFAOYSA-N 0 1 402.516 3.740 50 0 HHAAMN Cc1c(C)n(C)c2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000006911067 132320404 /nfs/dbraw/zinc/32/04/04/132320404.db2.gz HQCBHCQGBWTZLG-UHFFFAOYSA-N 0 1 422.548 3.876 50 0 HHAAMN Cn1c(Sc2c(O)cc(N3CCN(C)CC3)c3ccccc32)nnc1-c1ccco1 ZINC000012427830 132359774 /nfs/dbraw/zinc/35/97/74/132359774.db2.gz YSFORVZZBYAVET-UHFFFAOYSA-N 0 1 421.526 3.837 50 0 HHAAMN O=C(CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)c(F)c1 ZINC000012878943 132368155 /nfs/dbraw/zinc/36/81/55/132368155.db2.gz JOBXHZCFGHLQNF-UHFFFAOYSA-N 0 1 414.378 3.529 50 0 HHAAMN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557930 520508387 /nfs/dbraw/zinc/50/83/87/520508387.db2.gz VVTIHSIMEIVWEJ-OAQYLSRUSA-N 0 1 411.477 3.519 50 0 HHAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 ZINC000040287270 521870683 /nfs/dbraw/zinc/87/06/83/521870683.db2.gz JQQJGEKMEVXYFK-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN CCc1c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[nH]c(C)c1C(C)=O ZINC000052690840 523696218 /nfs/dbraw/zinc/69/62/18/523696218.db2.gz ICRLCTHUHFHTNU-HOTGVXAUSA-N 0 1 411.546 3.627 50 0 HHAAMN CCc1c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)[nH]c(C)c1C(C)=O ZINC000052690837 523697148 /nfs/dbraw/zinc/69/71/48/523697148.db2.gz ICRLCTHUHFHTNU-HZPDHXFCSA-N 0 1 411.546 3.627 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)c(Br)c1 ZINC000032097902 525618551 /nfs/dbraw/zinc/61/85/51/525618551.db2.gz JKILHXAWTICDRR-UHFFFAOYSA-N 0 1 409.309 3.884 50 0 HHAAMN Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000043083391 526256265 /nfs/dbraw/zinc/25/62/65/526256265.db2.gz IGLVHPCDDMUATD-HXUWFJFHSA-N 0 1 410.587 3.824 50 0 HHAAMN CCOc1ccc(NC(=S)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004791646 535750394 /nfs/dbraw/zinc/75/03/94/535750394.db2.gz FTQXXPWRVLLOAH-UHFFFAOYSA-N 0 1 416.566 3.723 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2cccc(Br)c2)C1C(=O)OCCc1ccccc1 ZINC000000725571 557073064 /nfs/dbraw/zinc/07/30/64/557073064.db2.gz UJOSDPZUISTQJL-SFHVURJKSA-N 0 1 415.287 3.863 50 0 HHAAMN CCOc1cccc([C@H]2NC(=O)N=C(C)C2C(=O)OCC(Cl)(Cl)Cl)c1 ZINC000000847622 557099820 /nfs/dbraw/zinc/09/98/20/557099820.db2.gz BGPXPGQOVRRHOW-CYBMUJFWSA-N 0 1 407.681 3.627 50 0 HHAAMN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000001128724 557196980 /nfs/dbraw/zinc/19/69/80/557196980.db2.gz AOKBBEZPYGUQKT-UHFFFAOYSA-N 0 1 422.466 3.893 50 0 HHAAMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1C ZINC000001142045 557204732 /nfs/dbraw/zinc/20/47/32/557204732.db2.gz CDEOSPHUUJJDGT-UHFFFAOYSA-N 0 1 404.271 3.898 50 0 HHAAMN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2cccc3ccccc32)NC(=O)N1 ZINC000001190472 557235861 /nfs/dbraw/zinc/23/58/61/557235861.db2.gz HEQLEUFDWUEEBK-JOCHJYFZSA-N 0 1 416.433 3.940 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Cc2ccccc2)cc1 ZINC000001425363 557261428 /nfs/dbraw/zinc/26/14/28/557261428.db2.gz OHEPHJLUOGRZLF-UHFFFAOYSA-N 0 1 408.479 3.871 50 0 HHAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C ZINC000001474191 557269810 /nfs/dbraw/zinc/26/98/10/557269810.db2.gz IREUPMRYTSGAAQ-JOCHJYFZSA-N 0 1 416.481 3.957 50 0 HHAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C ZINC000001474190 557269820 /nfs/dbraw/zinc/26/98/20/557269820.db2.gz IREUPMRYTSGAAQ-QFIPXVFZSA-N 0 1 416.481 3.957 50 0 HHAAMN COC(=O)[C@](NC(=O)c1ccc(C)cc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002050310 557300656 /nfs/dbraw/zinc/30/06/56/557300656.db2.gz HXMLKZZERUWFBL-SFHVURJKSA-N 0 1 423.416 3.878 50 0 HHAAMN COC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002050506 557300935 /nfs/dbraw/zinc/30/09/35/557300935.db2.gz RWKYHDHJKASDIC-GOSISDBHSA-N 0 1 423.416 3.878 50 0 HHAAMN O=C(Nc1ccc(N2CCCN(Cc3ccncc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681916 557383988 /nfs/dbraw/zinc/38/39/88/557383988.db2.gz QAGIVYQVHBQAEV-UHFFFAOYSA-N 0 1 423.467 3.719 50 0 HHAAMN COCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000034682969 557385284 /nfs/dbraw/zinc/38/52/84/557385284.db2.gz OYSCQUNFOYMBLO-UHFFFAOYSA-N 0 1 412.530 3.656 50 0 HHAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccco2)n[nH]1 ZINC000004210518 557528897 /nfs/dbraw/zinc/52/88/97/557528897.db2.gz LTTJVSIBFUEAIY-UHFFFAOYSA-N 0 1 406.489 3.651 50 0 HHAAMN COc1cccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1OC ZINC000004670401 557579335 /nfs/dbraw/zinc/57/93/35/557579335.db2.gz KMBVPGKKKNIPAB-UHFFFAOYSA-N 0 1 402.922 3.886 50 0 HHAAMN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Cl)c2Cl)n2ncnc2N1 ZINC000004987018 557621309 /nfs/dbraw/zinc/62/13/09/557621309.db2.gz JBWCGLUCUKRGDT-MEDUHNTESA-N 0 1 409.273 3.596 50 0 HHAAMN CCOc1ccc(N2C(=O)C[C@H](Sc3nc(-c4cccc(C)c4)n[nH]3)C2=O)cc1 ZINC000005408551 557651660 /nfs/dbraw/zinc/65/16/60/557651660.db2.gz LNYWMOOANWIOGL-KRWDZBQOSA-N 0 1 408.483 3.603 50 0 HHAAMN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000011759658 558273053 /nfs/dbraw/zinc/27/30/53/558273053.db2.gz ZDOMLHDYGWJZOU-DEOSSOPVSA-N 0 1 417.557 3.868 50 0 HHAAMN COCC[N@H+](Cc1ccc(COC)o1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011838319 558285245 /nfs/dbraw/zinc/28/52/45/558285245.db2.gz GRHSEJLAKLUCAD-UHFFFAOYSA-N 0 1 404.526 3.926 50 0 HHAAMN CCOC(=O)C1CCN(c2ccccc2CN2CCN(Cc3ccccc3)CC2)CC1 ZINC000019834915 558292431 /nfs/dbraw/zinc/29/24/31/558292431.db2.gz XQUZNSHJVXVSQK-UHFFFAOYSA-N 0 1 421.585 3.784 50 0 HHAAMN COc1cccc(N2C[C@@H]3C[C@@H](c4cccc(OC)c4OC)N4CCC[C@@]34C2=O)c1 ZINC000012002898 558308745 /nfs/dbraw/zinc/30/87/45/558308745.db2.gz NJONVCYWAWSSHV-YFBXQHAESA-N 0 1 408.498 3.655 50 0 HHAAMN Cc1ncc(CN2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)s1 ZINC000020136433 558337701 /nfs/dbraw/zinc/33/77/01/558337701.db2.gz XCJTYYFVEMKLFS-UHFFFAOYSA-N 0 1 422.554 3.820 50 0 HHAAMN Cc1c(C(=O)Nc2ccncc2)cc(-c2ccccc2)n1CCCN1CCOCC1 ZINC000020224145 558349313 /nfs/dbraw/zinc/34/93/13/558349313.db2.gz BKELGKRWRYBEBA-UHFFFAOYSA-N 0 1 404.514 3.833 50 0 HHAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 ZINC000012298875 558368924 /nfs/dbraw/zinc/36/89/24/558368924.db2.gz JASKYEOPUKLTNW-QGZVFWFLSA-N 0 1 415.534 3.748 50 0 HHAAMN C/C=C/c1ccc(OCCOCCN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000020500168 558380765 /nfs/dbraw/zinc/38/07/65/558380765.db2.gz DLQFWHMSLKNRKJ-XVNBXDOJSA-N 0 1 410.558 3.942 50 0 HHAAMN COC[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012318397 558381410 /nfs/dbraw/zinc/38/14/10/558381410.db2.gz CNVBMOHOWJDSIS-HXUWFJFHSA-N 0 1 423.557 3.624 50 0 HHAAMN COc1cc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000012373204 558390633 /nfs/dbraw/zinc/39/06/33/558390633.db2.gz LXXJMZCPDFQMNN-AWEZNQCLSA-N 0 1 406.885 3.835 50 0 HHAAMN CSc1ccccc1OCc1cc(C(=O)NCc2cc(C(C)(C)C)[nH]n2)no1 ZINC000012429256 558404111 /nfs/dbraw/zinc/40/41/11/558404111.db2.gz SIQNKPGQPLTOPS-UHFFFAOYSA-N 0 1 400.504 3.926 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(F)ccc2F)c1 ZINC000020730514 558406437 /nfs/dbraw/zinc/40/64/37/558406437.db2.gz DWOXGIIQUOFDRH-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)CC1 ZINC000012440814 558411675 /nfs/dbraw/zinc/41/16/75/558411675.db2.gz WIRFMMBAMYKCSH-UHFFFAOYSA-N 0 1 423.435 3.847 50 0 HHAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012590567 558435583 /nfs/dbraw/zinc/43/55/83/558435583.db2.gz NNTAIFPQXMBXNX-HNNXBMFYSA-N 0 1 424.923 3.969 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC2CCCCC2)c1 ZINC000012631516 558442077 /nfs/dbraw/zinc/44/20/77/558442077.db2.gz MYMZGQABHXGFFW-UHFFFAOYSA-N 0 1 402.516 3.806 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N(C)C)cc1OC ZINC000021807599 558450867 /nfs/dbraw/zinc/45/08/67/558450867.db2.gz KDTYFAODILMQRQ-IBGZPJMESA-N 0 1 409.486 3.700 50 0 HHAAMN CN(C)[C@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccs1 ZINC000021866120 558452773 /nfs/dbraw/zinc/45/27/73/558452773.db2.gz BPMXXICFCXERSF-HXUWFJFHSA-N 0 1 408.523 3.777 50 0 HHAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000022011664 558457805 /nfs/dbraw/zinc/45/78/05/558457805.db2.gz CYYLYJKIKTYRDN-QFIPXVFZSA-N 0 1 409.530 3.521 50 0 HHAAMN Cc1ccn2c(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2c1 ZINC000022799075 558512507 /nfs/dbraw/zinc/51/25/07/558512507.db2.gz RKKXJUQGEABCBT-UHFFFAOYSA-N 0 1 424.548 3.910 50 0 HHAAMN O=c1[nH]c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21 ZINC000022801654 558513291 /nfs/dbraw/zinc/51/32/91/558513291.db2.gz TTWCXMBGMVVNOR-UHFFFAOYSA-N 0 1 410.521 3.830 50 0 HHAAMN CCOc1cc2c(cc1CN[C@H](CN1CCOCC1)c1ccc(C)cc1)O[C@@H](C)C2 ZINC000022804535 558513817 /nfs/dbraw/zinc/51/38/17/558513817.db2.gz DORQMBXFLIFGAS-WMZHIEFXSA-N 0 1 410.558 3.880 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@@H](NC[C@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929726 558523715 /nfs/dbraw/zinc/52/37/15/558523715.db2.gz XQDKRDZMJYPTTD-RPWUZVMVSA-N 0 1 409.574 3.930 50 0 HHAAMN C[C@@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CCN1C ZINC000023375473 558554886 /nfs/dbraw/zinc/55/48/86/558554886.db2.gz YWMVMYBOCBTWHG-QGZVFWFLSA-N 0 1 417.985 3.530 50 0 HHAAMN CCN1CCN(CCOc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2C)CC1 ZINC000022933387 558615422 /nfs/dbraw/zinc/61/54/22/558615422.db2.gz RKTKHTCFBXUVCF-UHFFFAOYSA-N 0 1 422.525 3.793 50 0 biogenic HHAAMN CCCN1CCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000025664197 558646931 /nfs/dbraw/zinc/64/69/31/558646931.db2.gz JFUIADFQBBVTSS-NRFANRHFSA-N 0 1 413.949 3.755 50 0 HHAAMN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C)cc1 ZINC000026121017 558655737 /nfs/dbraw/zinc/65/57/37/558655737.db2.gz NEVORYDWNUEBHN-UHFFFAOYSA-N 0 1 422.529 3.831 50 0 HHAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C1=COCCO1 ZINC000026129569 558656115 /nfs/dbraw/zinc/65/61/15/558656115.db2.gz SSGVQZASDUNVPG-QGZVFWFLSA-N 0 1 403.360 3.676 50 0 HHAAMN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014955640 558682323 /nfs/dbraw/zinc/68/23/23/558682323.db2.gz MOJABNPCIKVSHX-SFHVURJKSA-N 0 1 423.483 3.579 50 0 HHAAMN Cc1nonc1CNC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000014982033 558692209 /nfs/dbraw/zinc/69/22/09/558692209.db2.gz QGIUHNBAXNMMPL-KRWDZBQOSA-N 0 1 419.529 3.628 50 0 HHAAMN CC[C@@H](NC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)c1cccs1 ZINC000014991169 558694520 /nfs/dbraw/zinc/69/45/20/558694520.db2.gz PCPDUBYRWGHREH-CQSZACIVSA-N 0 1 415.588 3.694 50 0 HHAAMN COc1ccc(OC)c(NC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000015078286 558717631 /nfs/dbraw/zinc/71/76/31/558717631.db2.gz BRGUUDSBTGIUNT-HXUWFJFHSA-N 0 1 424.545 3.522 50 0 HHAAMN O=C(NCCN1CCc2ccccc2C1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000030634569 558734726 /nfs/dbraw/zinc/73/47/26/558734726.db2.gz HCLRTUCCTDBUTG-UHFFFAOYSA-N 0 1 417.484 3.866 50 0 HHAAMN CC[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1n[nH]c(C)n1 ZINC000072298040 558750432 /nfs/dbraw/zinc/75/04/32/558750432.db2.gz GRXFYIPDCVFNMZ-ZDUSSCGKSA-N 0 1 403.895 3.961 50 0 HHAAMN CCN(Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305222 558757827 /nfs/dbraw/zinc/75/78/27/558757827.db2.gz LTDMZPPJRBOQNR-LJQANCHMSA-N 0 1 421.570 3.794 50 0 HHAAMN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)c1 ZINC000015936601 558762929 /nfs/dbraw/zinc/76/29/29/558762929.db2.gz GEQPPDSGGJGCMC-CQSZACIVSA-N 0 1 409.408 3.951 50 0 HHAAMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022298777 558779265 /nfs/dbraw/zinc/77/92/65/558779265.db2.gz VLFKLHBWWGECIT-OAQYLSRUSA-N 0 1 400.950 3.699 50 0 HHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000016301996 558784715 /nfs/dbraw/zinc/78/47/15/558784715.db2.gz LSXOCZOLTHLHGQ-UHFFFAOYSA-N 0 1 421.394 3.881 50 0 HHAAMN CC(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145854 558797979 /nfs/dbraw/zinc/79/79/79/558797979.db2.gz VAZRBLAKDVLURD-YADHBBJMSA-N 0 1 400.494 3.607 50 0 HHAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)c1 ZINC000097938033 558820799 /nfs/dbraw/zinc/82/07/99/558820799.db2.gz VDCPZABQQLSTQT-UHFFFAOYSA-N 0 1 400.460 3.562 50 0 HHAAMN COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O ZINC000306122895 558830126 /nfs/dbraw/zinc/83/01/26/558830126.db2.gz JEDPSOYOYVELLZ-UHFFFAOYSA-N 0 1 419.525 3.870 50 0 in-vitro HHAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018114337 558831335 /nfs/dbraw/zinc/83/13/35/558831335.db2.gz VGAJYRKEVKPHAO-BDTNDASRSA-N 0 1 400.434 3.746 50 0 HHAAMN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCc4nc[nH]c4C3)c(C)c21 ZINC000013571106 558844546 /nfs/dbraw/zinc/84/45/46/558844546.db2.gz LKPMXJXCSPVWBD-UHFFFAOYSA-N 0 1 405.454 3.623 50 0 biogenic HHAAMN CNc1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)ccn1 ZINC000019144019 558846610 /nfs/dbraw/zinc/84/66/10/558846610.db2.gz WJTQUCSPFNXIQS-QFIPXVFZSA-N 0 1 400.473 3.530 50 0 HHAAMN Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000054253553 558866922 /nfs/dbraw/zinc/86/69/22/558866922.db2.gz VFWRDNOOWNVOTJ-UHFFFAOYSA-N 0 1 408.933 3.645 50 0 HHAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)CC1 ZINC000055309207 558878877 /nfs/dbraw/zinc/87/88/77/558878877.db2.gz HJAPBHYOOXOINI-QHCPKHFHSA-N 0 1 409.549 3.880 50 0 HHAAMN CCCn1c2ccccc2nc1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000010652835 558885393 /nfs/dbraw/zinc/88/53/93/558885393.db2.gz MNUUQYAXXJXPMG-UHFFFAOYSA-N 0 1 407.499 3.848 50 0 HHAAMN COc1ccccc1CN1CCC(Nc2ncc(C(=O)N(C)C)cc2Cl)CC1 ZINC000058010311 558895085 /nfs/dbraw/zinc/89/50/85/558895085.db2.gz GNNWITRKDFFKTC-UHFFFAOYSA-N 0 1 402.926 3.522 50 0 HHAAMN COc1ccccc1S(=O)(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000058017327 558895675 /nfs/dbraw/zinc/89/56/75/558895675.db2.gz QQSFHIQOHIOBRO-UHFFFAOYSA-N 0 1 406.504 3.863 50 0 HHAAMN C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000058135687 558901062 /nfs/dbraw/zinc/90/10/62/558901062.db2.gz WGHVVWWZLXSYFH-LLVKDONJSA-N 0 1 424.284 3.764 50 0 HHAAMN CN(C)[C@@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccsc1 ZINC000058161476 558905721 /nfs/dbraw/zinc/90/57/21/558905721.db2.gz DVSGPDFJWNXFIK-INIZCTEOSA-N 0 1 424.452 3.772 50 0 HHAAMN Cc1[nH]ncc1CCCNC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000058309739 558918661 /nfs/dbraw/zinc/91/86/61/558918661.db2.gz UMULUCAQESENEB-UHFFFAOYSA-N 0 1 408.458 3.780 50 0 HHAAMN CCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068986 558981384 /nfs/dbraw/zinc/98/13/84/558981384.db2.gz MXWHCAHKCPLFSK-UHFFFAOYSA-N 0 1 417.531 3.502 50 0 HHAAMN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nc(C2CCCC2)n[nH]1 ZINC000023007945 558984790 /nfs/dbraw/zinc/98/47/90/558984790.db2.gz GYLUCUXMFKLLGY-UHFFFAOYSA-N 0 1 424.548 3.752 50 0 HHAAMN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1n[nH]c(C2CCCC2)n1 ZINC000023007945 558984793 /nfs/dbraw/zinc/98/47/93/558984793.db2.gz GYLUCUXMFKLLGY-UHFFFAOYSA-N 0 1 424.548 3.752 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067741623 558992122 /nfs/dbraw/zinc/99/21/22/558992122.db2.gz SKKGLEUPBDGDCQ-UHFFFAOYSA-N 0 1 413.481 3.570 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067741623 558992123 /nfs/dbraw/zinc/99/21/23/558992123.db2.gz SKKGLEUPBDGDCQ-UHFFFAOYSA-N 0 1 413.481 3.570 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C(C)C)CC2)c(NC(=O)c2c(F)cccc2F)c1 ZINC000033278770 559042253 /nfs/dbraw/zinc/04/22/53/559042253.db2.gz RPVAPWWSMIHZFF-UHFFFAOYSA-N 0 1 417.456 3.534 50 0 HHAAMN COCCC[N@@H+]1CCc2nc(SCc3cccc(Br)c3)[n-]c(=O)c2C1 ZINC000033287227 559043847 /nfs/dbraw/zinc/04/38/47/559043847.db2.gz YDKKPRUOFQFTPJ-UHFFFAOYSA-N 0 1 424.364 3.632 50 0 HHAAMN COCCC[N@H+]1CCc2nc(SCc3cccc(Br)c3)[n-]c(=O)c2C1 ZINC000033287227 559043848 /nfs/dbraw/zinc/04/38/48/559043848.db2.gz YDKKPRUOFQFTPJ-UHFFFAOYSA-N 0 1 424.364 3.632 50 0 HHAAMN CCCN1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)CC1 ZINC000023313240 559115945 /nfs/dbraw/zinc/11/59/45/559115945.db2.gz DHPJGDACCHVTNM-UHFFFAOYSA-N 0 1 404.514 3.920 50 0 HHAAMN CCCN1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)[nH]n3)cc2)CC1 ZINC000023313240 559115949 /nfs/dbraw/zinc/11/59/49/559115949.db2.gz DHPJGDACCHVTNM-UHFFFAOYSA-N 0 1 404.514 3.920 50 0 HHAAMN Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@@H]1c1ccncc1 ZINC000100723574 559138507 /nfs/dbraw/zinc/13/85/07/559138507.db2.gz XJZAFMJCRHXMSW-ACRUOGEOSA-N 0 1 403.413 3.580 50 0 HHAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(C)[C@@H](CCO)C1 ZINC000106951593 559164069 /nfs/dbraw/zinc/16/40/69/559164069.db2.gz AZIKMJIKWWAHES-FQEVSTJZSA-N 0 1 407.514 3.941 50 0 HHAAMN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(C)CC2)cc1 ZINC000023477130 559176186 /nfs/dbraw/zinc/17/61/86/559176186.db2.gz DAPDQEPBCKGHCC-VWLOTQADSA-N 0 1 417.553 3.556 50 0 HHAAMN COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008901877 560640226 /nfs/dbraw/zinc/64/02/26/560640226.db2.gz KQZRLKGTJNLHEI-OAQYLSRUSA-N 0 1 422.616 3.836 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)NCCC4=CCCCC4)c3=O)c2c1 ZINC000101497625 560796502 /nfs/dbraw/zinc/79/65/02/560796502.db2.gz JUUANDCLAXMHKA-UHFFFAOYSA-N 0 1 412.515 3.556 50 0 HHAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000102727819 560821962 /nfs/dbraw/zinc/82/19/62/560821962.db2.gz DVRPZJPCGJGFTH-YPAWHYETSA-N 0 1 418.424 3.885 50 0 HHAAMN CCOc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)nc(C)n1 ZINC000012226334 560894602 /nfs/dbraw/zinc/89/46/02/560894602.db2.gz GZWCMJBRFAQVOV-UHFFFAOYSA-N 0 1 402.451 3.867 50 0 HHAAMN CCN1CCN(c2ccc(CNC(=O)c3cc4ccc(Cl)cc4nc3C)cn2)CC1 ZINC000048287531 568434723 /nfs/dbraw/zinc/43/47/23/568434723.db2.gz NMQZFRRXYFEOPI-UHFFFAOYSA-N 0 1 423.948 3.664 50 0 HHAAMN O[C@@H](CSc1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1 ZINC000020384958 568603149 /nfs/dbraw/zinc/60/31/49/568603149.db2.gz CHNJBACPVVGYNI-GOSISDBHSA-N 0 1 407.377 3.724 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487318 568613363 /nfs/dbraw/zinc/61/33/63/568613363.db2.gz SXCALUYBGPRWAP-UHFFFAOYSA-N 0 1 418.515 3.539 50 0 HHAAMN O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000020618518 568638249 /nfs/dbraw/zinc/63/82/49/568638249.db2.gz ZPHBLCMZCICJNU-UHFFFAOYSA-N 0 1 415.559 3.511 50 0 HHAAMN CN1CC=C(c2noc(CCC(=O)Nc3cc(-c4cccc(Cl)c4)no3)n2)CC1 ZINC000020901797 568650124 /nfs/dbraw/zinc/65/01/24/568650124.db2.gz HSEMCIBTNRKCRC-UHFFFAOYSA-N 0 1 413.865 3.668 50 0 HHAAMN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)s2)on1 ZINC000020994765 568656409 /nfs/dbraw/zinc/65/64/09/568656409.db2.gz FBIALKAPUVVCTN-UHFFFAOYSA-N 0 1 414.411 3.659 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cccc(C)c2C)c(C)n1C ZINC000021030221 568659230 /nfs/dbraw/zinc/65/92/30/568659230.db2.gz MHMPHYQMDLMDRQ-UHFFFAOYSA-N 0 1 417.575 3.932 50 0 HHAAMN O=S1(=O)NC(SCc2ccc(Br)cc2F)=Nc2ccccc21 ZINC000021117370 568669242 /nfs/dbraw/zinc/66/92/42/568669242.db2.gz BPGOMBIYFBCZGK-UHFFFAOYSA-N 0 1 401.282 3.992 50 0 HHAAMN CCN(CC)c1ccc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)cc1 ZINC000225799252 568675630 /nfs/dbraw/zinc/67/56/30/568675630.db2.gz SZJVGKCCKYWXCK-OAQYLSRUSA-N 0 1 411.550 3.502 50 0 HHAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1C ZINC000096324762 568734276 /nfs/dbraw/zinc/73/42/76/568734276.db2.gz RZCGDCYFZKWMMY-GOSISDBHSA-N 0 1 403.486 3.579 50 0 HHAAMN COc1cccc(NS(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CCC4)o3)c2C)c1 ZINC000096379509 568740915 /nfs/dbraw/zinc/74/09/15/568740915.db2.gz NEEWDFIUNBNFBY-UHFFFAOYSA-N 0 1 402.476 3.758 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(-c2nc(C)no2)cc1)N1CCCC1 ZINC000025267091 568761125 /nfs/dbraw/zinc/76/11/25/568761125.db2.gz PKTXXGARAXSCBT-FQEVSTJZSA-N 0 1 406.486 3.621 50 0 HHAAMN Cc1ccc(S(=O)(=O)N2CCC(N3CCc4sccc4C3)CC2)cc1Cl ZINC000225690041 568779091 /nfs/dbraw/zinc/77/90/91/568779091.db2.gz ZCMZBIZKANEZJE-UHFFFAOYSA-N 0 1 410.992 3.921 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2n[nH]c3ccccc32)c1 ZINC000012540150 568847258 /nfs/dbraw/zinc/84/72/58/568847258.db2.gz ZVSCMHAXVXBVMK-UHFFFAOYSA-N 0 1 422.466 3.625 50 0 HHAAMN COc1cc(Br)c(S(=O)(=O)Nc2cccc(C)c2C)cc1OC ZINC000012551999 568853765 /nfs/dbraw/zinc/85/37/65/568853765.db2.gz OYMHPMLKHWBBTD-UHFFFAOYSA-N 0 1 400.294 3.884 50 0 HHAAMN C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](c3cccs3)N(C)C)cc2F)C[C@H](C)O1 ZINC000057853780 568863376 /nfs/dbraw/zinc/86/33/76/568863376.db2.gz PRPMLKFYHNBGTJ-KHYOSLBOSA-N 0 1 420.554 3.925 50 0 HHAAMN C[C@H](NCCSc1nccn1C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012580319 568864043 /nfs/dbraw/zinc/86/40/43/568864043.db2.gz CDNNXNKCPHLNCK-NSHDSACASA-N 0 1 417.585 3.890 50 0 HHAAMN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1 ZINC000003333219 568882479 /nfs/dbraw/zinc/88/24/79/568882479.db2.gz GVNQKYRDSIWKLG-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(=S)n(CN3CCCC3)c2c1 ZINC000003362763 568888297 /nfs/dbraw/zinc/88/82/97/568888297.db2.gz UQPLVSOJZWVTFE-UHFFFAOYSA-N 0 1 419.528 3.826 50 0 HHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000031809428 568932214 /nfs/dbraw/zinc/93/22/14/568932214.db2.gz VRDZAWMHCCGQIO-VIFPVBQESA-N 0 1 414.256 3.628 50 0 HHAAMN C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008185786 568980517 /nfs/dbraw/zinc/98/05/17/568980517.db2.gz VMSDJIMEUYVKAN-HZPDHXFCSA-N 0 1 421.588 3.601 50 0 HHAAMN O=C1CCSc2ccc(S(=O)(=O)[N-]c3cccc(C[NH+]4CCCC4)c3)cc2N1 ZINC000015731073 568980955 /nfs/dbraw/zinc/98/09/55/568980955.db2.gz UCTLRBXUPUGMRP-UHFFFAOYSA-N 0 1 417.556 3.518 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)c(C)c1C ZINC000104469179 569008926 /nfs/dbraw/zinc/00/89/26/569008926.db2.gz BWTYEMKWFDGXCF-HXUWFJFHSA-N 0 1 404.501 3.659 50 0 HHAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1csc(COc2ccc(F)cc2)n1 ZINC000012937574 569027885 /nfs/dbraw/zinc/02/78/85/569027885.db2.gz PETCDSBETLRQJM-GOSISDBHSA-N 0 1 411.502 3.866 50 0 HHAAMN CCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)n[nH]2)cnn1-c1ccc(C)cc1 ZINC000012949067 569029379 /nfs/dbraw/zinc/02/93/79/569029379.db2.gz UMYFQODHEUOICK-UHFFFAOYSA-N 0 1 402.458 3.789 50 0 HHAAMN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102568 569092052 /nfs/dbraw/zinc/09/20/52/569092052.db2.gz DXMYDAUEDJCUMW-HXUWFJFHSA-N 0 1 413.445 3.727 50 0 HHAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(F)c2)C[C@H](O)COC(C)C)C1 ZINC000036145802 569098363 /nfs/dbraw/zinc/09/83/63/569098363.db2.gz XNJBVESUFGJTCK-VXKWHMMOSA-N 0 1 414.521 3.915 50 0 HHAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1 ZINC000006752896 569111476 /nfs/dbraw/zinc/11/14/76/569111476.db2.gz GEVQOLLITDBYOU-QHCPKHFHSA-N 0 1 421.497 3.889 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2)CC1 ZINC000036341573 569141922 /nfs/dbraw/zinc/14/19/22/569141922.db2.gz ODWRDNJPDUPPOR-DEOSSOPVSA-N 0 1 404.558 3.619 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2)CC1 ZINC000036344284 569142482 /nfs/dbraw/zinc/14/24/82/569142482.db2.gz UODSEARDPMKNAY-XMMPIXPASA-N 0 1 404.558 3.619 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001725479 569144951 /nfs/dbraw/zinc/14/49/51/569144951.db2.gz ZAPUUYNFQUEIBP-UHFFFAOYSA-N 0 1 417.508 3.872 50 0 HHAAMN COc1cc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc(OC)c1 ZINC000065008973 569153328 /nfs/dbraw/zinc/15/33/28/569153328.db2.gz TYQIDBKMMAOVIT-UHFFFAOYSA-N 0 1 407.517 3.583 50 0 HHAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000006887831 569171410 /nfs/dbraw/zinc/17/14/10/569171410.db2.gz ZJIDRTSBTUTJKS-UHFFFAOYSA-N 0 1 416.455 3.539 50 0 HHAAMN O=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3ccc(Cl)cc3F)cc2C1 ZINC000065196237 569194574 /nfs/dbraw/zinc/19/45/74/569194574.db2.gz RIKLUBZTZUHXOW-UHFFFAOYSA-N 0 1 414.911 3.636 50 0 HHAAMN O=C1[C@H](NCc2ccc(N3CCCC3)nc2)CCN1c1ccccc1C(F)(F)F ZINC000170597912 569242222 /nfs/dbraw/zinc/24/22/22/569242222.db2.gz SSEARHHEKROFID-QGZVFWFLSA-N 0 1 404.436 3.596 50 0 HHAAMN Cc1[nH]c(SCC(=O)NCCc2ccc3c(c2)OCCO3)nc1Cc1ccccc1 ZINC000014044923 569258427 /nfs/dbraw/zinc/25/84/27/569258427.db2.gz VOZZBOHGSKDBKG-UHFFFAOYSA-N 0 1 423.538 3.531 50 0 HHAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2OC)cc1 ZINC000017056262 569272812 /nfs/dbraw/zinc/27/28/12/569272812.db2.gz BIDXGKKCLCIHJZ-OAHLLOKOSA-N 0 1 404.532 3.833 50 0 HHAAMN CCN(Cc1ccc(OC)c(F)c1)C(=O)CSc1nc2ccc(OC)cc2[nH]1 ZINC000007901433 569320289 /nfs/dbraw/zinc/32/02/89/569320289.db2.gz DPSOYZDGKYATEU-UHFFFAOYSA-N 0 1 403.479 3.860 50 0 HHAAMN COc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c(O)cc(C)oc2=O)cc1 ZINC000253470706 569381088 /nfs/dbraw/zinc/38/10/88/569381088.db2.gz AISGMWORNUOCDF-KRWDZBQOSA-N 0 1 423.421 3.552 50 0 HHAAMN O=C(Nc1ccc(F)cc1F)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012958167 569405343 /nfs/dbraw/zinc/40/53/43/569405343.db2.gz AVVVJRQEVCGIME-UHFFFAOYSA-N 0 1 415.830 3.555 50 0 HHAAMN CC[C@@H](C(=O)Nc1cccc(OC)c1)N1CCC(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000013353464 569411239 /nfs/dbraw/zinc/41/12/39/569411239.db2.gz SOYKFOSHRMINEH-SVMVAKDDSA-N 0 1 415.578 3.629 50 0 HHAAMN COc1ccc(CN2CCC(NC(=O)c3cn(C)c4ccccc34)CC2)cc1OC ZINC000079481527 569431831 /nfs/dbraw/zinc/43/18/31/569431831.db2.gz ZMTBSLUZXCNRRP-UHFFFAOYSA-N 0 1 407.514 3.590 50 0 HHAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067284194 571063179 /nfs/dbraw/zinc/06/31/79/571063179.db2.gz KKKGUZZYYUHHND-UHFFFAOYSA-N 0 1 404.518 3.690 50 0 HHAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2[nH]nnc2Nc2ccccc2F)CC1 ZINC000067284450 571063666 /nfs/dbraw/zinc/06/36/66/571063666.db2.gz FXXAYKFMROTOAW-UHFFFAOYSA-N 0 1 414.872 3.612 50 0 HHAAMN CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000040140082 571191135 /nfs/dbraw/zinc/19/11/35/571191135.db2.gz MUPZVYXOYYFTLU-UHFFFAOYSA-N 0 1 424.526 3.972 50 0 HHAAMN CC(C)(C)CCN1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000040157762 571204101 /nfs/dbraw/zinc/20/41/01/571204101.db2.gz UBWKGQOWMOELOK-UHFFFAOYSA-N 0 1 421.998 3.593 50 0 HHAAMN COc1ccccc1OCCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000069439358 571228082 /nfs/dbraw/zinc/22/80/82/571228082.db2.gz XYLIUCCNTRYXNG-UHFFFAOYSA-N 0 1 403.910 3.508 50 0 HHAAMN COc1cc([C@H]2c3c(C)[nH]nc3C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000009421649 571257240 /nfs/dbraw/zinc/25/72/40/571257240.db2.gz FCGMQZNTVSTJOE-QFIPXVFZSA-N 0 1 402.454 3.702 50 0 HHAAMN CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000009572458 571269089 /nfs/dbraw/zinc/26/90/89/571269089.db2.gz VKEBAANSSXOFPV-UHFFFAOYSA-N 0 1 401.467 3.900 50 0 HHAAMN COc1cc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)cc(OC)c1OC ZINC000071280445 571290664 /nfs/dbraw/zinc/29/06/64/571290664.db2.gz PLDVMPFODPXYBK-UHFFFAOYSA-N 0 1 404.426 3.903 50 0 HHAAMN CC1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036344411 571317446 /nfs/dbraw/zinc/31/74/46/571317446.db2.gz ILJBWGBJVXRBET-NRFANRHFSA-N 0 1 405.498 3.825 50 0 HHAAMN Cc1nc(CNC(=O)c2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)n[nH]1 ZINC000011662783 962158457 /nfs/dbraw/zinc/15/84/57/962158457.db2.gz CMLFOQHXZZXRPX-UHFFFAOYSA-N 0 1 401.348 3.870 50 0 HHAAMN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(-c3ccco3)c1)CC2 ZINC000011784282 962190322 /nfs/dbraw/zinc/19/03/22/962190322.db2.gz AMRHSHCXFPAKSN-OAQYLSRUSA-N 0 1 421.545 3.820 50 0 HHAAMN CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccoc1)CC2 ZINC000014531484 962525428 /nfs/dbraw/zinc/52/54/28/962525428.db2.gz MNOQXCSBOBZGGB-UHFFFAOYSA-N 0 1 403.482 3.862 50 0 HHAAMN Cc1cc(CN2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)n[nH]1 ZINC000015064301 962645798 /nfs/dbraw/zinc/64/57/98/962645798.db2.gz CNFINKXJSQCEGT-UHFFFAOYSA-N 0 1 404.514 3.692 50 0 HHAAMN CN(Cc1nc(-c2ccc(Cl)cc2)no1)CC1(N2CCOCC2)CCCCC1 ZINC000020323762 963387152 /nfs/dbraw/zinc/38/71/52/963387152.db2.gz XMVIQKDWRGOQKN-UHFFFAOYSA-N 0 1 404.942 3.857 50 0 HHAAMN O=C(/C=C/c1ccncc1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055054473 965746677 /nfs/dbraw/zinc/74/66/77/965746677.db2.gz BBXYBEHOABOWPP-WMWRJIBUSA-N 0 1 410.949 3.561 50 0 HHAAMN O=C(c1ccccc1OC1CCN(Cc2ccc3nonc3c2)CC1)N1CCCCC1 ZINC000055254011 965795975 /nfs/dbraw/zinc/79/59/75/965795975.db2.gz QKBUYCBGCNSPBP-UHFFFAOYSA-N 0 1 420.513 3.892 50 0 HHAAMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)s2)C[C@@H](C)O1 ZINC000084706107 969037722 /nfs/dbraw/zinc/03/77/22/969037722.db2.gz SYXJJCPLCGFMTF-OUONAIIESA-N 0 1 413.381 3.624 50 0 HHAAMN CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000005049459 132299433 /nfs/dbraw/zinc/29/94/33/132299433.db2.gz AYLSRRUIJRRKCC-UHFFFAOYSA-N 0 1 404.539 3.718 50 0 HHAAMN CSc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)c1 ZINC000006779713 132315873 /nfs/dbraw/zinc/31/58/73/132315873.db2.gz GTINMPVIJXZZRM-UHFFFAOYSA-N 0 1 412.920 3.608 50 0 HHAAMN S=c1oc(CN2CCCCC2)nn1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012787137 132367321 /nfs/dbraw/zinc/36/73/21/132367321.db2.gz IJZRPORGOPOKPB-UHFFFAOYSA-N 0 1 407.971 3.625 50 0 HHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1csc(Cc2ccccc2)n1 ZINC000025864471 132488226 /nfs/dbraw/zinc/48/82/26/132488226.db2.gz DLHGINKPDNVLMS-UHFFFAOYSA-N 0 1 420.582 3.676 50 0 HHAAMN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3cc(C)cc(C)c3)cc21 ZINC000040450217 519630393 /nfs/dbraw/zinc/63/03/93/519630393.db2.gz QQLFBWSKSLRRNU-UHFFFAOYSA-N 0 1 423.332 3.776 50 0 HHAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000020580757 523306525 /nfs/dbraw/zinc/30/65/25/523306525.db2.gz CBTNBHVVEJAOBI-UHFFFAOYSA-N 0 1 415.471 3.726 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1 ZINC000031891562 524648921 /nfs/dbraw/zinc/64/89/21/524648921.db2.gz MRHDOTOJVGHSFO-UHFFFAOYSA-N 0 1 424.478 3.683 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)cc1 ZINC000032610650 525088947 /nfs/dbraw/zinc/08/89/47/525088947.db2.gz LYYALIVHQPLDKB-UHFFFAOYSA-N 0 1 411.842 3.522 50 0 HHAAMN Cc1noc2ncnc(NCCCN3CCN(c4cc(Cl)ccc4C)CC3)c12 ZINC000020575188 526688858 /nfs/dbraw/zinc/68/88/58/526688858.db2.gz JCWHFMAIIRLYAC-UHFFFAOYSA-N 0 1 400.914 3.512 50 0 HHAAMN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCCN1CCc2ccccc2C1 ZINC000032355281 527618326 /nfs/dbraw/zinc/61/83/26/527618326.db2.gz IYJZXWPNBSXZCL-JLHYYAGUSA-N 0 1 413.521 3.848 50 0 HHAAMN COc1cc2ncc(C(=O)c3ccc(C)c(C)c3)c(N3CCN(C)CC3)c2cc1OC ZINC000002693357 536895166 /nfs/dbraw/zinc/89/51/66/536895166.db2.gz ONTDZDWWQZDGPS-UHFFFAOYSA-N 0 1 419.525 3.852 50 0 HHAAMN Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@H]1c1ccncc1 ZINC000000635215 557029133 /nfs/dbraw/zinc/02/91/33/557029133.db2.gz XJZAFMJCRHXMSW-NJYVYQBISA-N 0 1 403.413 3.580 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000000652124 557039012 /nfs/dbraw/zinc/03/90/12/557039012.db2.gz ISRWWUNLTRKPCC-UHFFFAOYSA-N 0 1 416.890 3.800 50 0 HHAAMN CC1=NC(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OC[C@@H]1CCCO1 ZINC000000861087 557103977 /nfs/dbraw/zinc/10/39/77/557103977.db2.gz BDDJLFJKCZNKKW-PZJWPPBQSA-N 0 1 408.454 3.829 50 0 biogenic HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)n1 ZINC000000917618 557117814 /nfs/dbraw/zinc/11/78/14/557117814.db2.gz PYSLSHYZMGMNRC-OAHLLOKOSA-N 0 1 410.499 3.718 50 0 HHAAMN CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001060008 557163309 /nfs/dbraw/zinc/16/33/09/557163309.db2.gz PFTNYGXOEAEAID-OAQYLSRUSA-N 0 1 404.470 3.524 50 0 aggregator HHAAMN O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002757079 557380362 /nfs/dbraw/zinc/38/03/62/557380362.db2.gz UPNCJAGKAHYGAH-YADHBBJMSA-N 0 1 404.510 3.587 50 0 HHAAMN CCCOc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCC(F)(F)C(F)(F)F)cc1 ZINC000004064575 557509172 /nfs/dbraw/zinc/50/91/72/557509172.db2.gz LUTSGRVECBVQAA-CQSZACIVSA-N 0 1 422.350 3.844 50 0 HHAAMN COc1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)cc1C ZINC000004126995 557517429 /nfs/dbraw/zinc/51/74/29/557517429.db2.gz FWOQHRQGZFOYSB-UHFFFAOYSA-N 0 1 418.603 3.587 50 0 HHAAMN CC1=NC(=O)N[C@H](c2cccc(OCc3ccccc3)c2)C1C(=O)OCCOC(C)C ZINC000004156644 557521200 /nfs/dbraw/zinc/52/12/00/557521200.db2.gz LIGHBPSQVLWRNY-JOCHJYFZSA-N 0 1 424.497 3.862 50 0 HHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)cc2Br)C1 ZINC000005715005 557669984 /nfs/dbraw/zinc/66/99/84/557669984.db2.gz JPTRSILQIARTDQ-AWEZNQCLSA-N 0 1 413.356 3.547 50 0 HHAAMN Cc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 ZINC000006973908 557731743 /nfs/dbraw/zinc/73/17/43/557731743.db2.gz CIGBKVDXQQOCAG-UHFFFAOYSA-N 0 1 419.304 3.979 50 0 HHAAMN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 ZINC000011789375 558277193 /nfs/dbraw/zinc/27/71/93/558277193.db2.gz LTGFDJYRRCCBDQ-UZLBHIALSA-N 0 1 418.488 3.612 50 0 HHAAMN CCc1n[nH]c(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(CC)nn43)c2=O)n1 ZINC000019821307 558290625 /nfs/dbraw/zinc/29/06/25/558290625.db2.gz SFJKITXGCUSAIS-UHFFFAOYSA-N 0 1 419.876 3.597 50 0 HHAAMN CCc1nc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(CC)nn43)c2=O)n[nH]1 ZINC000019821307 558290626 /nfs/dbraw/zinc/29/06/26/558290626.db2.gz SFJKITXGCUSAIS-UHFFFAOYSA-N 0 1 419.876 3.597 50 0 HHAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cccc(C)n3)CC2)c1 ZINC000011873309 558291145 /nfs/dbraw/zinc/29/11/45/558291145.db2.gz UAUZDURRCJZRKM-UHFFFAOYSA-N 0 1 409.530 3.678 50 0 HHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842050 558294316 /nfs/dbraw/zinc/29/43/16/558294316.db2.gz UNWXPWPWYIOSRQ-OAQYLSRUSA-N 0 1 401.501 3.760 50 0 HHAAMN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)no2)cc1 ZINC000011905211 558295821 /nfs/dbraw/zinc/29/58/21/558295821.db2.gz DEUUFNIMVICVOQ-JOCHJYFZSA-N 0 1 421.497 3.926 50 0 HHAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000011936475 558300405 /nfs/dbraw/zinc/30/04/05/558300405.db2.gz KIDWAHSOZDQFTR-GOSISDBHSA-N 0 1 419.481 3.909 50 0 HHAAMN O[C@H](COc1ccc(OCc2ccccc2)cc1)CN1CCN(c2ccccc2)CC1 ZINC000019898678 558304627 /nfs/dbraw/zinc/30/46/27/558304627.db2.gz LEQITQQPXXNOSW-DEOSSOPVSA-N 0 1 418.537 3.828 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)c(OC)c3)C[C@@H]2CCO)c(C)c1C ZINC000020211595 558347720 /nfs/dbraw/zinc/34/77/20/558347720.db2.gz RZSYFHNSQOFIGK-NRFANRHFSA-N 0 1 416.537 3.529 50 0 HHAAMN Cc1nc(-c2ccccc2)sc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000020426529 558362151 /nfs/dbraw/zinc/36/21/51/558362151.db2.gz HGDBRQOKVOGLNX-UHFFFAOYSA-N 0 1 412.603 3.799 50 0 HHAAMN C[C@H](CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1ccoc1)c1ccccn1 ZINC000020432299 558362633 /nfs/dbraw/zinc/36/26/33/558362633.db2.gz VSMFDKKIQXPUEK-HXUWFJFHSA-N 0 1 404.514 3.528 50 0 HHAAMN O=C(c1ccco1)N1CCC[C@H](COc2ccc(CN3CCSCC3)cc2)C1 ZINC000012283187 558365401 /nfs/dbraw/zinc/36/54/01/558365401.db2.gz ZRYYZRYBBUKQTH-IBGZPJMESA-N 0 1 400.544 3.760 50 0 HHAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000012299335 558369302 /nfs/dbraw/zinc/36/93/02/558369302.db2.gz IYKQQVYKRGEGBZ-NRFANRHFSA-N 0 1 416.522 3.516 50 0 HHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000020719921 558402604 /nfs/dbraw/zinc/40/26/04/558402604.db2.gz MZGBYYXCWRZACX-OAHLLOKOSA-N 0 1 403.446 3.758 50 0 HHAAMN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(CC(C)C)[nH]n2)C1 ZINC000012437707 558409553 /nfs/dbraw/zinc/40/95/53/558409553.db2.gz GPIWHBXDIVJCGJ-QHCPKHFHSA-N 0 1 415.509 3.776 50 0 HHAAMN COc1ccc(CC2(CO)CCN(Cc3cnn(-c4ccccc4OC)c3)CC2)cc1 ZINC000012463438 558419643 /nfs/dbraw/zinc/41/96/43/558419643.db2.gz VAEUHIIPPKZVPF-UHFFFAOYSA-N 0 1 421.541 3.707 50 0 HHAAMN CCn1cc(CN2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)cn1 ZINC000012573740 558430018 /nfs/dbraw/zinc/43/00/18/558430018.db2.gz WACMJJDOSNOZIP-UHFFFAOYSA-N 0 1 418.541 3.876 50 0 HHAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)o1 ZINC000012586595 558434154 /nfs/dbraw/zinc/43/41/54/558434154.db2.gz UPNQFMNVZIGERK-QFIPXVFZSA-N 0 1 412.559 3.767 50 0 HHAAMN CCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004354633 558439997 /nfs/dbraw/zinc/43/99/97/558439997.db2.gz SQTSIUNTNHMYKZ-NDENLUEZSA-N 0 1 420.444 3.681 50 0 HHAAMN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cnc(N)nc4)C3)cc2)c1 ZINC000012703266 558448527 /nfs/dbraw/zinc/44/85/27/558448527.db2.gz CCHYSMBBVDACRD-FQEVSTJZSA-N 0 1 417.513 3.585 50 0 HHAAMN CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccc(Cl)cc2s1 ZINC000004359195 558449611 /nfs/dbraw/zinc/44/96/11/558449611.db2.gz SPFODEXMJDIVPK-KRWDZBQOSA-N 0 1 417.918 3.684 50 0 HHAAMN COC(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(cccc3Cl)s2)cc1 ZINC000004359320 558451150 /nfs/dbraw/zinc/45/11/50/558451150.db2.gz WGFRYHGAWSXEDH-UHFFFAOYSA-N 0 1 417.918 3.945 50 0 HHAAMN CCc1ccc([C@@H](C)NCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1 ZINC000013039867 558506334 /nfs/dbraw/zinc/50/63/34/558506334.db2.gz AYTMVVOWBVRLHY-MRXNPFEDSA-N 0 1 414.575 3.720 50 0 HHAAMN CCN1CCN([C@@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000022787446 558511298 /nfs/dbraw/zinc/51/12/98/558511298.db2.gz WWVZESQVRBSWNQ-KRWDZBQOSA-N 0 1 408.571 3.852 50 0 HHAAMN O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022860279 558517453 /nfs/dbraw/zinc/51/74/53/558517453.db2.gz HQTANMYTJJULQY-SANMLTNESA-N 0 1 416.565 3.971 50 0 HHAAMN COCCN1CCN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000022932630 558524928 /nfs/dbraw/zinc/52/49/28/558524928.db2.gz QUUTWBYPJVWNSV-UHFFFAOYSA-N 0 1 406.530 3.643 50 0 HHAAMN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(CCO)CC2)cc1 ZINC000022956646 558528015 /nfs/dbraw/zinc/52/80/15/558528015.db2.gz PKWIVSSBPZUJQS-UHFFFAOYSA-N 0 1 413.525 3.510 50 0 HHAAMN COc1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc(OC)c1 ZINC000023282453 558547597 /nfs/dbraw/zinc/54/75/97/558547597.db2.gz GPROBVCGWZKAFV-UHFFFAOYSA-N 0 1 406.320 3.950 50 0 HHAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 ZINC000013768264 558591313 /nfs/dbraw/zinc/59/13/13/558591313.db2.gz ZVKBSENSURYYII-GMKZXUHWSA-N 0 1 400.563 3.812 50 0 HHAAMN Cc1[nH]c(SCC(=O)NCC(=O)Nc2cccc(C)c2C)nc1Cc1ccccc1 ZINC000004492617 558609668 /nfs/dbraw/zinc/60/96/68/558609668.db2.gz IZQKVSAVMQZDJK-UHFFFAOYSA-N 0 1 422.554 3.773 50 0 HHAAMN CCOC(=O)Nc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000014094523 558619483 /nfs/dbraw/zinc/61/94/83/558619483.db2.gz XMOPAPDNZLLJKW-OAQYLSRUSA-N 0 1 411.502 3.831 50 0 HHAAMN O=C(c1[nH]nc2ccccc21)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000014369135 558653615 /nfs/dbraw/zinc/65/36/15/558653615.db2.gz IVILCQNDBAOBJY-UHFFFAOYSA-N 0 1 403.511 3.644 50 0 HHAAMN C[C@@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000026173134 558656790 /nfs/dbraw/zinc/65/67/90/558656790.db2.gz WYTWCMWAKPFZQN-ZWKOTPCHSA-N 0 1 420.557 3.842 50 0 HHAAMN COCCCNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1CN(C)C ZINC000014878580 558675230 /nfs/dbraw/zinc/67/52/30/558675230.db2.gz KFQHQJWMUWDVDA-UHFFFAOYSA-N 0 1 413.543 3.556 50 0 HHAAMN CSc1cccc(NC(=O)COc2ccc(-c3ncccn3)cc2CN(C)C)c1 ZINC000014980045 558690858 /nfs/dbraw/zinc/69/08/58/558690858.db2.gz NUSCTCQTWGKGCP-UHFFFAOYSA-N 0 1 408.527 3.945 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000028813623 558705002 /nfs/dbraw/zinc/70/50/02/558705002.db2.gz IUMOKGOAPYOPNC-UHFFFAOYSA-N 0 1 404.271 3.754 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000015063597 558706124 /nfs/dbraw/zinc/70/61/24/558706124.db2.gz MLRWHIWOXVKHMI-XMMPIXPASA-N 0 1 412.505 3.977 50 0 HHAAMN O=C(/C=C/c1ccc(Br)cc1)NCC1(N2CCOCC2)CCCCC1 ZINC000029968367 558725072 /nfs/dbraw/zinc/72/50/72/558725072.db2.gz KDJWZZWNKXNZOJ-RMKNXTFCSA-N 0 1 407.352 3.614 50 0 HHAAMN Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)o1 ZINC000015860227 558757915 /nfs/dbraw/zinc/75/79/15/558757915.db2.gz GTOLJQIQJYCRNP-QGZVFWFLSA-N 0 1 407.308 3.683 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 ZINC000017877097 558828451 /nfs/dbraw/zinc/82/84/51/558828451.db2.gz XDCHNQLTNPMICR-UHFFFAOYSA-N 0 1 402.863 3.643 50 0 HHAAMN CSCCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055037119 558870335 /nfs/dbraw/zinc/87/03/35/558870335.db2.gz AKFQZPKAIISOFW-SFHVURJKSA-N 0 1 415.525 3.572 50 0 HHAAMN COc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1C ZINC000055269662 558877897 /nfs/dbraw/zinc/87/78/97/558877897.db2.gz XHJZYLIVCQOCBV-QFIPXVFZSA-N 0 1 411.521 3.570 50 0 HHAAMN COc1ccc(CC(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1OC ZINC000058135420 558900839 /nfs/dbraw/zinc/90/08/39/558900839.db2.gz CXXDFMNQZJBKGJ-UHFFFAOYSA-N 0 1 400.544 3.742 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c(Cl)c1 ZINC000058159177 558904340 /nfs/dbraw/zinc/90/43/40/558904340.db2.gz CVLFRALNGDKAGF-UHFFFAOYSA-N 0 1 417.874 3.735 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccccc2C(F)(F)F)n1 ZINC000072140572 558929278 /nfs/dbraw/zinc/92/92/78/558929278.db2.gz AYDNFSNEJYSARX-UHFFFAOYSA-N 0 1 407.440 3.636 50 0 HHAAMN CCOc1ccccc1NC(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1 ZINC000065364721 558975818 /nfs/dbraw/zinc/97/58/18/558975818.db2.gz ZDZLKWQYMYFJDV-UHFFFAOYSA-N 0 1 424.549 3.528 50 0 HHAAMN C[C@@H](CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1 ZINC000072426659 558978819 /nfs/dbraw/zinc/97/88/19/558978819.db2.gz LCZURGNBKGLBAW-SFHVURJKSA-N 0 1 408.546 3.888 50 0 HHAAMN C[C@H](NCC(=O)Nc1cccc(Br)c1)c1ccc(N2CCOC2=O)cc1 ZINC000097033182 558988239 /nfs/dbraw/zinc/98/82/39/558988239.db2.gz OZHRQBYESYDKJN-ZDUSSCGKSA-N 0 1 418.291 3.695 50 0 HHAAMN Cc1cc(C)n2nc(C(=O)N3CCC(c4[nH]ncc4-c4ccccc4)CC3)cc2n1 ZINC000067868509 558994190 /nfs/dbraw/zinc/99/41/90/558994190.db2.gz ROVBAJNRGFRGSS-UHFFFAOYSA-N 0 1 400.486 3.756 50 0 HHAAMN CC(C)Cn1c(CC2(CC(=O)N3[C@@H]4CC[C@H]3CNC4)CCCC2)nc2cccnc21 ZINC000077485866 559006977 /nfs/dbraw/zinc/00/69/77/559006977.db2.gz MMLUZZPXCFKKRR-KDURUIRLSA-N 0 1 409.578 3.543 50 0 HHAAMN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000023157102 559022194 /nfs/dbraw/zinc/02/21/94/559022194.db2.gz GORXPHWEBICPED-FHSNZYRGSA-N 0 1 416.547 3.889 50 0 HHAAMN CC(C)c1ccccc1OCCOC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023224724 559062777 /nfs/dbraw/zinc/06/27/77/559062777.db2.gz BJJUCJKMXSKHPE-JOCHJYFZSA-N 0 1 416.537 3.528 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000011614665 559114489 /nfs/dbraw/zinc/11/44/89/559114489.db2.gz LHZMVNABBQZLCS-SFHVURJKSA-N 0 1 400.837 3.692 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000011614666 559114515 /nfs/dbraw/zinc/11/45/15/559114515.db2.gz LHZMVNABBQZLCS-GOSISDBHSA-N 0 1 400.837 3.692 50 0 HHAAMN C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000248024720 559119544 /nfs/dbraw/zinc/11/95/44/559119544.db2.gz KWNJDAAJXUHYPI-VAMGGRTRSA-N 0 1 411.512 3.850 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C)[nH]1)C[C@@H](C)CC2 ZINC000011658421 559123364 /nfs/dbraw/zinc/12/33/64/559123364.db2.gz LKELMTASKYKBDI-UWVGGRQHSA-N 0 1 408.549 3.595 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc(C)n[nH]1)C[C@@H](C)CC2 ZINC000011658421 559123366 /nfs/dbraw/zinc/12/33/66/559123366.db2.gz LKELMTASKYKBDI-UWVGGRQHSA-N 0 1 408.549 3.595 50 0 HHAAMN COCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(F)cc1 ZINC000004927803 559208217 /nfs/dbraw/zinc/20/82/17/559208217.db2.gz QGJIIRKXFZDCRN-UHFFFAOYSA-N 0 1 415.490 3.746 50 0 HHAAMN FC(F)(F)COc1cccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000408512857 559212618 /nfs/dbraw/zinc/21/26/18/559212618.db2.gz XSORDCZQDDDPQQ-UHFFFAOYSA-N 0 1 410.440 3.596 50 0 HHAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)cc(C)c3O)c2[C@@H]1c1cccc(O)c1 ZINC000005200938 560537771 /nfs/dbraw/zinc/53/77/71/560537771.db2.gz RSNGQFUDEOTVGG-NRFANRHFSA-N 0 1 407.470 3.686 50 0 HHAAMN COc1ccc([C@H]2NCC3(CCCC3)c3cc4c(cc32)OCCO4)c(OC)c1OC ZINC000003154374 560588273 /nfs/dbraw/zinc/58/82/73/560588273.db2.gz VLWMWNBLVLEQJO-OAQYLSRUSA-N 0 1 411.498 3.988 50 0 HHAAMN Cc1cc(C)nc(SCc2ccc(C(=O)NN3Cc4ccccc4C3=N)cc2)n1 ZINC000102150180 560808238 /nfs/dbraw/zinc/80/82/38/560808238.db2.gz OGBNRINTBTVOJJ-UHFFFAOYSA-N 0 1 403.511 3.872 50 0 HHAAMN CCc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)NC(=O)C(F)(F)F)cc1 ZINC000005717294 560842465 /nfs/dbraw/zinc/84/24/65/560842465.db2.gz CHWZAKRTENTIIM-HNNXBMFYSA-N 0 1 408.376 3.726 50 0 HHAAMN CC(C)(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982480 560858787 /nfs/dbraw/zinc/85/87/87/560858787.db2.gz DQFGLAYYLOBEOW-FGZHOGPDSA-N 0 1 414.521 3.997 50 0 HHAAMN COC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983847 560858911 /nfs/dbraw/zinc/85/89/11/560858911.db2.gz SWEBFGJOZJHYJF-VQTJNVASSA-N 0 1 423.340 3.996 50 0 HHAAMN CC(C)CN1CCO[C@H](COC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000213852290 560879462 /nfs/dbraw/zinc/87/94/62/560879462.db2.gz PKYQEWRLPTUHMQ-HHMVEJHFSA-N 0 1 410.514 3.574 50 0 HHAAMN CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cccs1 ZINC000047588555 560892605 /nfs/dbraw/zinc/89/26/05/560892605.db2.gz GODQZBNFFDDDHB-INIZCTEOSA-N 0 1 406.939 3.718 50 0 HHAAMN COc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)nc(C)n1 ZINC000012226240 560894979 /nfs/dbraw/zinc/89/49/79/560894979.db2.gz UIJUIBMSOGLOMJ-UHFFFAOYSA-N 0 1 406.414 3.616 50 0 HHAAMN O=C(NC1CCCCCCC1)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000046017288 568423750 /nfs/dbraw/zinc/42/37/50/568423750.db2.gz OIMJFAGEWOPTMX-GOSISDBHSA-N 0 1 409.534 3.553 50 0 HHAAMN CCCc1nn2c(nc(CN(CCC)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032475 568424744 /nfs/dbraw/zinc/42/47/44/568424744.db2.gz JPPBTHCWMSALNA-UHFFFAOYSA-N 0 1 400.548 3.914 50 0 HHAAMN CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000048184594 568432476 /nfs/dbraw/zinc/43/24/76/568432476.db2.gz WNQAZXYDEHVLSD-VLIAUNLRSA-N 0 1 403.523 3.684 50 0 HHAAMN COc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(N4CCCCC4=O)c3)[nH]n2)c1 ZINC000049505647 568452317 /nfs/dbraw/zinc/45/23/17/568452317.db2.gz MHPYDHYNAFGSGQ-UHFFFAOYSA-N 0 1 420.469 3.863 50 0 HHAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1ccc(C)cc1C ZINC000005684007 568453701 /nfs/dbraw/zinc/45/37/01/568453701.db2.gz CJXOAGXWEGLPEC-UHFFFAOYSA-N 0 1 402.472 3.771 50 0 HHAAMN CCOc1cc2[n-]c(=S)n(CC[N@H+]3CCCC[C@H]3CC)c(=O)c2cc1OCC ZINC000020644601 568639038 /nfs/dbraw/zinc/63/90/38/568639038.db2.gz DIWHXHHRBNIPKP-OAHLLOKOSA-N 0 1 405.564 3.747 50 0 HHAAMN O=C(CCc1ccc(Cl)cc1Cl)N[C@@H](c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000225584237 568654455 /nfs/dbraw/zinc/65/44/55/568654455.db2.gz HVXBLIXOXAUDHJ-MRXNPFEDSA-N 0 1 412.227 3.623 50 0 HHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c(C)n1C ZINC000020989981 568655611 /nfs/dbraw/zinc/65/56/11/568655611.db2.gz XFPXJKFUABQYQP-UHFFFAOYSA-N 0 1 403.548 3.767 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cc(C)ccc2C)c(C)n1C ZINC000021030321 568659346 /nfs/dbraw/zinc/65/93/46/568659346.db2.gz VHWPHCIQJHRDFR-UHFFFAOYSA-N 0 1 417.575 3.932 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)n1C ZINC000021030374 568659376 /nfs/dbraw/zinc/65/93/76/568659376.db2.gz MIYNTMGLFCWFBX-UHFFFAOYSA-N 0 1 417.575 3.932 50 0 HHAAMN COC(=O)[C@H]1CCCCC[C@H]1NCc1nnc(-c2ccccc2Br)o1 ZINC000095941466 568661951 /nfs/dbraw/zinc/66/19/51/568661951.db2.gz FLZVHNUJTMWTCM-DZGCQCFKSA-N 0 1 408.296 3.711 50 0 HHAAMN COc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1OC ZINC000021097258 568665027 /nfs/dbraw/zinc/66/50/27/568665027.db2.gz VKIDXJSIEAUYPC-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN COc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c(OC)c1 ZINC000021097182 568665066 /nfs/dbraw/zinc/66/50/66/568665066.db2.gz OPYNLYZHLLYERM-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccccc1C(F)(F)F ZINC000021117344 568669356 /nfs/dbraw/zinc/66/93/56/568669356.db2.gz KLEXARHAFNKTFY-UHFFFAOYSA-N 0 1 415.418 3.548 50 0 HHAAMN CCOC(=O)c1cc(C)cc(Br)c1NS(=O)(=O)c1cccs1 ZINC000095960861 568670110 /nfs/dbraw/zinc/67/01/10/568670110.db2.gz DFBKXPGQDZZIAP-UHFFFAOYSA-N 0 1 404.307 3.797 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n1C ZINC000021154183 568673114 /nfs/dbraw/zinc/67/31/14/568673114.db2.gz QSBITSWUZBORDP-UHFFFAOYSA-N 0 1 407.511 3.516 50 0 HHAAMN C[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)[C@H](C)CN1Cc1ccccc1 ZINC000095980594 568675337 /nfs/dbraw/zinc/67/53/37/568675337.db2.gz GCCSGAHCZZOYRH-SFHLNBCPSA-N 0 1 409.530 3.981 50 0 HHAAMN C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)cc2F)C[C@@H](C)O1 ZINC000229762448 568715240 /nfs/dbraw/zinc/71/52/40/568715240.db2.gz PRPMLKFYHNBGTJ-SPYBWZPUSA-N 0 1 420.554 3.925 50 0 HHAAMN Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@H]1c1ccncc1 ZINC000238950269 568727292 /nfs/dbraw/zinc/72/72/92/568727292.db2.gz XJZAFMJCRHXMSW-HBMCJLEFSA-N 0 1 403.413 3.580 50 0 HHAAMN CCc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324696 568734261 /nfs/dbraw/zinc/73/42/61/568734261.db2.gz BQZMJMYEUSCIPE-UHFFFAOYSA-N 0 1 403.486 3.525 50 0 HHAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)c1 ZINC000096379647 568741247 /nfs/dbraw/zinc/74/12/47/568741247.db2.gz SKVCVPFGADVIDR-UHFFFAOYSA-N 0 1 400.460 3.562 50 0 HHAAMN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)o2)n[nH]1 ZINC000096386737 568743351 /nfs/dbraw/zinc/74/33/51/568743351.db2.gz XPDZTEYAGOYLAQ-UHFFFAOYSA-N 0 1 401.366 3.986 50 0 HHAAMN CC(C)c1n[nH]c(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)n1 ZINC000018955627 568744558 /nfs/dbraw/zinc/74/45/58/568744558.db2.gz DPXNVOHAFONUIY-GOSISDBHSA-N 0 1 404.536 3.695 50 0 HHAAMN CC(C)c1nc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)n[nH]1 ZINC000018955627 568744560 /nfs/dbraw/zinc/74/45/60/568744560.db2.gz DPXNVOHAFONUIY-GOSISDBHSA-N 0 1 404.536 3.695 50 0 HHAAMN O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccc(Cl)cc1 ZINC000018992284 568745077 /nfs/dbraw/zinc/74/50/77/568745077.db2.gz RFLQQESUSCVNJU-MRXNPFEDSA-N 0 1 412.854 3.864 50 0 HHAAMN O=C(/C=C\c1ccccc1Br)NCC1(N2CCOCC2)CCCCC1 ZINC000096401194 568750152 /nfs/dbraw/zinc/75/01/52/568750152.db2.gz UXANOHMFASJONV-HJWRWDBZSA-N 0 1 407.352 3.614 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)n1 ZINC000000945098 568754502 /nfs/dbraw/zinc/75/45/02/568754502.db2.gz GMJXPDIHBNUNJW-UHFFFAOYSA-N 0 1 422.919 3.861 50 0 HHAAMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccco1 ZINC000001095257 568769504 /nfs/dbraw/zinc/76/95/04/568769504.db2.gz XAJVDBGDAIBATR-UHFFFAOYSA-N 0 1 420.082 3.637 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N1CCc2ccccc21 ZINC000002623750 568788579 /nfs/dbraw/zinc/78/85/79/568788579.db2.gz VIVKWKYSHFVAJF-UHFFFAOYSA-N 0 1 415.316 3.916 50 0 HHAAMN CC(C)CCNC(=O)c1cc(C(=O)c2cc(F)ccc2O)cn(CCC(C)C)c1=O ZINC000002647117 568795365 /nfs/dbraw/zinc/79/53/65/568795365.db2.gz WOZKGPLALVPQRJ-UHFFFAOYSA-N 0 1 416.493 3.746 50 0 HHAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)n[nH]2)c(OC)c1 ZINC000057477150 568839555 /nfs/dbraw/zinc/83/95/55/568839555.db2.gz WOLOJGAWKJBLJK-UHFFFAOYSA-N 0 1 420.513 3.673 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccs2)c1 ZINC000012536318 568845864 /nfs/dbraw/zinc/84/58/64/568845864.db2.gz OETGXGRLTJGZRN-UHFFFAOYSA-N 0 1 416.524 3.830 50 0 HHAAMN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000012539303 568846912 /nfs/dbraw/zinc/84/69/12/568846912.db2.gz FHRJNOGMWCVIMN-UHFFFAOYSA-N 0 1 405.389 3.816 50 0 HHAAMN C[C@@H]1CN(CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@@H](C)O1 ZINC000012544215 568849526 /nfs/dbraw/zinc/84/95/26/568849526.db2.gz DUUNTDYLEABOFZ-QZTJIDSGSA-N 0 1 404.514 3.526 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NCc1cccs1 ZINC000003361597 568857211 /nfs/dbraw/zinc/85/72/11/568857211.db2.gz LOYOFUMXUDTEQM-UHFFFAOYSA-N 0 1 409.334 3.704 50 0 HHAAMN CN(C)S(=O)(=O)c1ccc(OCCSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000012733068 568923102 /nfs/dbraw/zinc/92/31/02/568923102.db2.gz HALONNNXNCCNMY-UHFFFAOYSA-N 0 1 411.936 3.638 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC(C)(C)C)ccc2OC)cc1 ZINC000012740184 568927026 /nfs/dbraw/zinc/92/70/26/568927026.db2.gz IAZKLRWOATZAHJ-UHFFFAOYSA-N 0 1 406.504 3.879 50 0 HHAAMN O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000670463573 568961064 /nfs/dbraw/zinc/96/10/64/568961064.db2.gz OTDJAEQUMOLNRZ-UHFFFAOYSA-N 0 1 414.868 3.524 50 0 HHAAMN CCc1ccccc1Nc1nc(N)nc(CSc2nc(-c3cccs3)n[nH]2)n1 ZINC000008089567 568973485 /nfs/dbraw/zinc/97/34/85/568973485.db2.gz IIIACTBXCPUYLX-UHFFFAOYSA-N 0 1 410.532 3.899 50 0 HHAAMN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc1 ZINC000008162716 568979314 /nfs/dbraw/zinc/97/93/14/568979314.db2.gz XPWWYWJOHHYLKN-UHFFFAOYSA-N 0 1 421.950 3.881 50 0 HHAAMN O=C(Cn1c2ccccc2nc1-c1cscn1)NC[C@H](c1ccco1)N1CCCC1 ZINC000008338273 568993247 /nfs/dbraw/zinc/99/32/47/568993247.db2.gz VDIIYSDCYDXWOA-LJQANCHMSA-N 0 1 421.526 3.706 50 0 HHAAMN COc1ccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)cc1C ZINC000104539062 569009013 /nfs/dbraw/zinc/00/90/13/569009013.db2.gz VVVGLEUFUMRMIO-HSZRJFAPSA-N 0 1 405.542 3.621 50 0 HHAAMN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000006270619 569009391 /nfs/dbraw/zinc/00/93/91/569009391.db2.gz VXGCGAFNFTUPKZ-UHFFFAOYSA-N 0 1 422.388 3.549 50 0 HHAAMN CCOC(=O)c1sc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)nc1C ZINC000036409595 569012769 /nfs/dbraw/zinc/01/27/69/569012769.db2.gz HYMYBAAGDWXACM-UHFFFAOYSA-N 0 1 410.908 3.889 50 0 HHAAMN CC(=O)c1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000015864783 569016625 /nfs/dbraw/zinc/01/66/25/569016625.db2.gz UJYYXPTXCJEQIO-UHFFFAOYSA-N 0 1 423.494 3.954 50 0 HHAAMN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1csc2ccccc21)N(C)C ZINC000575621584 569038906 /nfs/dbraw/zinc/03/89/06/569038906.db2.gz PUIUAONJEJRXBJ-KRWDZBQOSA-N 0 1 413.568 3.981 50 0 HHAAMN CC(C)(C)c1ccc(C(=O)NCCC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000006432545 569050462 /nfs/dbraw/zinc/05/04/62/569050462.db2.gz ZXDYIVYMJBOSMY-FQEVSTJZSA-N 0 1 411.546 3.650 50 0 HHAAMN COc1cc(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C2CC2)c(OC)cc1Cl ZINC000089420789 569060161 /nfs/dbraw/zinc/06/01/61/569060161.db2.gz YFSZENZHCWRGEG-IBGZPJMESA-N 0 1 418.921 3.569 50 0 HHAAMN C[C@@H](C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)N1CCCCCC1 ZINC000089448644 569060564 /nfs/dbraw/zinc/06/05/64/569060564.db2.gz PIEZLAUTRCTMJL-ROUUACIJSA-N 0 1 404.555 3.851 50 0 HHAAMN NC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(Cl)cc3[nH]1)CCC2 ZINC000006537460 569064398 /nfs/dbraw/zinc/06/43/98/569064398.db2.gz BZGOIGHRJRZUAJ-UHFFFAOYSA-N 0 1 406.920 3.596 50 0 HHAAMN CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)[N@H+]3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036104770 569092677 /nfs/dbraw/zinc/09/26/77/569092677.db2.gz GSVMYPGTTWPJRD-SCLBCKFNSA-N 0 1 416.547 3.897 50 0 HHAAMN CCNc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc(C)[nH+]1 ZINC000064801756 569097939 /nfs/dbraw/zinc/09/79/39/569097939.db2.gz RVNINFVCYRLVHD-UHFFFAOYSA-N 0 1 401.467 3.900 50 0 HHAAMN CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145896 569098505 /nfs/dbraw/zinc/09/85/05/569098505.db2.gz FCTWSSQCXSTXJF-RTWAWAEBSA-N 0 1 402.922 3.733 50 0 HHAAMN O[C@H](COCc1ccco1)CN(CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147639 569098573 /nfs/dbraw/zinc/09/85/73/569098573.db2.gz MEBPLAYPCJMECK-IBGZPJMESA-N 0 1 423.469 3.545 50 0 HHAAMN CCCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340660 569141610 /nfs/dbraw/zinc/14/16/10/569141610.db2.gz CDWSFTNBUDHBBM-JOCHJYFZSA-N 0 1 410.606 3.920 50 0 HHAAMN CC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036340460 569141671 /nfs/dbraw/zinc/14/16/71/569141671.db2.gz KXUUGFXANVSBBF-HSZRJFAPSA-N 0 1 416.569 3.936 50 0 HHAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000006887696 569171180 /nfs/dbraw/zinc/17/11/80/569171180.db2.gz KYPDCJAPSNPDCU-UHFFFAOYSA-N 0 1 400.456 3.970 50 0 HHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C ZINC000065115977 569179660 /nfs/dbraw/zinc/17/96/60/569179660.db2.gz IBCUXAICDTWYSK-UHFFFAOYSA-N 0 1 415.471 3.726 50 0 HHAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000065116238 569179676 /nfs/dbraw/zinc/17/96/76/569179676.db2.gz JKMMWCHOOAZZEZ-UHFFFAOYSA-N 0 1 415.471 3.672 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935340 569186077 /nfs/dbraw/zinc/18/60/77/569186077.db2.gz SRLZEYYOCYHDBG-AWEZNQCLSA-N 0 1 400.500 3.574 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n2C)o1 ZINC000065186519 569192055 /nfs/dbraw/zinc/19/20/55/569192055.db2.gz CZWHOQBESZCYPB-UHFFFAOYSA-N 0 1 412.874 3.848 50 0 HHAAMN Fc1cc(F)cc(CN2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257948 569209928 /nfs/dbraw/zinc/20/99/28/569209928.db2.gz YNYDBMINJCBFNT-UHFFFAOYSA-N 0 1 411.456 4.000 50 0 HHAAMN CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000007054518 569214306 /nfs/dbraw/zinc/21/43/06/569214306.db2.gz AYAHAVOIURRFOL-UHFFFAOYSA-N 0 1 416.952 3.561 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000007056582 569214556 /nfs/dbraw/zinc/21/45/56/569214556.db2.gz COFHIUXLAXXXTK-UHFFFAOYSA-N 0 1 400.300 3.929 50 0 HHAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)n2)cc1 ZINC000007209182 569228536 /nfs/dbraw/zinc/22/85/36/569228536.db2.gz BYKLILOZTDBZIR-CQSZACIVSA-N 0 1 407.499 3.636 50 0 HHAAMN COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccncc3)N3CCCCC3)c2=O)cc1 ZINC000016993494 569270892 /nfs/dbraw/zinc/27/08/92/569270892.db2.gz LHRMIDXGIPJPJZ-DEOSSOPVSA-N 0 1 419.525 3.890 50 0 HHAAMN COc1ccc2c(c1)CCCN2C(=O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000170640036 569282014 /nfs/dbraw/zinc/28/20/14/569282014.db2.gz KCVQSWPTQSODNK-UHFFFAOYSA-N 0 1 416.453 3.830 50 0 HHAAMN COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccc(Br)cc1)N(C)CC3)OCO2 ZINC000012660830 569402553 /nfs/dbraw/zinc/40/25/53/569402553.db2.gz BVCMOJHQNDYZII-JKSUJKDBSA-N 0 1 420.303 3.839 50 0 biogenic HHAAMN COC1CCN(CCNC(=O)c2ccccc2SCc2csc(C)n2)CC1 ZINC000079026227 569424907 /nfs/dbraw/zinc/42/49/07/569424907.db2.gz NCHWXXLYHASOPK-UHFFFAOYSA-N 0 1 405.589 3.584 50 0 HHAAMN CC(C)(C)OC(=O)N1CCc2cccc(CNCc3cccnc3-n3cccn3)c21 ZINC000079097383 569427263 /nfs/dbraw/zinc/42/72/63/569427263.db2.gz HMTUDXNOJQEZCL-UHFFFAOYSA-N 0 1 405.502 3.855 50 0 HHAAMN Cc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C ZINC000067284568 571063557 /nfs/dbraw/zinc/06/35/57/571063557.db2.gz FURNOJFAZHHMEW-UHFFFAOYSA-N 0 1 410.909 3.781 50 0 HHAAMN CN(Cc1nc2ccccc2s1)C(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000008528123 571074313 /nfs/dbraw/zinc/07/43/13/571074313.db2.gz JGPKTYLCIIHDEO-UHFFFAOYSA-N 0 1 401.542 3.894 50 0 HHAAMN COc1ccc(OC)c(NC(=S)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000008566615 571082078 /nfs/dbraw/zinc/08/20/78/571082078.db2.gz ACJHPMJPAHMGAR-FQEVSTJZSA-N 0 1 412.490 3.911 50 0 HHAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c1 ZINC000008608293 571093100 /nfs/dbraw/zinc/09/31/00/571093100.db2.gz SGIFRHLSYPSQQJ-UHFFFAOYSA-N 0 1 416.455 3.636 50 0 HHAAMN [O-][C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777810 571118466 /nfs/dbraw/zinc/11/84/66/571118466.db2.gz ZKMAAHHVFDJQII-UGSOOPFHSA-N 0 1 418.400 3.689 50 0 HHAAMN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000008893340 571143185 /nfs/dbraw/zinc/14/31/85/571143185.db2.gz NSGYVSSOAFRYKG-GOSISDBHSA-N 0 1 407.486 3.698 50 0 HHAAMN O=C(NC[C@H]1COc2ccccc2O1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000040071265 571152026 /nfs/dbraw/zinc/15/20/26/571152026.db2.gz FKCSBPQDCPOYHM-FDDCHVKYSA-N 0 1 414.465 3.792 50 0 HHAAMN COc1ccc(CN2CNc3c(c(=O)[nH]c(=S)n3-c3cccc(Cl)c3)C2)cc1 ZINC000008974920 571197857 /nfs/dbraw/zinc/19/78/57/571197857.db2.gz YOWJHBBNMZTZHJ-UHFFFAOYSA-N 0 1 414.918 3.568 50 0 HHAAMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000040156745 571203639 /nfs/dbraw/zinc/20/36/39/571203639.db2.gz GWRWQOJKXBPHKA-UHFFFAOYSA-N 0 1 404.429 3.597 50 0 HHAAMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000040156744 571203783 /nfs/dbraw/zinc/20/37/83/571203783.db2.gz UNEHFJXLAGJXIA-UHFFFAOYSA-N 0 1 405.322 3.885 50 0 HHAAMN CCN1CCC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)C1 ZINC000040157633 571204142 /nfs/dbraw/zinc/20/41/42/571204142.db2.gz TZAHRJAUVGLPAW-ZDUSSCGKSA-N 0 1 400.832 3.759 50 0 HHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009170142 571233699 /nfs/dbraw/zinc/23/36/99/571233699.db2.gz ZJDFWZGWHCDDIP-UHFFFAOYSA-N 0 1 418.515 3.576 50 0 HHAAMN O=S(=O)(NCC1CCN(c2nc3ccccc3s2)CC1)c1c(F)cccc1F ZINC000070923600 571281991 /nfs/dbraw/zinc/28/19/91/571281991.db2.gz RANUOEXGWKFSOQ-UHFFFAOYSA-N 0 1 423.510 3.769 50 0 HHAAMN COc1ccc(CN(CC(=O)NCC(F)(F)F)[C@H](C)Cc2cccs2)cc1 ZINC000009863680 571288819 /nfs/dbraw/zinc/28/88/19/571288819.db2.gz WXGZGGKCKUQDHZ-CQSZACIVSA-N 0 1 400.466 3.868 50 0 HHAAMN CCn1c2ccc(NC(=O)CSc3nc4ccc(C)cc4[nH]3)cc2n(CC)c1=O ZINC000010006447 571293923 /nfs/dbraw/zinc/29/39/23/571293923.db2.gz KQXQUOODWZEZRB-UHFFFAOYSA-N 0 1 409.515 3.758 50 0 HHAAMN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2[nH]1 ZINC000078477902 571313480 /nfs/dbraw/zinc/31/34/80/571313480.db2.gz SKDHXMULSYFBCZ-UHFFFAOYSA-N 0 1 401.488 3.823 50 0 HHAAMN C=CCCN1C(=O)NC(=Cc2c(Cc3cccs3)[nH]n(-c3ccccc3)c2=O)C1=O ZINC000016534198 571313760 /nfs/dbraw/zinc/31/37/60/571313760.db2.gz XDSVGSFVGUFJHH-RGEXLXHISA-N 0 1 420.494 3.699 50 0 HHAAMN CCN1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098294 571314753 /nfs/dbraw/zinc/31/47/53/571314753.db2.gz LNGFFJDPZYEZGH-DEOSSOPVSA-N 0 1 421.541 3.539 50 0 aggregator HHAAMN OCC1(CCOc2ccccc2)CCN(Cc2cnc(N3CCCC3)s2)CC1 ZINC000011873532 962205232 /nfs/dbraw/zinc/20/52/32/962205232.db2.gz LSZKXUYLQHIXDD-UHFFFAOYSA-N 0 1 401.576 3.787 50 0 HHAAMN C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000012218716 962256481 /nfs/dbraw/zinc/25/64/81/962256481.db2.gz OPWYJCANLDKKDT-MRXNPFEDSA-N 0 1 424.570 3.789 50 0 HHAAMN CC(C)c1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)n[nH]1 ZINC000012302351 962268974 /nfs/dbraw/zinc/26/89/74/962268974.db2.gz UOIPLOQJNZMPQQ-UHFFFAOYSA-N 0 1 406.534 3.748 50 0 HHAAMN COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c(OC)c1 ZINC000012711015 962315484 /nfs/dbraw/zinc/31/54/84/962315484.db2.gz HWJUQWVCXZFCDW-HMHJJOSWSA-N 0 1 422.525 3.650 50 0 HHAAMN O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000012754458 962324884 /nfs/dbraw/zinc/32/48/84/962324884.db2.gz GVTWWAKVYFSOGJ-HNNXBMFYSA-N 0 1 409.511 3.667 50 0 HHAAMN Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3cccs3)c2)n(C)n1 ZINC000014878628 962597641 /nfs/dbraw/zinc/59/76/41/962597641.db2.gz SVMLTTAWKKPLMG-QGZVFWFLSA-N 0 1 412.559 3.619 50 0 HHAAMN COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745119 963375082 /nfs/dbraw/zinc/37/50/82/963375082.db2.gz WTQQWFDYLVQIKA-HSZRJFAPSA-N 0 1 408.542 3.929 50 0 HHAAMN COc1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)ccc1F ZINC000020234053 963386194 /nfs/dbraw/zinc/38/61/94/963386194.db2.gz PIBJGTDDZKGXKY-WXVUKLJWSA-N 0 1 410.489 3.781 50 0 HHAAMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C\c2ccc(Br)s2)C[C@H](C)O1 ZINC000098055413 969186919 /nfs/dbraw/zinc/18/69/19/969186919.db2.gz SYXJJCPLCGFMTF-WUAZGKCJSA-N 0 1 413.381 3.624 50 0 HHAAMN O=C1c2ccccc2C(=CNc2ncnc3[nH]cnc32)C(=O)N1c1cccc(Cl)c1 ZINC000105321482 969230675 /nfs/dbraw/zinc/23/06/75/969230675.db2.gz YYWNWWHUMNPLFL-CXUHLZMHSA-N 0 1 416.828 3.646 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2 ZINC000006779544 132315606 /nfs/dbraw/zinc/31/56/06/132315606.db2.gz NWQBOKYTPFYROP-CYBMUJFWSA-N 0 1 406.529 3.733 50 0 HHAAMN COc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000012543473 132362647 /nfs/dbraw/zinc/36/26/47/132362647.db2.gz VHRPGSYVZOWCIZ-UHFFFAOYSA-N 0 1 407.436 3.647 50 0 HHAAMN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000040454603 519630636 /nfs/dbraw/zinc/63/06/36/519630636.db2.gz CJNMWAQIENRZLF-UHFFFAOYSA-N 0 1 423.332 3.776 50 0 HHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)N(C)CCS3)cc1Cl ZINC000032943662 522813901 /nfs/dbraw/zinc/81/39/01/522813901.db2.gz NNYLNBSVKSTLCV-UHFFFAOYSA-N 0 1 414.936 3.700 50 0 HHAAMN COc1cc(OC)cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c1 ZINC000020536769 522880645 /nfs/dbraw/zinc/88/06/45/522880645.db2.gz XOEAGYSESQZROO-JTJYXVOQSA-N 0 1 422.525 3.650 50 0 HHAAMN COc1cc(S(=O)(=O)Nc2ccc(C)cc2C)c(OC)cc1Br ZINC000032601939 522898120 /nfs/dbraw/zinc/89/81/20/522898120.db2.gz CVGFLBZBTBTYNR-UHFFFAOYSA-N 0 1 400.294 3.884 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cn2)CC1 ZINC000032889363 523927788 /nfs/dbraw/zinc/92/77/88/523927788.db2.gz AMWFCIHYDDYGKW-UHFFFAOYSA-N 0 1 419.510 3.955 50 0 HHAAMN COc1cccc([C@H](CNC(=O)c2cncn2-c2ccc(F)cc2)N2CCCC2)c1 ZINC000032841398 524161789 /nfs/dbraw/zinc/16/17/89/524161789.db2.gz MDFSZUBADMMQEN-NRFANRHFSA-N 0 1 408.477 3.587 50 0 HHAAMN CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Cl)cc21 ZINC000006893128 534802476 /nfs/dbraw/zinc/80/24/76/534802476.db2.gz GRWRWDWNZYVPEX-UHFFFAOYSA-N 0 1 401.271 3.540 50 0 HHAAMN Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCN(C(C)C)CC4)cc3)n2)cc1 ZINC000032579016 525869587 /nfs/dbraw/zinc/86/95/87/525869587.db2.gz OAOADAFOSSKBCX-UHFFFAOYSA-N 0 1 420.513 3.643 50 0 HHAAMN Cc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397675 526312751 /nfs/dbraw/zinc/31/27/51/526312751.db2.gz AXCSIFJZZSUZBC-UHFFFAOYSA-N 0 1 404.861 3.639 50 0 HHAAMN CCOc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc(C)cc2)cc1OC ZINC000000716240 557068123 /nfs/dbraw/zinc/06/81/23/557068123.db2.gz RSRZJOGQVUZDJP-OAQYLSRUSA-N 0 1 410.470 3.774 50 0 HHAAMN CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001062082 557164383 /nfs/dbraw/zinc/16/43/83/557164383.db2.gz OAZUYVHBKGGAJN-JOCHJYFZSA-N 0 1 405.498 3.537 50 0 HHAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3CC)cc1 ZINC000001448663 557267202 /nfs/dbraw/zinc/26/72/02/557267202.db2.gz FKKRPTKOHUIYKN-UHFFFAOYSA-N 0 1 424.478 3.797 50 0 HHAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000001464403 557268700 /nfs/dbraw/zinc/26/87/00/557268700.db2.gz ZRJSICPJGRBDAQ-OAQYLSRUSA-N 0 1 402.454 3.649 50 0 HHAAMN Cc1ccc(N2CCN(Cc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)CC2)cc1C ZINC000034668110 557361696 /nfs/dbraw/zinc/36/16/96/557361696.db2.gz FQQOCCFCGNCAGS-DEOSSOPVSA-N 0 1 407.558 3.534 50 0 HHAAMN O=C(Nc1ccc(N2CCCN(Cc3ccncc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681654 557383396 /nfs/dbraw/zinc/38/33/96/557383396.db2.gz XLLJVXWGMFJBSA-UHFFFAOYSA-N 0 1 405.477 3.580 50 0 HHAAMN COCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000034682970 557385229 /nfs/dbraw/zinc/38/52/29/557385229.db2.gz BHULTJHHCJTZLK-UHFFFAOYSA-N 0 1 412.530 3.656 50 0 HHAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)C1CCC1 ZINC000034834397 557467565 /nfs/dbraw/zinc/46/75/65/557467565.db2.gz NSGPUSHJSHLBQC-UHFFFAOYSA-N 0 1 423.605 3.717 50 0 HHAAMN CCCOc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCC(F)(F)C(F)(F)F)cc1 ZINC000004064578 557509168 /nfs/dbraw/zinc/50/91/68/557509168.db2.gz LUTSGRVECBVQAA-AWEZNQCLSA-N 0 1 422.350 3.844 50 0 HHAAMN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Cl)c2Cl)n2ncnc2N1 ZINC000004987017 557621224 /nfs/dbraw/zinc/62/12/24/557621224.db2.gz JBWCGLUCUKRGDT-ZBEGNZNMSA-N 0 1 409.273 3.596 50 0 HHAAMN COCCN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21)C(C)C ZINC000019741254 558262022 /nfs/dbraw/zinc/26/20/22/558262022.db2.gz GDZQLQDHARFNEG-UHFFFAOYSA-N 0 1 414.575 3.567 50 0 HHAAMN CN(C[C@@H]1CCCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011818059 558281193 /nfs/dbraw/zinc/28/11/93/558281193.db2.gz ABCRPPHVKGQIKF-DEOSSOPVSA-N 0 1 423.557 3.766 50 0 HHAAMN O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000011935615 558299654 /nfs/dbraw/zinc/29/96/54/558299654.db2.gz PLOKJFGRMHEJKG-NRFANRHFSA-N 0 1 418.476 3.904 50 0 HHAAMN O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000011935616 558299785 /nfs/dbraw/zinc/29/97/85/558299785.db2.gz PLOKJFGRMHEJKG-OAQYLSRUSA-N 0 1 418.476 3.904 50 0 HHAAMN Fc1ccc(N2CCN([C@@H]3CCCN(Cc4nc(-c5ccccc5)no4)C3)CC2)cc1 ZINC000020109821 558335046 /nfs/dbraw/zinc/33/50/46/558335046.db2.gz OWTXSHPEZAHJHK-JOCHJYFZSA-N 0 1 421.520 3.662 50 0 HHAAMN CCCC[C@H]1CN(CCNC(=O)CCc2c(C)nn(C)c2C)Cc2ccccc2O1 ZINC000012148983 558338536 /nfs/dbraw/zinc/33/85/36/558338536.db2.gz QWCRRBFJDMFHTA-NRFANRHFSA-N 0 1 412.578 3.539 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294597 558354501 /nfs/dbraw/zinc/35/45/01/558354501.db2.gz JGUCXMRYILQGSW-FQEVSTJZSA-N 0 1 413.537 3.630 50 0 HHAAMN O[C@H](COc1ccc(F)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421517 558362007 /nfs/dbraw/zinc/36/20/07/558362007.db2.gz YGNJSKJVZZPYPP-DEOSSOPVSA-N 0 1 420.528 3.973 50 0 HHAAMN COc1cccc(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)c1 ZINC000012301960 558371522 /nfs/dbraw/zinc/37/15/22/558371522.db2.gz HYBDMGCIMHECFW-UHFFFAOYSA-N 0 1 406.530 3.957 50 0 HHAAMN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)cc1Cl ZINC000012302644 558372416 /nfs/dbraw/zinc/37/24/16/558372416.db2.gz BLHJSWIYPBKBJG-CQSZACIVSA-N 0 1 404.898 3.651 50 0 HHAAMN Cc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n[nH]1 ZINC000012304735 558373803 /nfs/dbraw/zinc/37/38/03/558373803.db2.gz WSOPNXBYRIYTFS-UHFFFAOYSA-N 0 1 406.534 3.713 50 0 HHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N3)cc1 ZINC000020735792 558407731 /nfs/dbraw/zinc/40/77/31/558407731.db2.gz JGSJULGTSRJDTF-SFHVURJKSA-N 0 1 405.458 3.599 50 0 HHAAMN COc1cccc(C[C@]2(CO)CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)c1 ZINC000012438830 558410367 /nfs/dbraw/zinc/41/03/67/558410367.db2.gz SYOTVEJLSOREMZ-JOCHJYFZSA-N 0 1 405.922 3.880 50 0 HHAAMN CCOc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1 ZINC000020878168 558419736 /nfs/dbraw/zinc/41/97/36/558419736.db2.gz VZJSDKBTQGQFNB-QHCPKHFHSA-N 0 1 420.557 3.544 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc4ccccc4o3)C2)cc1 ZINC000012718893 558456180 /nfs/dbraw/zinc/45/61/80/558456180.db2.gz NLJPQFIPVGDPOA-KRWDZBQOSA-N 0 1 414.527 3.632 50 0 HHAAMN CCN(C(=O)CN1CCC(C(=O)N2CCCCC2)CC1)c1cccc2ccccc21 ZINC000012796513 558469347 /nfs/dbraw/zinc/46/93/47/558469347.db2.gz AYMOBUBWWKUUTL-UHFFFAOYSA-N 0 1 407.558 3.917 50 0 HHAAMN C[C@@H](CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)NC(=O)c1ccccc1 ZINC000022619693 558503039 /nfs/dbraw/zinc/50/30/39/558503039.db2.gz MARZVFGFFSPATJ-LAUBAEHRSA-N 0 1 413.949 3.802 50 0 HHAAMN O=C(CN1CCN(Cc2cccc3ccccc32)CC1)Nc1cccc2nsnc21 ZINC000022752299 558507683 /nfs/dbraw/zinc/50/76/83/558507683.db2.gz YRXSLJDQDCDXQE-UHFFFAOYSA-N 0 1 417.538 3.601 50 0 HHAAMN O=c1cc(CN2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nc2sccn21 ZINC000022926483 558523245 /nfs/dbraw/zinc/52/32/45/558523245.db2.gz ZMNADPCXNKYFDJ-UHFFFAOYSA-N 0 1 416.550 3.741 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@@H](NC[C@@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929730 558523740 /nfs/dbraw/zinc/52/37/40/558523740.db2.gz XQDKRDZMJYPTTD-ZEQRLZLVSA-N 0 1 409.574 3.930 50 0 HHAAMN CC(C)=CCN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO ZINC000023360704 558552090 /nfs/dbraw/zinc/55/20/90/558552090.db2.gz JAMOXTCRXMTERV-NRFANRHFSA-N 0 1 400.954 3.632 50 0 HHAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000024970064 558623001 /nfs/dbraw/zinc/62/30/01/558623001.db2.gz AWPYNUGZTOXRCX-UHFFFAOYSA-N 0 1 417.874 3.797 50 0 HHAAMN O=C(CCn1c(=O)oc2ccccc21)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025035318 558627504 /nfs/dbraw/zinc/62/75/04/558627504.db2.gz WNMHFFYXIXHFRS-HSZRJFAPSA-N 0 1 412.449 3.767 50 0 HHAAMN C[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000014196821 558633625 /nfs/dbraw/zinc/63/36/25/558633625.db2.gz FJMUUGDJKVCBPY-JTQLQIEISA-N 0 1 410.257 3.721 50 0 HHAAMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000027332203 558671977 /nfs/dbraw/zinc/67/19/77/558671977.db2.gz QHUQIOVYEKPCHX-GOSISDBHSA-N 0 1 424.526 3.945 50 0 HHAAMN CN(C)[C@@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccccc1 ZINC000028290704 558696867 /nfs/dbraw/zinc/69/68/67/558696867.db2.gz BTLFVVBJKBAVCF-INIZCTEOSA-N 0 1 415.287 3.588 50 0 HHAAMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1 ZINC000028789285 558704399 /nfs/dbraw/zinc/70/43/99/558704399.db2.gz MQWGBZPWHGKSPD-UHFFFAOYSA-N 0 1 422.466 3.599 50 0 HHAAMN O=C(c1ccco1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000015066499 558709347 /nfs/dbraw/zinc/70/93/47/558709347.db2.gz ZMVVZYZJWLEGKD-FQEVSTJZSA-N 0 1 400.494 3.952 50 0 HHAAMN COc1cccc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000029153403 558710964 /nfs/dbraw/zinc/71/09/64/558710964.db2.gz WVOIIESBKBBSOH-UHFFFAOYSA-N 0 1 421.463 3.656 50 0 HHAAMN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1 ZINC000015070397 558712300 /nfs/dbraw/zinc/71/23/00/558712300.db2.gz UBSHTAAWRPQPJH-QFIPXVFZSA-N 0 1 408.502 3.948 50 0 HHAAMN CCOc1ccc([C@@H]2CCCN2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015372309 558736231 /nfs/dbraw/zinc/73/62/31/558736231.db2.gz OAQWZJCOBXPJGK-QFIPXVFZSA-N 0 1 424.541 3.824 50 0 HHAAMN Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)o1 ZINC000015860228 558757799 /nfs/dbraw/zinc/75/77/99/558757799.db2.gz GTOLJQIQJYCRNP-KRWDZBQOSA-N 0 1 407.308 3.683 50 0 HHAAMN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)c1 ZINC000015936603 558763018 /nfs/dbraw/zinc/76/30/18/558763018.db2.gz GEQPPDSGGJGCMC-AWEZNQCLSA-N 0 1 409.408 3.951 50 0 HHAAMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022298780 558779305 /nfs/dbraw/zinc/77/93/05/558779305.db2.gz VLFKLHBWWGECIT-NRFANRHFSA-N 0 1 400.950 3.699 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007146 558827826 /nfs/dbraw/zinc/82/78/26/558827826.db2.gz NLHRPSGJSBXNSG-UHFFFAOYSA-N 0 1 404.488 3.575 50 0 HHAAMN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)n[nH]2)cc1 ZINC000072331253 558867579 /nfs/dbraw/zinc/86/75/79/558867579.db2.gz OJXNCZLUWYZBMT-UHFFFAOYSA-N 0 1 405.502 3.613 50 0 HHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCC1 ZINC000033077449 558868662 /nfs/dbraw/zinc/86/86/62/558868662.db2.gz KOGQJJCGKWXCNE-UHFFFAOYSA-N 0 1 414.527 3.884 50 0 HHAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccco4)n[nH]3)no2)c(C)c1 ZINC000033087452 558871323 /nfs/dbraw/zinc/87/13/23/558871323.db2.gz DBSSETPNFGYNDF-UHFFFAOYSA-N 0 1 424.486 3.928 50 0 HHAAMN O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000055089438 558872090 /nfs/dbraw/zinc/87/20/90/558872090.db2.gz KFASBHVPOIAPQS-OAHLLOKOSA-N 0 1 409.500 3.564 50 0 HHAAMN CSc1ccc(CC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055107738 558872889 /nfs/dbraw/zinc/87/28/89/558872889.db2.gz PCDBQGLUVKCZRG-JOCHJYFZSA-N 0 1 409.599 3.764 50 0 HHAAMN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)ccc1Cl ZINC000010657299 558892263 /nfs/dbraw/zinc/89/22/63/558892263.db2.gz GGWYAGRKZFUCLC-UHFFFAOYSA-N 0 1 410.286 3.783 50 0 HHAAMN c1ccc(CN2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)cc1 ZINC000058062456 558897523 /nfs/dbraw/zinc/89/75/23/558897523.db2.gz JZLZNABIFMDYBY-UHFFFAOYSA-N 0 1 421.508 3.662 50 0 HHAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(C(F)(F)F)c1 ZINC000058159664 558904632 /nfs/dbraw/zinc/90/46/32/558904632.db2.gz KYIQBATULIXAPX-ZDUSSCGKSA-N 0 1 405.420 3.887 50 0 HHAAMN O=C([O-])[C@H]1CCC[N@H+]([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000072194177 558931044 /nfs/dbraw/zinc/93/10/44/558931044.db2.gz VWTJKXUNEWVTKH-ROUUACIJSA-N 0 1 420.509 3.806 50 0 HHAAMN Cc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(NC2CCCCC2)n1 ZINC000065364403 558975575 /nfs/dbraw/zinc/97/55/75/558975575.db2.gz QKEHNNHZJHERPY-UHFFFAOYSA-N 0 1 407.562 3.811 50 0 HHAAMN COc1ccc2cc(CN(C)C3CCS(=O)(=O)CC3)c(-c3cccs3)nc2c1 ZINC000072418186 558978113 /nfs/dbraw/zinc/97/81/13/558978113.db2.gz XWOOXRZSALSWOW-UHFFFAOYSA-N 0 1 416.568 3.981 50 0 HHAAMN COc1ccc(CN(Cc2cc(=O)n3cc(C)sc3n2)CC(C)C)cc1OC ZINC000033068971 558980629 /nfs/dbraw/zinc/98/06/29/558980629.db2.gz MLADRGILJBAGRP-UHFFFAOYSA-N 0 1 401.532 3.740 50 0 HHAAMN O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCN(C2CCCC2)CC1 ZINC000067434618 558986527 /nfs/dbraw/zinc/98/65/27/558986527.db2.gz OCNHPOWBPVUGFN-UHFFFAOYSA-N 0 1 409.530 3.833 50 0 HHAAMN CCOCCN1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1CC ZINC000097164619 558998464 /nfs/dbraw/zinc/99/84/64/558998464.db2.gz QZBDDXVJIIUWLD-CQSZACIVSA-N 0 1 405.873 3.906 50 0 HHAAMN CC(C)COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023127696 559016003 /nfs/dbraw/zinc/01/60/03/559016003.db2.gz SKFRAMJTDQSFPG-UHFFFAOYSA-N 0 1 406.548 3.505 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nc(N)cc(N)n2)cc1 ZINC000004748577 559048558 /nfs/dbraw/zinc/04/85/58/559048558.db2.gz WJOXJUGYYTVWOU-UHFFFAOYSA-N 0 1 415.906 3.848 50 0 HHAAMN O=C([O-])[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000101388259 559146754 /nfs/dbraw/zinc/14/67/54/559146754.db2.gz VWTJKXUNEWVTKH-QZTJIDSGSA-N 0 1 420.509 3.806 50 0 HHAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@@H]3CC)c21 ZINC000005093308 559244175 /nfs/dbraw/zinc/24/41/75/559244175.db2.gz RLRWJSBKYYIQDT-INIZCTEOSA-N 0 1 415.534 3.875 50 0 HHAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000005198242 559292128 /nfs/dbraw/zinc/29/21/28/559292128.db2.gz CPYFZZIMSMFEPX-SFTDATJTSA-N 0 1 400.409 3.887 50 0 HHAAMN COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)COc3ccccc3)nc21 ZINC000005256915 560550871 /nfs/dbraw/zinc/55/08/71/560550871.db2.gz GNDCHZSQLASLRA-UHFFFAOYSA-N 0 1 419.934 3.932 50 0 HHAAMN CCC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc21 ZINC000017248126 560704965 /nfs/dbraw/zinc/70/49/65/560704965.db2.gz HQDPPGCPAYVWCF-UHFFFAOYSA-N 0 1 402.516 3.802 50 0 HHAAMN CC[N@H+]1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000101189274 560789053 /nfs/dbraw/zinc/78/90/53/560789053.db2.gz FTUCIZNIMGFHOE-QSSXUJFUSA-N 0 1 403.526 3.905 50 0 HHAAMN O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000101373437 560792861 /nfs/dbraw/zinc/79/28/61/560792861.db2.gz SLAJUOZUPUEYNH-QFIPXVFZSA-N 0 1 416.521 3.893 50 0 HHAAMN CCc1ccc(C(=O)c2cnc3cc(OC)c(OC)cc3c2N2CCOCC2)cc1 ZINC000101552006 560797109 /nfs/dbraw/zinc/79/71/09/560797109.db2.gz HZAFDBNJCFTJCH-UHFFFAOYSA-N 0 1 406.482 3.882 50 0 HHAAMN CC(C)(O)[C@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000107537987 560896589 /nfs/dbraw/zinc/89/65/89/560896589.db2.gz PUNHDKQWQBPEAM-CRAIPNDOSA-N 0 1 403.573 3.723 50 0 HHAAMN CCCN(Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974141 568422802 /nfs/dbraw/zinc/42/28/02/568422802.db2.gz IPIWPNFMGGZOPE-UHFFFAOYSA-N 0 1 401.894 3.777 50 0 HHAAMN O=C(NC1CCCCCCC1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000046017285 568423763 /nfs/dbraw/zinc/42/37/63/568423763.db2.gz OIMJFAGEWOPTMX-SFHVURJKSA-N 0 1 409.534 3.553 50 0 HHAAMN O=C(CCC1CCCC1)NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000049406625 568449075 /nfs/dbraw/zinc/44/90/75/568449075.db2.gz NQJDTDXFPCKYEW-UHFFFAOYSA-N 0 1 412.509 3.907 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)N[C@H](C)c4ccccc4)c3=O)c2c1 ZINC000020330306 568599408 /nfs/dbraw/zinc/59/94/08/568599408.db2.gz VOSWJAMWQKCICG-CYBMUJFWSA-N 0 1 422.510 3.816 50 0 HHAAMN COc1ccccc1Nc1ncccc1C(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 ZINC000095350483 568601108 /nfs/dbraw/zinc/60/11/08/568601108.db2.gz GMOUKRPLHPSEOZ-UHFFFAOYSA-N 0 1 418.501 3.849 50 0 HHAAMN Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000039998427 568607840 /nfs/dbraw/zinc/60/78/40/568607840.db2.gz YZCRKSIXDCQVBS-UHFFFAOYSA-N 0 1 403.442 3.837 50 0 HHAAMN COc1ccc(-c2cc(NC(=O)[C@@H](C)CN3CCOCC3)ccc2OC(F)F)cc1 ZINC000095453093 568615685 /nfs/dbraw/zinc/61/56/85/568615685.db2.gz UVBYIWLAVDXAMS-HNNXBMFYSA-N 0 1 420.456 3.870 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)n[nH]1 ZINC000095473258 568628731 /nfs/dbraw/zinc/62/87/31/568628731.db2.gz BOPBTAMBEVBIRB-JXMROGBWSA-N 0 1 402.498 3.557 50 0 HHAAMN CCc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000021154170 568672981 /nfs/dbraw/zinc/67/29/81/568672981.db2.gz PADKUIODXPQDRO-UHFFFAOYSA-N 0 1 403.548 3.631 50 0 HHAAMN CN(C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cn1 ZINC000225808100 568676068 /nfs/dbraw/zinc/67/60/68/568676068.db2.gz PQMFNIHTHDVGBW-QFIPXVFZSA-N 0 1 420.582 3.734 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4cccc(OC)c4)ccc3n2)CC1 ZINC000021264516 568685690 /nfs/dbraw/zinc/68/56/90/568685690.db2.gz ZVQXMUVNRQCIGV-UHFFFAOYSA-N 0 1 418.541 3.875 50 0 HHAAMN COc1cc(NS(=O)(=O)c2cc(-c3ccno3)sc2C)cc(OC)c1OC ZINC000096323600 568732154 /nfs/dbraw/zinc/73/21/54/568732154.db2.gz CLOIZSQEECEENK-UHFFFAOYSA-N 0 1 410.473 3.538 50 0 HHAAMN Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324681 568734213 /nfs/dbraw/zinc/73/42/13/568734213.db2.gz FHWGRMBKJCINGB-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN CCc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096324663 568734324 /nfs/dbraw/zinc/73/43/24/568734324.db2.gz GMVDLNAFGWYUQX-UHFFFAOYSA-N 0 1 403.486 3.525 50 0 HHAAMN CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cn(C)c2ccccc12 ZINC000021696136 568739866 /nfs/dbraw/zinc/73/98/66/568739866.db2.gz RAHTWHHNWLETGE-QHCPKHFHSA-N 0 1 411.571 3.638 50 0 HHAAMN O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccc(Cl)cc1 ZINC000018992282 568745082 /nfs/dbraw/zinc/74/50/82/568745082.db2.gz RFLQQESUSCVNJU-INIZCTEOSA-N 0 1 412.854 3.864 50 0 HHAAMN COc1cc(/C=C\C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc(OC)c1OC ZINC000096402989 568750497 /nfs/dbraw/zinc/75/04/97/568750497.db2.gz DXBYMFMFECDJJG-LPADLIQXSA-N 0 1 414.502 3.662 50 0 HHAAMN CC[NH+]1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022577391 568770134 /nfs/dbraw/zinc/77/01/34/568770134.db2.gz OYXUZXKAXDOPTP-GOSISDBHSA-N 0 1 423.542 3.792 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000022579735 568770620 /nfs/dbraw/zinc/77/06/20/568770620.db2.gz FPZHZZRLSYEUAN-QHCPKHFHSA-N 0 1 409.574 3.711 50 0 HHAAMN COC(=O)c1ccc(C)c(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c1 ZINC000057338460 568827134 /nfs/dbraw/zinc/82/71/34/568827134.db2.gz YHDKIIHFFYZXAB-ZDUSSCGKSA-N 0 1 405.292 3.833 50 0 HHAAMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000057378685 568830128 /nfs/dbraw/zinc/83/01/28/568830128.db2.gz IFVKGSUVXLKMSV-MOPGFXCFSA-N 0 1 407.558 3.976 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C)ccc1C ZINC000012526219 568843057 /nfs/dbraw/zinc/84/30/57/568843057.db2.gz GODKFZPREMCEFC-INIZCTEOSA-N 0 1 402.516 3.819 50 0 HHAAMN COc1ccc(-c2n[nH]c(NC(=O)c3cc(C)nc4c3nc3n4CCCCC3)n2)cc1 ZINC000012535871 568845625 /nfs/dbraw/zinc/84/56/25/568845625.db2.gz YSHYEVIRPGRFJI-UHFFFAOYSA-N 0 1 417.473 3.512 50 0 HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000003206548 568846380 /nfs/dbraw/zinc/84/63/80/568846380.db2.gz GGNJRELFQBINOO-UHFFFAOYSA-N 0 1 423.281 3.837 50 0 HHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br ZINC000031240211 568920498 /nfs/dbraw/zinc/92/04/98/568920498.db2.gz NBSXICIGIQNFQU-UHFFFAOYSA-N 0 1 420.326 3.530 50 0 HHAAMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000084185756 568943730 /nfs/dbraw/zinc/94/37/30/568943730.db2.gz FYHUOTSREFSCAZ-MRXNPFEDSA-N 0 1 400.544 3.567 50 0 HHAAMN CC(=O)Nc1nc(SCc2cccc(C)c2)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000004248925 568953938 /nfs/dbraw/zinc/95/39/38/568953938.db2.gz ZVPKMUMLNPMKRP-UHFFFAOYSA-N 0 1 414.512 3.643 50 0 HHAAMN O=C(Nc1c(F)c(F)cc(F)c1F)[C@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000015678139 568965752 /nfs/dbraw/zinc/96/57/52/568965752.db2.gz KUVYSALZNQKZHV-NNJUXLKUSA-N 0 1 419.378 3.513 50 0 biogenic HHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)n[nH]2)c(C)c1 ZINC000015680759 568967519 /nfs/dbraw/zinc/96/75/19/568967519.db2.gz VQZIPABVESSMJW-UHFFFAOYSA-N 0 1 422.916 3.945 50 0 HHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008040260 568970391 /nfs/dbraw/zinc/97/03/91/568970391.db2.gz OTXIXHFBCWPRIT-SFHVURJKSA-N 0 1 401.894 3.627 50 0 HHAAMN CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000008324414 568990907 /nfs/dbraw/zinc/99/09/07/568990907.db2.gz BALMACCCRLKTAN-QFIPXVFZSA-N 0 1 420.509 3.915 50 0 HHAAMN COc1cccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1 ZINC000085664734 569006642 /nfs/dbraw/zinc/00/66/42/569006642.db2.gz AKFRWRXUVXJMEP-UHFFFAOYSA-N 0 1 417.434 3.644 50 0 HHAAMN CCOc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1 ZINC000104334854 569008315 /nfs/dbraw/zinc/00/83/15/569008315.db2.gz BTFJEQVQNXNDFY-OAQYLSRUSA-N 0 1 400.588 3.876 50 0 HHAAMN COc1ccc(C[N@H+]2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)c(C)c1C ZINC000104548162 569009045 /nfs/dbraw/zinc/00/90/45/569009045.db2.gz LOUCSGNTBIXQCF-HXUWFJFHSA-N 0 1 404.501 3.659 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)c(C)c1C ZINC000104548162 569009046 /nfs/dbraw/zinc/00/90/46/569009046.db2.gz LOUCSGNTBIXQCF-HXUWFJFHSA-N 0 1 404.501 3.659 50 0 HHAAMN COc1ccc(C[N@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)c(C)c1C ZINC000107100456 569009218 /nfs/dbraw/zinc/00/92/18/569009218.db2.gz WNDPZLUVNYFMAG-XMMPIXPASA-N 0 1 419.569 3.929 50 0 HHAAMN CC(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983512 569009787 /nfs/dbraw/zinc/00/97/87/569009787.db2.gz VAZRBLAKDVLURD-FGZHOGPDSA-N 0 1 400.494 3.607 50 0 HHAAMN CN(C)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146364 569014527 /nfs/dbraw/zinc/01/45/27/569014527.db2.gz WDFSJCCYWHBFMJ-UHFFFAOYSA-N 0 1 413.474 3.945 50 0 HHAAMN Clc1cccc(-n2ncc3c2ncnc3N2CCN(Cc3ccccc3)CC2)c1 ZINC000054302599 569070191 /nfs/dbraw/zinc/07/01/91/569070191.db2.gz MAYOSDODBVNHKW-UHFFFAOYSA-N 0 1 404.905 3.791 50 0 HHAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)c1 ZINC000036098451 569090921 /nfs/dbraw/zinc/09/09/21/569090921.db2.gz OYEFUSAFAUPDJL-NRFANRHFSA-N 0 1 421.493 3.866 50 0 HHAAMN O[C@@H](COCc1ccco1)CN(Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103468 569092068 /nfs/dbraw/zinc/09/20/68/569092068.db2.gz KDSMPRFMIJRRFU-QGZVFWFLSA-N 0 1 401.484 3.650 50 0 HHAAMN Cc1ccc(C)c(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1 ZINC000064800389 569097373 /nfs/dbraw/zinc/09/73/73/569097373.db2.gz WGPBREMEMJTYTI-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN CCOC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145973 569098620 /nfs/dbraw/zinc/09/86/20/569098620.db2.gz QTKJEPAJRPVJCC-RTWAWAEBSA-N 0 1 402.922 3.733 50 0 HHAAMN COc1cccc(CN2CC=C(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 ZINC000064817989 569101279 /nfs/dbraw/zinc/10/12/79/569101279.db2.gz JQRLHOPRQBOOTB-UHFFFAOYSA-N 0 1 419.569 3.793 50 0 HHAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1 ZINC000006752895 569111472 /nfs/dbraw/zinc/11/14/72/569111472.db2.gz GEVQOLLITDBYOU-HSZRJFAPSA-N 0 1 421.497 3.889 50 0 HHAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036307450 569129546 /nfs/dbraw/zinc/12/95/46/569129546.db2.gz NLVJXOUCAHRTIP-KRWDZBQOSA-N 0 1 413.493 3.848 50 0 HHAAMN CCCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340829 569141451 /nfs/dbraw/zinc/14/14/51/569141451.db2.gz HNTLGIMHGZCWHA-HXUWFJFHSA-N 0 1 414.569 3.750 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036343747 569142408 /nfs/dbraw/zinc/14/24/08/569142408.db2.gz SVMURFTUPGLKPE-QHCPKHFHSA-N 0 1 424.976 3.964 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1OC ZINC000006887697 569171231 /nfs/dbraw/zinc/17/12/31/569171231.db2.gz PPJZLVINZGRDAK-UHFFFAOYSA-N 0 1 418.471 3.785 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1C ZINC000065115884 569179742 /nfs/dbraw/zinc/17/97/42/569179742.db2.gz AMJWIPZKTDEHHO-UHFFFAOYSA-N 0 1 415.471 3.726 50 0 HHAAMN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(Cl)cc3F)cc2C1 ZINC000065196180 569194488 /nfs/dbraw/zinc/19/44/88/569194488.db2.gz FWLISFPELOLTJR-UHFFFAOYSA-N 0 1 402.900 3.636 50 0 HHAAMN O=C(c1ccoc1)N1CCC2(CC1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265650 569213008 /nfs/dbraw/zinc/21/30/08/569213008.db2.gz VNASALYEAAAIGT-UHFFFAOYSA-N 0 1 401.470 3.595 50 0 biogenic HHAAMN COc1cn(CC(=O)Nc2cccc3ccccc32)c(CN2CCCCC2)cc1=O ZINC000016974433 569269594 /nfs/dbraw/zinc/26/95/94/569269594.db2.gz OGTAVZAXJNGTKU-UHFFFAOYSA-N 0 1 405.498 3.635 50 0 HHAAMN CC(C)c1nc2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2[nH]1 ZINC000252539163 569293188 /nfs/dbraw/zinc/29/31/88/569293188.db2.gz NUUNOGCMDPQQKY-QGZVFWFLSA-N 0 1 405.458 3.805 50 0 HHAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@H](C)C[C@H](C)C3)c21 ZINC000002260084 569324979 /nfs/dbraw/zinc/32/49/79/569324979.db2.gz QULKUUWSBDULNO-GASCZTMLSA-N 0 1 415.534 3.588 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 ZINC000013057949 569408223 /nfs/dbraw/zinc/40/82/23/569408223.db2.gz MDCKWQVWVMXIQB-UHFFFAOYSA-N 0 1 402.516 3.867 50 0 HHAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000013058861 569408257 /nfs/dbraw/zinc/40/82/57/569408257.db2.gz JYHUKAJHYDOKEX-GOSISDBHSA-N 0 1 417.575 3.623 50 0 HHAAMN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000078716641 569419867 /nfs/dbraw/zinc/41/98/67/569419867.db2.gz WCJZBILMZSBRCV-SFHVURJKSA-N 0 1 401.576 3.822 50 0 HHAAMN Cc1ccc(C)c(N2CCN(C(=O)c3[nH]nnc3Nc3ccc(Cl)cc3)CC2)c1 ZINC000067284322 571063328 /nfs/dbraw/zinc/06/33/28/571063328.db2.gz VERCZHXYRXSVJQ-UHFFFAOYSA-N 0 1 410.909 3.781 50 0 HHAAMN COC(=O)c1sc2[nH]c(CSc3nc4ccc(C)cc4[nH]3)nc(=O)c2c1C ZINC000008579242 571082739 /nfs/dbraw/zinc/08/27/39/571082739.db2.gz NBHNVZVDZAWCNM-UHFFFAOYSA-N 0 1 400.485 3.557 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000008610011 571094012 /nfs/dbraw/zinc/09/40/12/571094012.db2.gz SDHYLKQVVNDMGO-UHFFFAOYSA-N 0 1 424.526 3.862 50 0 HHAAMN COc1ccc(Cl)cc1CC(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000040012793 571138338 /nfs/dbraw/zinc/13/83/38/571138338.db2.gz OQNYAJJBTMZQQN-LJQANCHMSA-N 0 1 402.922 3.853 50 0 HHAAMN O=C(CCc1ccc(Cl)s1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000040140083 571190962 /nfs/dbraw/zinc/19/09/62/571190962.db2.gz IKDMLNQIHKIIJY-UHFFFAOYSA-N 0 1 422.919 3.564 50 0 HHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCc1cccs1 ZINC000009576491 571269805 /nfs/dbraw/zinc/26/98/05/571269805.db2.gz CRXZVBWGXHGUKS-UHFFFAOYSA-N 0 1 421.474 3.965 50 0 biogenic HHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccccc3C)c2)on1 ZINC000009637647 571275206 /nfs/dbraw/zinc/27/52/06/571275206.db2.gz SNLOYSXDZLDQEV-UHFFFAOYSA-N 0 1 416.455 3.636 50 0 HHAAMN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000010225465 571297413 /nfs/dbraw/zinc/29/74/13/571297413.db2.gz MSENIPBDQJLPEP-UHFFFAOYSA-N 0 1 416.525 3.878 50 0 HHAAMN O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc2ccccc2n1 ZINC000077100903 571311479 /nfs/dbraw/zinc/31/14/79/571311479.db2.gz OIMKJMFNMYGRND-UHFFFAOYSA-N 0 1 424.508 3.599 50 0 HHAAMN COc1cc(NC(=O)CSc2nc(C=Cc3ccco3)n[nH]2)c(OC)cc1Cl ZINC000010632254 961866872 /nfs/dbraw/zinc/86/68/72/961866872.db2.gz MZDLVICPRMGPMK-AATRIKPKSA-N 0 1 420.878 3.970 50 0 HHAAMN CC(C)Cc1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)n[nH]1 ZINC000011819683 962199982 /nfs/dbraw/zinc/19/99/82/962199982.db2.gz MVWDADHGUKGYCJ-JOCHJYFZSA-N 0 1 406.534 3.787 50 0 HHAAMN C/C=C(\C)CN1CCN(c2cccc3c2C(=O)N(CCc2ccccc2F)C3=O)CC1 ZINC000011840003 962200484 /nfs/dbraw/zinc/20/04/84/962200484.db2.gz TWRSXHJWANSAKN-JFQJCAQQSA-N 0 1 421.516 3.753 50 0 HHAAMN Cn1cc(CN2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)c(-c2ccccc2)n1 ZINC000012711242 962316427 /nfs/dbraw/zinc/31/64/27/962316427.db2.gz AMNYHIHGDBCMRK-HSZRJFAPSA-N 0 1 416.525 3.763 50 0 HHAAMN O=C1CN(C2Cc3ccccc3C2)C[C@@H](OCc2ccccn2)CN1C1CCCCC1 ZINC000014531590 962525379 /nfs/dbraw/zinc/52/53/79/962525379.db2.gz XDDPWSDYICWHCV-RUZDIDTESA-N 0 1 419.569 3.611 50 0 HHAAMN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(Cc1cccnc1)CC2 ZINC000014882145 962597700 /nfs/dbraw/zinc/59/77/00/962597700.db2.gz LNOGCZWNUYEYNL-QHCPKHFHSA-N 0 1 419.569 3.548 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4ncoc4C4CC4)C3)C2)c1 ZINC000014954130 962612615 /nfs/dbraw/zinc/61/26/15/962612615.db2.gz ISFFNYAWFDTWES-QHCPKHFHSA-N 0 1 413.493 3.828 50 0 HHAAMN COc1ccc2nc(CNC(=O)c3ccc(-c4cc(C)cs4)nc3N(C)C)[nH]c2c1 ZINC000019635336 963372183 /nfs/dbraw/zinc/37/21/83/963372183.db2.gz QRZRNJRMCXWWPW-UHFFFAOYSA-N 0 1 421.526 3.999 50 0 HHAAMN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108351347 969376114 /nfs/dbraw/zinc/37/61/14/969376114.db2.gz VZUKITQPOHGDGQ-ZMYBRWDISA-N 0 1 407.297 3.909 50 0 HHAAMN COc1ccc(CN2CCC[C@H]2c2n[nH]c(C3CCOCC3)n2)c(Cl)c1OC ZINC000257177295 970617279 /nfs/dbraw/zinc/61/72/79/970617279.db2.gz WIXNORHGCRAXTC-HNNXBMFYSA-N 0 1 406.914 3.706 50 0 HHAAMN O=C(CN1CCCC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000004103832 132271196 /nfs/dbraw/zinc/27/11/96/132271196.db2.gz LDPNMAIEXWXDEO-UHFFFAOYSA-N 0 1 418.493 3.747 50 0 HHAAMN Cc1cccc(C)c1NC(=S)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000004791662 132288746 /nfs/dbraw/zinc/28/87/46/132288746.db2.gz RIMBKZPDYWGMGD-UHFFFAOYSA-N 0 1 400.567 3.941 50 0 HHAAMN O=C(Nc1ccc(F)cc1F)c1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000005768945 132307860 /nfs/dbraw/zinc/30/78/60/132307860.db2.gz XZVAKTUJLQJKMX-UHFFFAOYSA-N 0 1 408.452 3.934 50 0 HHAAMN CN1CCN(c2ccc(Br)cc2NC(=O)/C=C/c2ccccc2F)CC1 ZINC000009220739 132337261 /nfs/dbraw/zinc/33/72/61/132337261.db2.gz KNANHQHOYLNBDZ-RMKNXTFCSA-N 0 1 418.310 3.992 50 0 HHAAMN CN1CCN(c2ccccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC000012552430 132363208 /nfs/dbraw/zinc/36/32/08/132363208.db2.gz SFIJWIWAWCIQEQ-UHFFFAOYSA-N 0 1 408.477 3.804 50 0 HHAAMN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000023003667 132477051 /nfs/dbraw/zinc/47/70/51/132477051.db2.gz CBAAFKPTZHGDNZ-UHFFFAOYSA-N 0 1 404.514 3.891 50 0 HHAAMN CCOc1ccc(CN2CCN(C/C=C/c3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000036385775 520971374 /nfs/dbraw/zinc/97/13/74/520971374.db2.gz MBXADFLSFSJJOZ-NVIZVJJSSA-N 0 1 410.558 3.676 50 0 HHAAMN COC(=O)c1cc(NS(=O)(=O)c2ccccc2Br)ccc1Cl ZINC000044330264 521896296 /nfs/dbraw/zinc/89/62/96/521896296.db2.gz NCCMYAJQUHCTOF-UHFFFAOYSA-N 0 1 404.669 3.690 50 0 HHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2)c1 ZINC000040312862 521986026 /nfs/dbraw/zinc/98/60/26/521986026.db2.gz USYYZPRCAFLPOX-OAQYLSRUSA-N 0 1 420.469 3.693 50 0 biogenic HHAAMN COc1ccc(C(=O)Nc2ncc(C)s2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000032926232 523764261 /nfs/dbraw/zinc/76/42/61/523764261.db2.gz QLXMLSZXAXZRBU-UHFFFAOYSA-N 0 1 417.512 3.822 50 0 HHAAMN CN1CCN(c2ccccc2NC(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000032675970 523927301 /nfs/dbraw/zinc/92/73/01/523927301.db2.gz MAAWTSIHWZATSZ-UHFFFAOYSA-N 0 1 410.518 3.882 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2 ZINC000032943746 524245108 /nfs/dbraw/zinc/24/51/08/524245108.db2.gz UIKJYTCATJZTGR-UHFFFAOYSA-N 0 1 412.920 3.608 50 0 HHAAMN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)s1 ZINC000032532322 525421094 /nfs/dbraw/zinc/42/10/94/525421094.db2.gz NTKVFKNHAFNORF-UHFFFAOYSA-N 0 1 422.553 3.967 50 0 HHAAMN COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000662299 557043932 /nfs/dbraw/zinc/04/39/32/557043932.db2.gz KDQXOHXACSOJEE-UHFFFAOYSA-N 0 1 424.478 3.835 50 0 HHAAMN CCOC(=O)C1C(CSc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000001069974 557168717 /nfs/dbraw/zinc/16/87/17/557168717.db2.gz VTWHJWALLXQIEV-HXUWFJFHSA-N 0 1 412.511 3.967 50 0 HHAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000001074919 557172324 /nfs/dbraw/zinc/17/23/24/557172324.db2.gz HNAFAAPCAFKTBD-UHFFFAOYSA-N 0 1 419.304 3.974 50 0 HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)cc1 ZINC000001077981 557174556 /nfs/dbraw/zinc/17/45/56/557174556.db2.gz YCFJJCPOIOYRTF-UHFFFAOYSA-N 0 1 415.902 3.774 50 0 HHAAMN Cc1nc(CSc2ccc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)cc2)cs1 ZINC000022694138 557782749 /nfs/dbraw/zinc/78/27/49/557782749.db2.gz SZHKYRHOWDBNMO-IBGZPJMESA-N 0 1 419.616 3.830 50 0 HHAAMN CN1CCN([C@@H](CNC(=O)NCc2cccc3ccccc32)c2ccsc2)CC1 ZINC000022767025 557815068 /nfs/dbraw/zinc/81/50/68/557815068.db2.gz YTJGCGUHMMDPTM-QFIPXVFZSA-N 0 1 408.571 3.689 50 0 HHAAMN CCOC(=O)c1sc2cccc(F)c2c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000022777088 557816746 /nfs/dbraw/zinc/81/67/46/557816746.db2.gz AVIQOXDRCFCZPU-OAHLLOKOSA-N 0 1 406.523 3.514 50 0 HHAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCCc1cccs1 ZINC000022802304 557824436 /nfs/dbraw/zinc/82/44/36/557824436.db2.gz RYENSSBYAWZHSO-UHFFFAOYSA-N 0 1 419.594 3.814 50 0 HHAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000011713218 558271411 /nfs/dbraw/zinc/27/14/11/558271411.db2.gz OXHHSAFIKQUMSV-QGZVFWFLSA-N 0 1 415.534 3.748 50 0 HHAAMN CN(C[C@H]1CCCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011818060 558281288 /nfs/dbraw/zinc/28/12/88/558281288.db2.gz ABCRPPHVKGQIKF-XMMPIXPASA-N 0 1 423.557 3.766 50 0 HHAAMN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794688 558284030 /nfs/dbraw/zinc/28/40/30/558284030.db2.gz FXCBDRDNWHMBSG-QHCPKHFHSA-N 0 1 407.558 3.684 50 0 HHAAMN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C[C@@H]1CCC(=O)N1)C(C)C ZINC000011844654 558289245 /nfs/dbraw/zinc/28/92/45/558289245.db2.gz MULCUDBIOJSHQU-ZDUSSCGKSA-N 0 1 405.882 3.521 50 0 HHAAMN CN(Cc1ccco1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011937378 558301023 /nfs/dbraw/zinc/30/10/23/558301023.db2.gz ZNJKOIIJTGPTHS-UHFFFAOYSA-N 0 1 405.498 3.990 50 0 HHAAMN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000019902211 558305339 /nfs/dbraw/zinc/30/53/39/558305339.db2.gz CGUBGAGWFOCETQ-JOCHJYFZSA-N 0 1 415.965 3.846 50 0 HHAAMN COc1ccc(-c2nc(CN3CCCC[C@H]3CCNC(C)=O)c(C)o2)c(OC)c1 ZINC000011999711 558307799 /nfs/dbraw/zinc/30/77/99/558307799.db2.gz RHXNKIKJESRTCL-KRWDZBQOSA-N 0 1 401.507 3.548 50 0 HHAAMN COc1ccc(-c2nc(CN3CCCC[C@@H]3CCNC(C)=O)c(C)o2)c(OC)c1 ZINC000011999710 558307826 /nfs/dbraw/zinc/30/78/26/558307826.db2.gz RHXNKIKJESRTCL-QGZVFWFLSA-N 0 1 401.507 3.548 50 0 HHAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012024631 558309961 /nfs/dbraw/zinc/30/99/61/558309961.db2.gz GYFHNYOPLYJYQB-MRXNPFEDSA-N 0 1 406.933 3.830 50 0 HHAAMN O=C1CCN(Cc2cccn2-c2ccc(Cl)cn2)CCN1Cc1ccc(F)cc1 ZINC000012080151 558320804 /nfs/dbraw/zinc/32/08/04/558320804.db2.gz JOOAOGMRDXBMHM-UHFFFAOYSA-N 0 1 412.896 3.899 50 0 HHAAMN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000012091541 558324155 /nfs/dbraw/zinc/32/41/55/558324155.db2.gz QADHOKXPHAWPEF-NRFANRHFSA-N 0 1 400.563 3.666 50 0 HHAAMN COc1ccc(OC)c(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109981 558335211 /nfs/dbraw/zinc/33/52/11/558335211.db2.gz KYLZADTZPJMZPS-FQEVSTJZSA-N 0 1 413.537 3.630 50 0 HHAAMN CN(Cc1ccco1)C(=O)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000012206922 558353018 /nfs/dbraw/zinc/35/30/18/558353018.db2.gz GXRAHDNBCVVGJI-UHFFFAOYSA-N 0 1 405.498 3.990 50 0 HHAAMN CCOc1ccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022928341 558363858 /nfs/dbraw/zinc/36/38/58/558363858.db2.gz DOMCOOGTMDHXLE-XMSQKQJNSA-N 0 1 412.603 3.749 50 0 HHAAMN COC[C@H]1CCCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012318398 558381416 /nfs/dbraw/zinc/38/14/16/558381416.db2.gz CNVBMOHOWJDSIS-FQEVSTJZSA-N 0 1 423.557 3.624 50 0 HHAAMN O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2sccn21 ZINC000020509575 558382103 /nfs/dbraw/zinc/38/21/03/558382103.db2.gz CXEWNDOIBKWAKM-UHFFFAOYSA-N 0 1 416.550 3.663 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F ZINC000020745866 558410761 /nfs/dbraw/zinc/41/07/61/558410761.db2.gz YHQOVJQHYDGRPF-HXUWFJFHSA-N 0 1 424.432 3.524 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000020821170 558416732 /nfs/dbraw/zinc/41/67/32/558416732.db2.gz MLLKSGHPZNWZPF-LJQANCHMSA-N 0 1 413.537 3.923 50 0 HHAAMN CN(c1ccccc1)c1ccc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000020906383 558421213 /nfs/dbraw/zinc/42/12/13/558421213.db2.gz UYVDKTJVAJMTOE-JOCHJYFZSA-N 0 1 403.530 3.956 50 0 HHAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCCOc1c(Cl)cccc1Cl ZINC000012630617 558441599 /nfs/dbraw/zinc/44/15/99/558441599.db2.gz GSKDBJMKMIBCRL-UHFFFAOYSA-N 0 1 404.271 3.601 50 0 HHAAMN Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)no1 ZINC000012702330 558448244 /nfs/dbraw/zinc/44/82/44/558448244.db2.gz RQHOMEPZCOTIAQ-FQEVSTJZSA-N 0 1 415.509 3.656 50 0 HHAAMN CN1CCN(c2ccc(Br)cc2NC(=O)CCc2ccsc2)CC1 ZINC000021901999 558454785 /nfs/dbraw/zinc/45/47/85/558454785.db2.gz HYIAUDPXURTRCR-UHFFFAOYSA-N 0 1 408.365 3.834 50 0 HHAAMN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(CCc2ccccc2)CC1 ZINC000022242936 558471899 /nfs/dbraw/zinc/47/18/99/558471899.db2.gz BETXVIUZLZMLOJ-AREMUKBSSA-N 0 1 416.565 3.954 50 0 HHAAMN C[C@@H](NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000022771793 558508712 /nfs/dbraw/zinc/50/87/12/558508712.db2.gz IYOZSEDUZYOMCQ-HXUWFJFHSA-N 0 1 403.526 3.864 50 0 HHAAMN O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1cc(Cl)ccc1Cl ZINC000022959701 558528068 /nfs/dbraw/zinc/52/80/68/558528068.db2.gz FJVKTDSGEXEVFQ-UHFFFAOYSA-N 0 1 409.298 3.999 50 0 HHAAMN O=C1c2ccccc2[C@@H](NCCCN2CCOCC2)N1[C@H]1CCCc2ccccc21 ZINC000023504887 558560274 /nfs/dbraw/zinc/56/02/74/558560274.db2.gz ZCEQVZRJMTYIAP-ZEQRLZLVSA-N 0 1 405.542 3.531 50 0 HHAAMN O=C(CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl ZINC000024864853 558617991 /nfs/dbraw/zinc/61/79/91/558617991.db2.gz VSFJUJPFQCNSBI-UHFFFAOYSA-N 0 1 412.843 3.905 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 ZINC000024992165 558626352 /nfs/dbraw/zinc/62/63/52/558626352.db2.gz BAAIKDBJTAJRPF-UHFFFAOYSA-N 0 1 406.357 3.526 50 0 HHAAMN CN(C)[C@H](CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1 ZINC000026149648 558656522 /nfs/dbraw/zinc/65/65/22/558656522.db2.gz HLNQZNFTXUIONT-GOSISDBHSA-N 0 1 412.515 3.696 50 0 HHAAMN CN(C)[C@@H](CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1 ZINC000026149639 558656656 /nfs/dbraw/zinc/65/66/56/558656656.db2.gz HLNQZNFTXUIONT-SFHVURJKSA-N 0 1 412.515 3.696 50 0 HHAAMN CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000022936173 558666451 /nfs/dbraw/zinc/66/64/51/558666451.db2.gz JOQXHSWMIICKNG-UHFFFAOYSA-N 0 1 405.546 3.754 50 0 HHAAMN COc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)NC(=O)CO3)oc1ccccc12 ZINC000014849752 558674855 /nfs/dbraw/zinc/67/48/55/558674855.db2.gz LMBNGVAWRFEMHF-UHFFFAOYSA-N 0 1 424.434 3.726 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)N2CCCCC2)cc1 ZINC000027668813 558680090 /nfs/dbraw/zinc/68/00/90/558680090.db2.gz XVKPIZLUVCVQIS-DEOSSOPVSA-N 0 1 421.541 3.561 50 0 HHAAMN CCCOc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 ZINC000028287962 558694855 /nfs/dbraw/zinc/69/48/55/558694855.db2.gz PJBYHSNEMNHXND-JOCHJYFZSA-N 0 1 415.965 3.847 50 0 HHAAMN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000029872045 558723117 /nfs/dbraw/zinc/72/31/17/558723117.db2.gz PNWQLOJKOXDAFF-UHFFFAOYSA-N 0 1 400.232 3.863 50 0 HHAAMN COc1cc(/C=C/C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc(OC)c1OC ZINC000015477251 558740823 /nfs/dbraw/zinc/74/08/23/558740823.db2.gz DXBYMFMFECDJJG-BBVFFXRHSA-N 0 1 414.502 3.662 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)cc1 ZINC000015647212 558747359 /nfs/dbraw/zinc/74/73/59/558747359.db2.gz XQIQSRQOMYGLCK-OAQYLSRUSA-N 0 1 402.922 3.989 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000015825125 558754701 /nfs/dbraw/zinc/75/47/01/558754701.db2.gz JYOUCVMWEUCQJK-UHFFFAOYSA-N 0 1 414.941 3.783 50 0 HHAAMN Cc1ccccc1-c1ncc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cn1 ZINC000039364973 558820430 /nfs/dbraw/zinc/82/04/30/558820430.db2.gz MEMKUVHSMBDFLM-HSZRJFAPSA-N 0 1 402.542 3.521 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCC(C)C)c3=O)c2c1 ZINC000013520191 558835755 /nfs/dbraw/zinc/83/57/55/558835755.db2.gz DLDHCXNJHTXOTM-UHFFFAOYSA-N 0 1 416.547 3.882 50 0 HHAAMN OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000019222362 558852180 /nfs/dbraw/zinc/85/21/80/558852180.db2.gz MYTKPIAPOTZWIR-QFIPXVFZSA-N 0 1 410.949 3.799 50 0 HHAAMN O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000055089439 558872071 /nfs/dbraw/zinc/87/20/71/558872071.db2.gz KFASBHVPOIAPQS-HNNXBMFYSA-N 0 1 409.500 3.564 50 0 HHAAMN CSc1ncccc1C(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000055196784 558875632 /nfs/dbraw/zinc/87/56/32/558875632.db2.gz TVRLWCRMXKGPCK-LJQANCHMSA-N 0 1 410.587 3.539 50 0 HHAAMN CC[C@@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 ZINC000055343257 558879645 /nfs/dbraw/zinc/87/96/45/558879645.db2.gz BHTFDWAMVUJYQX-HXUWFJFHSA-N 0 1 407.514 3.666 50 0 HHAAMN O=C(N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(c2ccccc2)CC1 ZINC000055358164 558879851 /nfs/dbraw/zinc/87/98/51/558879851.db2.gz QLTQGKYFGPZRME-HSZRJFAPSA-N 0 1 407.533 3.671 50 0 HHAAMN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048192 558884186 /nfs/dbraw/zinc/88/41/86/558884186.db2.gz IXKFJZOCMOWVRH-UHFFFAOYSA-N 0 1 401.923 3.657 50 0 HHAAMN Cc1c(C(=O)N[C@H](C)CCc2ccccc2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048255 558885192 /nfs/dbraw/zinc/88/51/92/558885192.db2.gz WHDCWGRRHZCPJG-MRXNPFEDSA-N 0 1 423.586 3.503 50 0 HHAAMN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1C ZINC000058174987 558909206 /nfs/dbraw/zinc/90/92/06/558909206.db2.gz AXFVHSKWRAMKHE-UHFFFAOYSA-N 0 1 421.501 3.613 50 0 HHAAMN O[C@@H](COc1ccc2oc3c(c2c1)CCCC3)CN1CCN(c2ccccc2)CC1 ZINC000019606698 558946610 /nfs/dbraw/zinc/94/66/10/558946610.db2.gz WNGKKNSUHAHMOK-HXUWFJFHSA-N 0 1 406.526 3.874 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(N2CCCCC2)n1 ZINC000064799783 558965513 /nfs/dbraw/zinc/96/55/13/558965513.db2.gz RAAUHGWICSHPJF-UHFFFAOYSA-N 0 1 417.916 3.530 50 0 HHAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(CCCO)CC1 ZINC000072457775 558983138 /nfs/dbraw/zinc/98/31/38/558983138.db2.gz WEBZRUNTHOSKKA-UHFFFAOYSA-N 0 1 407.514 3.942 50 0 HHAAMN COc1ccc(CN2CNc3c(c(=O)[nH]c(=S)n3-c3ccccc3Cl)C2)cc1 ZINC000097956959 558986862 /nfs/dbraw/zinc/98/68/62/558986862.db2.gz ZVYZANLDGVYOMM-UHFFFAOYSA-N 0 1 414.918 3.942 50 0 HHAAMN Cc1c2cc(CNC(=O)[C@H](C)CN3CCOCC3)ccc2[nH]c1-c1ccccc1F ZINC000077408207 559004435 /nfs/dbraw/zinc/00/44/35/559004435.db2.gz YFZIEQDVXHZUHS-MRXNPFEDSA-N 0 1 409.505 3.867 50 0 HHAAMN Cc1cc(C)cc(NC(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1 ZINC000082230319 559042634 /nfs/dbraw/zinc/04/26/34/559042634.db2.gz PHCSNGXCOQUUCD-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3(O)C(F)(F)F)n[nH]2)c(C)c1 ZINC000033327074 559059683 /nfs/dbraw/zinc/05/96/83/559059683.db2.gz NQZXPVCBMDQAAV-LIRRHRJNSA-N 0 1 406.408 3.946 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@@]3(O)C(F)(F)F)n[nH]2)c(C)c1 ZINC000033327072 559059712 /nfs/dbraw/zinc/05/97/12/559059712.db2.gz NQZXPVCBMDQAAV-IFXJQAMLSA-N 0 1 406.408 3.946 50 0 HHAAMN CC(C)c1ccccc1OCCOC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023224723 559062798 /nfs/dbraw/zinc/06/27/98/559062798.db2.gz BJJUCJKMXSKHPE-QFIPXVFZSA-N 0 1 416.537 3.528 50 0 HHAAMN Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@@H]1c1ccncc1 ZINC000100723583 559138473 /nfs/dbraw/zinc/13/84/73/559138473.db2.gz XJZAFMJCRHXMSW-HKBOAZHASA-N 0 1 403.413 3.580 50 0 HHAAMN CCOC(=O)C1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000024022909 559187785 /nfs/dbraw/zinc/18/77/85/559187785.db2.gz RBJRNMZLUXIHAO-JOCHJYFZSA-N 0 1 412.530 3.555 50 0 HHAAMN O=C(NCCNc1ccc(Nc2ccncc2)nn1)Nc1cccc(C(F)(F)F)c1 ZINC000011697826 559189789 /nfs/dbraw/zinc/18/97/89/559189789.db2.gz AXQKLRIUUZAYQK-UHFFFAOYSA-N 0 1 417.395 3.868 50 0 HHAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)c1 ZINC000011916394 559267332 /nfs/dbraw/zinc/26/73/32/559267332.db2.gz FEVJVQXLROIRMC-HSZRJFAPSA-N 0 1 421.497 3.807 50 0 HHAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(N2CCCCC2=O)c(C)c1 ZINC000005329877 560565551 /nfs/dbraw/zinc/56/55/51/560565551.db2.gz WMJKCNCZXGVMAG-UHFFFAOYSA-N 0 1 402.516 3.938 50 0 HHAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000005343643 560566522 /nfs/dbraw/zinc/56/65/22/560566522.db2.gz LVZUAPLWQJMFAN-AOMKIAJQSA-N 0 1 405.454 3.515 50 0 HHAAMN CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc21 ZINC000017247920 560704832 /nfs/dbraw/zinc/70/48/32/560704832.db2.gz QMCMJEAAUNCRGY-UHFFFAOYSA-N 0 1 402.516 3.802 50 0 HHAAMN CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[nH]1 ZINC000017782518 560728261 /nfs/dbraw/zinc/72/82/61/560728261.db2.gz PUQTXJRFLBMLCT-UHFFFAOYSA-N 0 1 423.541 3.559 50 0 HHAAMN COc1cc(Cl)c(C)cc1N1C(=O)C2ON=C(c3ccccc3Cl)[C@@H]2C1=O ZINC000101359481 560792597 /nfs/dbraw/zinc/79/25/97/560792597.db2.gz PSVUSZSIKGCSDQ-DOTOQJQBSA-N 0 1 405.237 3.603 50 0 HHAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102706419 560820653 /nfs/dbraw/zinc/82/06/53/560820653.db2.gz XIRGTAFIESYEAK-YPAWHYETSA-N 0 1 418.424 3.885 50 0 HHAAMN C[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)N2)[C@H]1C ZINC000103869500 560844780 /nfs/dbraw/zinc/84/47/80/560844780.db2.gz WVLBZGJIXNDCCS-OWCLPIDISA-N 0 1 405.564 3.756 50 0 HHAAMN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1n[nH]c2ccccc21 ZINC000046919410 560879478 /nfs/dbraw/zinc/87/94/78/560879478.db2.gz UIPWYAKVQFRCSZ-KRWDZBQOSA-N 0 1 416.403 3.675 50 0 HHAAMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000108377785 568418471 /nfs/dbraw/zinc/41/84/71/568418471.db2.gz HFYFGPHBUAUSQV-ABSDTBQOSA-N 0 1 412.452 3.591 50 0 HHAAMN C[C@H]1Oc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O ZINC000048333878 568439530 /nfs/dbraw/zinc/43/95/30/568439530.db2.gz OEFHPJCBAIWILH-MRVPVSSYSA-N 0 1 420.796 3.879 50 0 HHAAMN Cc1nc2c(cnn2-c2ccc(F)cc2)c(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000048355067 568441410 /nfs/dbraw/zinc/44/14/10/568441410.db2.gz XAIHYNMIVFMAHX-GASCZTMLSA-N 0 1 412.513 3.563 50 0 HHAAMN COc1ccc(C=C2CN(C)CC3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000049771959 568453467 /nfs/dbraw/zinc/45/34/67/568453467.db2.gz SECUXGOCAXAHGI-RKCQOLGWSA-N 0 1 407.539 3.506 50 0 HHAAMN COc1cc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000000785849 568476964 /nfs/dbraw/zinc/47/69/64/568476964.db2.gz XXKBLQFGEMXRRD-UHFFFAOYSA-N 0 1 412.530 3.583 50 0 HHAAMN COc1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c(OC)c1OC ZINC000000819240 568496868 /nfs/dbraw/zinc/49/68/68/568496868.db2.gz DWEMKUJHABAJFZ-UHFFFAOYSA-N 0 1 412.530 3.549 50 0 HHAAMN CCOc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NCCOC)[nH]2)cc1 ZINC000020182386 568593336 /nfs/dbraw/zinc/59/33/36/568593336.db2.gz DXAYZWPHSIRGFA-UHFFFAOYSA-N 0 1 411.527 3.997 50 0 HHAAMN COc1ccc(CCc2nnc(NC(=O)Cc3c(F)cccc3Cl)[nH]2)cc1OC ZINC000095473071 568628397 /nfs/dbraw/zinc/62/83/97/568628397.db2.gz FHEBRLKGMWAHRP-UHFFFAOYSA-N 0 1 418.856 3.581 50 0 HHAAMN COc1ccc(CCc2n[nH]c(NC(=O)Cc3c(F)cccc3Cl)n2)cc1OC ZINC000095473071 568628399 /nfs/dbraw/zinc/62/83/99/568628399.db2.gz FHEBRLKGMWAHRP-UHFFFAOYSA-N 0 1 418.856 3.581 50 0 HHAAMN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(C3CCCC3)CC2)c1C ZINC000020760337 568642164 /nfs/dbraw/zinc/64/21/64/568642164.db2.gz BEWNKUHGJPXZHW-UHFFFAOYSA-N 0 1 423.557 3.727 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccccc2C)c(C)n1C ZINC000021030304 568659325 /nfs/dbraw/zinc/65/93/25/568659325.db2.gz TZQOHKYCVOTJCA-UHFFFAOYSA-N 0 1 403.548 3.623 50 0 HHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN1c1nccs1 ZINC000095957321 568669581 /nfs/dbraw/zinc/66/95/81/568669581.db2.gz XHVYODZHDHAYGA-GOSISDBHSA-N 0 1 404.967 3.546 50 0 HHAAMN Oc1ccc([C@](O)(Cc2ccccc2)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000021170145 568676175 /nfs/dbraw/zinc/67/61/75/568676175.db2.gz KUHATIPKCXBPFU-IZZNHLLZSA-N 0 1 403.522 3.939 50 0 HHAAMN Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324688 568734291 /nfs/dbraw/zinc/73/42/91/568734291.db2.gz XFLGMLSUEWWODF-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000021881015 568757116 /nfs/dbraw/zinc/75/71/16/568757116.db2.gz PXSHAEJGIOYAMW-UHFFFAOYSA-N 0 1 404.488 3.560 50 0 HHAAMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000057335788 568827099 /nfs/dbraw/zinc/82/70/99/568827099.db2.gz AAFROORYUVWYKL-GFCCVEGCSA-N 0 1 423.307 3.764 50 0 HHAAMN CCOC(=O)C1CCN(C[C@H](O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000003253325 568848917 /nfs/dbraw/zinc/84/89/17/568848917.db2.gz OYPZQYOPVLISBX-LBPRGKRZSA-N 0 1 410.725 3.662 50 0 HHAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000030361130 568862015 /nfs/dbraw/zinc/86/20/15/568862015.db2.gz XWBJEUCMHQNFNT-UHFFFAOYSA-N 0 1 421.994 3.529 50 0 HHAAMN COc1ccc([C@H](CNC(=O)CSc2nc(C)cc(C)n2)N2CCCCC2)cc1 ZINC000012598776 568869322 /nfs/dbraw/zinc/86/93/22/568869322.db2.gz AIXIHMVUTGGBFZ-FQEVSTJZSA-N 0 1 414.575 3.538 50 0 HHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000003310297 568877867 /nfs/dbraw/zinc/87/78/67/568877867.db2.gz HMHUOOLQVYHAOG-UHFFFAOYSA-N 0 1 419.919 3.740 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000003448294 568904822 /nfs/dbraw/zinc/90/48/22/568904822.db2.gz HTDUXQNURADVIO-UHFFFAOYSA-N 0 1 424.522 3.859 50 0 HHAAMN COc1ccc([C@@H]2CCCCCN2[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000012700343 568917398 /nfs/dbraw/zinc/91/73/98/568917398.db2.gz LIFATGKQRGBHTA-UWJYYQICSA-N 0 1 407.514 3.986 50 0 HHAAMN O=C(c1[nH]nc2ccccc21)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000031298934 568922455 /nfs/dbraw/zinc/92/24/55/568922455.db2.gz GFBQNHOJPBJPNS-UHFFFAOYSA-N 0 1 409.799 3.593 50 0 HHAAMN Cc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(-c4ccno4)o3)C(C)C)[nH]c2c1 ZINC000670458675 568945008 /nfs/dbraw/zinc/94/50/08/568945008.db2.gz XZVQCHKZSSAPBA-SFHVURJKSA-N 0 1 400.460 3.795 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2[O-])[NH+]2CCCC2)cc1 ZINC000012777696 568955854 /nfs/dbraw/zinc/95/58/54/568955854.db2.gz IDBIIICEKOSNTP-GOSISDBHSA-N 0 1 419.319 3.730 50 0 HHAAMN Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 ZINC000004270518 568956760 /nfs/dbraw/zinc/95/67/60/568956760.db2.gz KSFHYCACWGFYCL-UHFFFAOYSA-N 0 1 410.499 3.763 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n[nH]2)cc1C ZINC000015680729 568967504 /nfs/dbraw/zinc/96/75/04/568967504.db2.gz RULFJTKZIRYWFF-UHFFFAOYSA-N 0 1 422.916 3.945 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)c1cc(Cl)c(OC)c(OC)c1)N1CCCC1 ZINC000012798710 568977505 /nfs/dbraw/zinc/97/75/05/568977505.db2.gz OPPIGWJUYNQMIM-SFHVURJKSA-N 0 1 418.921 3.933 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)c(OC)c(OC)c1)N1CCCC1 ZINC000012798707 568977527 /nfs/dbraw/zinc/97/75/27/568977527.db2.gz OPPIGWJUYNQMIM-GOSISDBHSA-N 0 1 418.921 3.933 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000008374046 568995653 /nfs/dbraw/zinc/99/56/53/568995653.db2.gz FOEWVLSKGGPAFU-SFHVURJKSA-N 0 1 400.837 3.692 50 0 HHAAMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1csc(COc2ccc(F)cc2)n1 ZINC000012937578 569027916 /nfs/dbraw/zinc/02/79/16/569027916.db2.gz PETCDSBETLRQJM-SFHVURJKSA-N 0 1 411.502 3.866 50 0 HHAAMN Cc1cccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1 ZINC000035347822 569033411 /nfs/dbraw/zinc/03/34/11/569033411.db2.gz JFQGNNCALWRPAA-XWEVFREBSA-N 0 1 405.542 3.571 50 0 HHAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccccc1)=N2 ZINC000035372686 569033733 /nfs/dbraw/zinc/03/37/33/569033733.db2.gz VFANGPRQYIWQNF-UHFFFAOYSA-N 0 1 410.518 3.821 50 0 HHAAMN Cc1ccccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccccc1 ZINC000035372492 569033885 /nfs/dbraw/zinc/03/38/85/569033885.db2.gz JVHCVIYKLPAWNY-UHFFFAOYSA-N 0 1 406.555 3.990 50 0 HHAAMN O=C1CCCN1CCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000064139228 569044859 /nfs/dbraw/zinc/04/48/59/569044859.db2.gz RVGLKUCAUFJMLC-UHFFFAOYSA-N 0 1 413.512 3.684 50 0 HHAAMN CCc1c(C)sc2ncn3nc(-c4cc(-c5ccc6c(c5)OCO6)n[nH]4)nc3c12 ZINC000006412690 569046809 /nfs/dbraw/zinc/04/68/09/569046809.db2.gz CJXSTMHQWTUGAX-UHFFFAOYSA-N 0 1 404.455 3.996 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)COc1cc(C)ccc1Cl)N1CCCC1 ZINC000013010613 569050084 /nfs/dbraw/zinc/05/00/84/569050084.db2.gz ZILSQBUCZIHTJN-LJQANCHMSA-N 0 1 402.922 3.989 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000252394302 569057857 /nfs/dbraw/zinc/05/78/57/569057857.db2.gz FUQKGAWRINVOJB-YDYCPSOVSA-N 0 1 418.559 3.865 50 0 HHAAMN CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064590001 569069130 /nfs/dbraw/zinc/06/91/30/569069130.db2.gz DQQZJYHYPSWQIB-UHFFFAOYSA-N 0 1 413.493 3.831 50 0 HHAAMN CCOC(=O)C1=C(CN2CCC(C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000035991520 569074658 /nfs/dbraw/zinc/07/46/58/569074658.db2.gz UBULVZPJXXSZTP-FQEVSTJZSA-N 0 1 419.953 3.975 50 0 HHAAMN CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2([O-])C(F)(F)F ZINC000036056961 569084568 /nfs/dbraw/zinc/08/45/68/569084568.db2.gz OSUFIZIKVFXQCL-CEFVDNRUSA-N 0 1 406.499 3.667 50 0 HHAAMN COc1cccc(CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103639 569092359 /nfs/dbraw/zinc/09/23/59/569092359.db2.gz NWDIHKQJEHSWQA-OAQYLSRUSA-N 0 1 411.498 3.877 50 0 HHAAMN CC(C)(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145864 569098382 /nfs/dbraw/zinc/09/83/82/569098382.db2.gz DQFGLAYYLOBEOW-YADHBBJMSA-N 0 1 414.521 3.997 50 0 HHAAMN CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145860 569098431 /nfs/dbraw/zinc/09/84/31/569098431.db2.gz NTXHCBQLLQWMFO-PKTZIBPZSA-N 0 1 414.521 3.854 50 0 HHAAMN COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146560 569098801 /nfs/dbraw/zinc/09/88/01/569098801.db2.gz SWEBFGJOZJHYJF-UXHICEINSA-N 0 1 423.340 3.996 50 0 HHAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000064837430 569104580 /nfs/dbraw/zinc/10/45/80/569104580.db2.gz SQUKTRXJZAFFLG-UHFFFAOYSA-N 0 1 415.471 3.726 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1OC ZINC000064837334 569105155 /nfs/dbraw/zinc/10/51/55/569105155.db2.gz LMXHFHAQJIKZNT-UHFFFAOYSA-N 0 1 418.471 3.785 50 0 HHAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000006744741 569107580 /nfs/dbraw/zinc/10/75/80/569107580.db2.gz CXMCRBBRYXCCAI-HSZRJFAPSA-N 0 1 412.449 3.931 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952123 569132659 /nfs/dbraw/zinc/13/26/59/569132659.db2.gz GLDQNECBCPMVCW-UHFFFAOYSA-N 0 1 406.529 3.735 50 0 HHAAMN CCCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340312 569141664 /nfs/dbraw/zinc/14/16/64/569141664.db2.gz HWPKHCFCYBSSHB-QHCPKHFHSA-N 0 1 410.606 3.974 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2C)CC1 ZINC000036344876 569142781 /nfs/dbraw/zinc/14/27/81/569142781.db2.gz HDHAEEHHVDLKSO-RUZDIDTESA-N 0 1 418.585 3.927 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)Nc2ccc(C)cc2C)c(C)n1C ZINC000065194172 569192719 /nfs/dbraw/zinc/19/27/19/569192719.db2.gz KYXFHQHHKHSBIK-UHFFFAOYSA-N 0 1 400.504 3.987 50 0 HHAAMN O=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3cc(Cl)ccc3F)cc2C1 ZINC000065196253 569194588 /nfs/dbraw/zinc/19/45/88/569194588.db2.gz LKNZSYFXABKHEK-UHFFFAOYSA-N 0 1 414.911 3.636 50 0 HHAAMN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)C1 ZINC000007252256 569230410 /nfs/dbraw/zinc/23/04/10/569230410.db2.gz SRRFLLSNAJJCRL-RYUDHWBXSA-N 0 1 409.353 3.831 50 0 HHAAMN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cn[nH]c2C)c1 ZINC000170594246 569241345 /nfs/dbraw/zinc/24/13/45/569241345.db2.gz XZASHXZIGRGYTO-UHFFFAOYSA-N 0 1 401.470 3.569 50 0 HHAAMN COc1ccc(SCC(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1 ZINC000010219151 569253828 /nfs/dbraw/zinc/25/38/28/569253828.db2.gz RSBXFPKPGVNFHX-UHFFFAOYSA-N 0 1 401.557 3.992 50 0 HHAAMN CC(C)(O)[C@@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000089761623 569263524 /nfs/dbraw/zinc/26/35/24/569263524.db2.gz PUNHDKQWQBPEAM-YJBOKZPZSA-N 0 1 403.573 3.723 50 0 HHAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000017012279 569271626 /nfs/dbraw/zinc/27/16/26/569271626.db2.gz JNGGMMAMJUITQE-UHFFFAOYSA-N 0 1 407.562 3.645 50 0 HHAAMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000007729040 569303483 /nfs/dbraw/zinc/30/34/83/569303483.db2.gz KKOGIWHRVXQMOE-UHFFFAOYSA-N 0 1 409.389 3.895 50 0 HHAAMN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000007927843 569327390 /nfs/dbraw/zinc/32/73/90/569327390.db2.gz HYDTVMRNTSBMEL-UHFFFAOYSA-N 0 1 414.405 3.790 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000002279229 569328016 /nfs/dbraw/zinc/32/80/16/569328016.db2.gz IIVIDDUDYYSMQA-RYUDHWBXSA-N 0 1 422.323 3.633 50 0 HHAAMN O=C1OCCN1c1ccccc1NS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000079106681 569427753 /nfs/dbraw/zinc/42/77/53/569427753.db2.gz GZULZYVUCIWNRI-UHFFFAOYSA-N 0 1 409.876 3.707 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(C)C)[n-]c(=O)c2C1 ZINC000067291917 571068282 /nfs/dbraw/zinc/06/82/82/571068282.db2.gz UMUGWQLJDKTROZ-UHFFFAOYSA-N 0 1 400.548 3.805 50 0 HHAAMN O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1O)NCc1ccc(Cl)cc1 ZINC000008704863 571103269 /nfs/dbraw/zinc/10/32/69/571103269.db2.gz YYMOUCWJIUPTOR-MRXNPFEDSA-N 0 1 412.902 3.506 50 0 HHAAMN O=C(CC1SC(Cc2nc3ccccc3[nH]2)=NC1=O)NCc1ccc(Cl)cc1 ZINC000008704863 571103271 /nfs/dbraw/zinc/10/32/71/571103271.db2.gz YYMOUCWJIUPTOR-MRXNPFEDSA-N 0 1 412.902 3.506 50 0 HHAAMN Cc1[nH]c(SCc2cccc(S(=O)(=O)N(C)C)c2)nc1Cc1ccccc1 ZINC000008719661 571106392 /nfs/dbraw/zinc/10/63/92/571106392.db2.gz AUVFIBOQCRCIKM-UHFFFAOYSA-N 0 1 401.557 3.852 50 0 HHAAMN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000008840597 571123795 /nfs/dbraw/zinc/12/37/95/571123795.db2.gz ZWDXAWQVVINSDX-UHFFFAOYSA-N 0 1 408.907 3.839 50 0 HHAAMN COc1ccc(CN2CCCN(C(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1 ZINC000040086987 571157637 /nfs/dbraw/zinc/15/76/37/571157637.db2.gz JLPJYNWBXIZCBI-UHFFFAOYSA-N 0 1 422.529 3.747 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(Cl)c2)N(CCO)C3=O)cc1Cl ZINC000009124490 571225957 /nfs/dbraw/zinc/22/59/57/571225957.db2.gz YGAZTPZEWUTBLD-LJQANCHMSA-N 0 1 418.280 3.935 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CC2)c1 ZINC000009646034 571276405 /nfs/dbraw/zinc/27/64/05/571276405.db2.gz RNWOUENLWGOVPS-LBPRGKRZSA-N 0 1 408.907 3.678 50 0 HHAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)n1C ZINC000009684748 571279590 /nfs/dbraw/zinc/27/95/90/571279590.db2.gz HIJJIMWLXIZHQB-UHFFFAOYSA-N 0 1 409.939 3.641 50 0 HHAAMN CCc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684973 571279649 /nfs/dbraw/zinc/27/96/49/571279649.db2.gz BOILLIOBKPHYAO-UHFFFAOYSA-N 0 1 403.548 3.631 50 0 HHAAMN CSc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000009685068 571279697 /nfs/dbraw/zinc/27/96/97/571279697.db2.gz RZOBEMCVALSPFX-UHFFFAOYSA-N 0 1 421.588 3.791 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2c(C)cccc2C)c(C)n1C ZINC000009684963 571279701 /nfs/dbraw/zinc/27/97/01/571279701.db2.gz KRPIYLWWGRJSHM-UHFFFAOYSA-N 0 1 403.548 3.686 50 0 HHAAMN NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000009902859 571289931 /nfs/dbraw/zinc/28/99/31/571289931.db2.gz FIGWCEODHNXODY-UHFFFAOYSA-N 0 1 409.877 3.682 50 0 HHAAMN O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCCN1CCCn1cccn1 ZINC000011820812 962199961 /nfs/dbraw/zinc/19/99/61/962199961.db2.gz KFGMFWZGEORNEF-NRFANRHFSA-N 0 1 405.502 3.954 50 0 HHAAMN Cc1csc(CNC(=O)c2cccc(OC3CCN(Cc4ccncc4)CC3)c2)n1 ZINC000011843795 962202001 /nfs/dbraw/zinc/20/20/01/962202001.db2.gz WOURQQNAKGNRJL-UHFFFAOYSA-N 0 1 422.554 3.820 50 0 HHAAMN C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000012149193 962246353 /nfs/dbraw/zinc/24/63/53/962246353.db2.gz MMUKZBSDIMKJEH-KRWDZBQOSA-N 0 1 422.481 3.838 50 0 HHAAMN C[C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014174278 962440302 /nfs/dbraw/zinc/44/03/02/962440302.db2.gz JQCQRCHXFGFZFK-KFRNIWOLSA-N 0 1 412.446 3.962 50 0 HHAAMN c1ccc(COc2ccc(CN3CCc4nnc([C@@H]5CCCO5)n4CC3)cc2)cc1 ZINC000023153256 963775642 /nfs/dbraw/zinc/77/56/42/963775642.db2.gz LJTLBABWAHGEPL-QFIPXVFZSA-N 0 1 404.514 3.767 50 0 HHAAMN c1ccc(COc2ccc(CN3CCc4nnc([C@H]5CCCO5)n4CC3)cc2)cc1 ZINC000023153255 963775780 /nfs/dbraw/zinc/77/57/80/963775780.db2.gz LJTLBABWAHGEPL-JOCHJYFZSA-N 0 1 404.514 3.767 50 0 HHAAMN O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000063846113 966975761 /nfs/dbraw/zinc/97/57/61/966975761.db2.gz AFTPBICBUCBAEZ-OAHLLOKOSA-N 0 1 409.500 3.564 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C\c2ccc(OC(F)(F)F)cc2)c1 ZINC000096875830 969053967 /nfs/dbraw/zinc/05/39/67/969053967.db2.gz ASSAQSZFQGWBJM-YHYXMXQVSA-N 0 1 415.389 3.736 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)NCCCOCc3ccccc3)n2)o1 ZINC000096941514 969059680 /nfs/dbraw/zinc/05/96/80/969059680.db2.gz JRRIXBTZLXSJHI-KHPPLWFESA-N 0 1 412.515 3.692 50 0 HHAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ncnc4[nH]cnc43)C2=O)cc1C ZINC000105321466 969230656 /nfs/dbraw/zinc/23/06/56/969230656.db2.gz QBUSEXXRXLUOPN-VCHYOVAHSA-N 0 1 410.437 3.610 50 0 HHAAMN Cc1nnc([C@H]2CC3(CN2CC(C)C)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC3)o1 ZINC000257192989 970625100 /nfs/dbraw/zinc/62/51/00/970625100.db2.gz WVOSKKDVIVMUOG-HXUWFJFHSA-N 0 1 412.534 3.761 50 0 HHAAMN COc1ccccc1N1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000004706897 132284414 /nfs/dbraw/zinc/28/44/14/132284414.db2.gz WJNPANGSCRVXRF-UHFFFAOYSA-N 0 1 418.335 3.609 50 0 HHAAMN Nc1cc(N)nc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1 ZINC000006830483 132318163 /nfs/dbraw/zinc/31/81/63/132318163.db2.gz XJVMAHJAMLIFFX-HNNXBMFYSA-N 0 1 409.540 3.613 50 0 HHAAMN CCCCOc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1 ZINC000009620654 132341817 /nfs/dbraw/zinc/34/18/17/132341817.db2.gz HZKLPHTVHLYPIZ-UHFFFAOYSA-N 0 1 423.561 3.527 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009906325 132343963 /nfs/dbraw/zinc/34/39/63/132343963.db2.gz SUKLLAHPARSOFA-UHFFFAOYSA-N 0 1 422.312 3.784 50 0 HHAAMN CC(C)c1ccc(S(=O)(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000032916439 519838582 /nfs/dbraw/zinc/83/85/82/519838582.db2.gz WNXUDRNMDZMSQB-FQEVSTJZSA-N 0 1 415.603 3.689 50 0 HHAAMN CCOc1ccccc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000031815023 521532297 /nfs/dbraw/zinc/53/22/97/521532297.db2.gz QXTZLYGWGJSUCQ-OAHLLOKOSA-N 0 1 411.849 3.519 50 0 HHAAMN CCN1CCN(CCOc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)CC1 ZINC000020589351 521683808 /nfs/dbraw/zinc/68/38/08/521683808.db2.gz NHDTZIBAIUIMTA-UHFFFAOYSA-N 0 1 422.525 3.793 50 0 biogenic HHAAMN CN1CCN(c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)nc2)CC1 ZINC000032937042 523925717 /nfs/dbraw/zinc/92/57/17/523925717.db2.gz LUMVVOKZAYNKFN-UHFFFAOYSA-N 0 1 400.482 3.710 50 0 HHAAMN Cc1ccc(CN2CCCN(C(=O)c3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000045014419 524445497 /nfs/dbraw/zinc/44/54/97/524445497.db2.gz PTOYBUVXWLBKEE-UHFFFAOYSA-N 0 1 418.541 3.656 50 0 HHAAMN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccsc3)CC2)cc1Cl ZINC000043954011 525055738 /nfs/dbraw/zinc/05/57/38/525055738.db2.gz GQHSBPOAAVYRSG-UHFFFAOYSA-N 0 1 414.980 3.601 50 0 HHAAMN O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1ccc2c(c1)CCCC2 ZINC000043953950 527213141 /nfs/dbraw/zinc/21/31/41/527213141.db2.gz SULKTCQZSKBJTE-UHFFFAOYSA-N 0 1 404.601 3.817 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OC[C@H]1CCCO1 ZINC000000853930 557101938 /nfs/dbraw/zinc/10/19/38/557101938.db2.gz HDWVVZKNCFAWCI-IRLDBZIGSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN CCOC(=O)N[C@](Nc1ccccc1C(F)(F)F)(C(=O)OCC)C(F)(F)F ZINC000003138064 557450433 /nfs/dbraw/zinc/45/04/33/557450433.db2.gz HJIQCUIRMMATET-CYBMUJFWSA-N 0 1 402.291 3.685 50 0 HHAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)C1CC1 ZINC000034834951 557467531 /nfs/dbraw/zinc/46/75/31/557467531.db2.gz IFXKCGRDXKFADW-LJQANCHMSA-N 0 1 423.605 3.860 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3F)n2)cc1 ZINC000004499995 557560453 /nfs/dbraw/zinc/56/04/53/557560453.db2.gz DFHLVTUJDQUUTG-VOTSOKGWSA-N 0 1 412.446 3.545 50 0 HHAAMN N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1c1ccccc1 ZINC000004664592 557578404 /nfs/dbraw/zinc/57/84/04/557578404.db2.gz QOWFAWITESPICY-CQSZACIVSA-N 0 1 404.289 3.861 50 0 HHAAMN CCOc1ccc(CC2CCN([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000004738753 557589927 /nfs/dbraw/zinc/58/99/27/557589927.db2.gz FCKJNMAFSNSPPC-QHCPKHFHSA-N 0 1 406.526 3.980 50 0 HHAAMN CCC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(CC)ccc3OC)ccc21 ZINC000022666450 557719978 /nfs/dbraw/zinc/71/99/78/557719978.db2.gz CXHBXRPZLCTSPM-UHFFFAOYSA-N 0 1 402.516 3.748 50 0 HHAAMN COc1cc(NC(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc(OC)c1OC ZINC000022766944 557814977 /nfs/dbraw/zinc/81/49/77/557814977.db2.gz GYNOXAKPYBCGCF-INIZCTEOSA-N 0 1 405.520 3.733 50 0 HHAAMN CCCCC(=O)N[C@](Nc1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F ZINC000009012548 557819097 /nfs/dbraw/zinc/81/90/97/557819097.db2.gz MLLWGBQNDAHYFA-INIZCTEOSA-N 0 1 403.426 3.836 50 0 HHAAMN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@@H]2[C@@H]1CC=CCC1 ZINC000009052910 557820591 /nfs/dbraw/zinc/82/05/91/557820591.db2.gz ONQFQSBELPLCJS-IERDGZPVSA-N 0 1 402.502 3.502 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2Cl)N2CCN(C)CC2)cc1 ZINC000022794414 557822022 /nfs/dbraw/zinc/82/20/22/557822022.db2.gz XJEHKKQVQUIIKM-FQEVSTJZSA-N 0 1 422.356 3.721 50 0 HHAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cn(Cc4ccc(F)cc4)nn3)[nH]c2c1 ZINC000011664697 558268149 /nfs/dbraw/zinc/26/81/49/558268149.db2.gz WRNRACPDMWLVSN-FQEVSTJZSA-N 0 1 404.449 3.628 50 0 HHAAMN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000019773998 558280871 /nfs/dbraw/zinc/28/08/71/558280871.db2.gz JDCDWEDQQHQOHR-SFHVURJKSA-N 0 1 423.586 3.780 50 0 HHAAMN Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)o1 ZINC000011819162 558282484 /nfs/dbraw/zinc/28/24/84/558282484.db2.gz BFALRJVMXYFOJJ-KRWDZBQOSA-N 0 1 400.548 3.914 50 0 HHAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000019837368 558292999 /nfs/dbraw/zinc/29/29/99/558292999.db2.gz LVCKUPCDNXKXEH-UHFFFAOYSA-N 0 1 417.575 3.606 50 0 HHAAMN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)no2)cc1 ZINC000011905213 558295757 /nfs/dbraw/zinc/29/57/57/558295757.db2.gz DEUUFNIMVICVOQ-QFIPXVFZSA-N 0 1 421.497 3.926 50 0 HHAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3nonc3c2)CC1 ZINC000011933710 558298315 /nfs/dbraw/zinc/29/83/15/558298315.db2.gz GWPFTRHLVYNPFY-UHFFFAOYSA-N 0 1 409.486 3.837 50 0 HHAAMN CCc1ocnc1C(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000011996655 558306927 /nfs/dbraw/zinc/30/69/27/558306927.db2.gz FFFKBYQHHULZAF-INIZCTEOSA-N 0 1 403.473 3.890 50 0 HHAAMN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@H]2COCCO2)c(F)c1 ZINC000012092490 558324474 /nfs/dbraw/zinc/32/44/74/558324474.db2.gz GXGCRHVTYQJWIX-FQEVSTJZSA-N 0 1 411.477 3.534 50 0 HHAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 ZINC000012206885 558352983 /nfs/dbraw/zinc/35/29/83/558352983.db2.gz IJPWWTPFLGHENV-QGZVFWFLSA-N 0 1 403.498 3.878 50 0 HHAAMN CC[C@H]1CN(CCC(=O)N[C@@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012245668 558361528 /nfs/dbraw/zinc/36/15/28/558361528.db2.gz YEXCSVRASVCNKZ-YOEHRIQHSA-N 0 1 403.548 3.701 50 0 HHAAMN O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000012299109 558369197 /nfs/dbraw/zinc/36/91/97/558369197.db2.gz NXNOJOWKIDNUQT-AREMUKBSSA-N 0 1 406.570 3.710 50 0 HHAAMN COc1cccc(CN2CCC[C@H](NC(=O)CSc3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000012307106 558375819 /nfs/dbraw/zinc/37/58/19/558375819.db2.gz DEWOVGGQXHGIGU-SFHVURJKSA-N 0 1 424.570 3.753 50 0 HHAAMN CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 ZINC000012307518 558376154 /nfs/dbraw/zinc/37/61/54/558376154.db2.gz BEMFMXSHFMBHKY-UHFFFAOYSA-N 0 1 405.502 3.941 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2F)c1 ZINC000020721220 558402946 /nfs/dbraw/zinc/40/29/46/558402946.db2.gz BKVWHWOYLHNYFC-HXUWFJFHSA-N 0 1 424.432 3.524 50 0 HHAAMN COc1ccc(Cc2nc3ccc(C(=O)N(C)Cc4cc(C)[nH]n4)cc3o2)cc1OC ZINC000012433293 558407325 /nfs/dbraw/zinc/40/73/25/558407325.db2.gz UYUOWQDEXYJNPF-UHFFFAOYSA-N 0 1 420.469 3.740 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2F)cc1 ZINC000020744724 558409510 /nfs/dbraw/zinc/40/95/10/558409510.db2.gz CEUULLYREYCYRV-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN c1ccc(CCc2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020784114 558413566 /nfs/dbraw/zinc/41/35/66/558413566.db2.gz RBCYSMKKPFYTLJ-HSZRJFAPSA-N 0 1 402.542 3.530 50 0 HHAAMN CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000012456162 558417277 /nfs/dbraw/zinc/41/72/77/558417277.db2.gz IGJSYPCQUBNIJH-UHFFFAOYSA-N 0 1 422.485 3.857 50 0 HHAAMN Cc1ccccc1Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1cnn2C ZINC000021928599 558455867 /nfs/dbraw/zinc/45/58/67/558455867.db2.gz HYSWHCZGXOSXNA-UHFFFAOYSA-N 0 1 413.529 3.738 50 0 HHAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccc1Sc1nncn1C ZINC000012789685 558464728 /nfs/dbraw/zinc/46/47/28/558464728.db2.gz RPPYBRPDKNGDAG-UHFFFAOYSA-N 0 1 412.899 3.868 50 0 HHAAMN Cc1ccc2c(C)c(CCC(=O)NC[C@H](c3cccc(F)c3)N(C)C)c(=O)oc2c1 ZINC000012942029 558487103 /nfs/dbraw/zinc/48/71/03/558487103.db2.gz YYWCKDUKODHDPS-OAQYLSRUSA-N 0 1 410.489 3.901 50 0 HHAAMN C[C@@H](C(=O)NCCc1cccs1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022803562 558513460 /nfs/dbraw/zinc/51/34/60/558513460.db2.gz BJHHCXNKQJUYMI-IBGZPJMESA-N 0 1 407.583 3.766 50 0 HHAAMN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 ZINC000022916481 558521633 /nfs/dbraw/zinc/52/16/33/558521633.db2.gz XPRMUYGWWQHZIE-KRWDZBQOSA-N 0 1 416.363 3.636 50 0 HHAAMN COc1ccc(NC(=O)[C@H](C)N2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000022916454 558521688 /nfs/dbraw/zinc/52/16/88/558521688.db2.gz ARZXKPSUYMHYMF-KRWDZBQOSA-N 0 1 401.938 3.536 50 0 HHAAMN O=C(CCN1CCN(CCOc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000022932161 558524709 /nfs/dbraw/zinc/52/47/09/558524709.db2.gz SQQYQENNZYRABN-UHFFFAOYSA-N 0 1 403.526 3.865 50 0 HHAAMN OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCN1CCc1ccccc1 ZINC000022932730 558524889 /nfs/dbraw/zinc/52/48/89/558524889.db2.gz HWASPSPGVHLQBT-QFIPXVFZSA-N 0 1 407.583 3.921 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)N2CCCC2)cc1 ZINC000014094461 558619466 /nfs/dbraw/zinc/61/94/66/558619466.db2.gz OQJRWGROZLZHNA-GOSISDBHSA-N 0 1 402.878 3.644 50 0 HHAAMN O=C(Nc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1)c1ccc(Cl)cc1Cl ZINC000014114872 558621533 /nfs/dbraw/zinc/62/15/33/558621533.db2.gz CHRWFIKAJCNEFA-HNNXBMFYSA-N 0 1 413.326 3.522 50 0 HHAAMN O=C(CN1CCCC1)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000025418599 558640410 /nfs/dbraw/zinc/64/04/10/558640410.db2.gz NPDRRZBYLKAIED-IBGZPJMESA-N 0 1 402.420 3.883 50 0 HHAAMN O=C(CN1CCCC1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000025418599 558640412 /nfs/dbraw/zinc/64/04/12/558640412.db2.gz NPDRRZBYLKAIED-IBGZPJMESA-N 0 1 402.420 3.883 50 0 HHAAMN CN1CCN([C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000027793502 558682718 /nfs/dbraw/zinc/68/27/18/558682718.db2.gz LFBHIGZUDFBARN-FQEVSTJZSA-N 0 1 406.357 3.641 50 0 HHAAMN COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2F)N2CCCCC2)cc1 ZINC000027794318 558682893 /nfs/dbraw/zinc/68/28/93/558682893.db2.gz KUGQEVHCUDJCHY-UTKZUKDTSA-N 0 1 400.494 3.945 50 0 HHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000014970140 558687120 /nfs/dbraw/zinc/68/71/20/558687120.db2.gz JHMCTLPZPBIZFH-INIZCTEOSA-N 0 1 403.498 3.878 50 0 HHAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)ccc3O)c2[C@H]1c1ccccc1F ZINC000027991742 558688256 /nfs/dbraw/zinc/68/82/56/558688256.db2.gz UAWOHEOTBNYPPO-LJQANCHMSA-N 0 1 401.825 3.766 50 0 HHAAMN CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCCc1cccc(Cl)c1 ZINC000014994018 558695537 /nfs/dbraw/zinc/69/55/37/558695537.db2.gz AJDODFCUOPXHJA-UHFFFAOYSA-N 0 1 424.932 3.596 50 0 HHAAMN O=C(CCC1CCN(Cc2ccccc2OC(F)F)CC1)NCc1cccnc1 ZINC000015061647 558704754 /nfs/dbraw/zinc/70/47/54/558704754.db2.gz NQAYPFNEWALTPU-UHFFFAOYSA-N 0 1 403.473 3.992 50 0 HHAAMN O=C(c1ccco1)N1CCC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265675 558735591 /nfs/dbraw/zinc/73/55/91/558735591.db2.gz JPQUUYVHJMEBAF-HSZRJFAPSA-N 0 1 401.470 3.595 50 0 biogenic HHAAMN Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000038149286 558811038 /nfs/dbraw/zinc/81/10/38/558811038.db2.gz VSPBXXAVMJANBD-XMMPIXPASA-N 0 1 422.548 3.697 50 0 HHAAMN COc1ccc(-c2n[nH]c(S[C@H]3CC(=O)N(c4cccc(C)c4C)C3=O)n2)cc1 ZINC000018137152 558831970 /nfs/dbraw/zinc/83/19/70/558831970.db2.gz ISZTYBAUNHWEJK-KRWDZBQOSA-N 0 1 408.483 3.521 50 0 HHAAMN Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1Cc1cccc(Cl)c1 ZINC000054253560 558866936 /nfs/dbraw/zinc/86/69/36/558866936.db2.gz JEOOLVASALNNQK-UHFFFAOYSA-N 0 1 408.933 3.645 50 0 HHAAMN CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055226539 558876676 /nfs/dbraw/zinc/87/66/76/558876676.db2.gz IIWDWNYHEGFJHI-QFIPXVFZSA-N 0 1 407.514 3.573 50 0 aggregator HHAAMN CN(C)[C@@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1cccs1 ZINC000058162096 558905947 /nfs/dbraw/zinc/90/59/47/558905947.db2.gz MWXQYHQTPHDMHO-HNNXBMFYSA-N 0 1 424.452 3.772 50 0 HHAAMN CCOC(=O)c1c(NC(=O)CNCc2ccc(F)cc2)sc2c1CC[C@H](C)C2 ZINC000058219050 558913245 /nfs/dbraw/zinc/91/32/45/558913245.db2.gz ZHTQLCQRIUIUSX-ZDUSSCGKSA-N 0 1 404.507 3.917 50 0 HHAAMN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1CN1CCCC[C@H]1C ZINC000058964800 558931160 /nfs/dbraw/zinc/93/11/60/558931160.db2.gz SJQVWOPKGHARHO-GOSISDBHSA-N 0 1 414.571 3.785 50 0 HHAAMN CCNc1nc(C)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065361784 558972350 /nfs/dbraw/zinc/97/23/50/558972350.db2.gz GSURDOJIJNEVQM-UHFFFAOYSA-N 0 1 408.428 3.590 50 0 HHAAMN O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(I)cc1 ZINC000072414262 558977909 /nfs/dbraw/zinc/97/79/09/558977909.db2.gz KLLVQHGHBFIBTE-UHFFFAOYSA-N 0 1 410.236 3.640 50 0 HHAAMN Cc1c2cc(CNC(=O)[C@@H](C)CN3CCOCC3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000082106899 559038326 /nfs/dbraw/zinc/03/83/26/559038326.db2.gz OOSNBQHZAURYTE-INIZCTEOSA-N 0 1 409.505 3.867 50 0 HHAAMN O=C(CSc1c[nH]nn1)Nc1nnc(SCc2cccc3ccccc32)s1 ZINC000098086777 559065123 /nfs/dbraw/zinc/06/51/23/559065123.db2.gz NJBBSXJCRVWUES-UHFFFAOYSA-N 0 1 414.541 3.833 50 0 HHAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3ccn[nH]3)CC2)c1 ZINC000095523758 559085631 /nfs/dbraw/zinc/08/56/31/559085631.db2.gz JZBVYSLBUHHMIJ-UHFFFAOYSA-N 0 1 404.470 3.576 50 0 HHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100722334 559138493 /nfs/dbraw/zinc/13/84/93/559138493.db2.gz AJAPTWKTHVPRHV-YPAWHYETSA-N 0 1 418.424 3.885 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000004860742 559193073 /nfs/dbraw/zinc/19/30/73/559193073.db2.gz GWSSOODOEXHBJQ-RYUDHWBXSA-N 0 1 422.323 3.776 50 0 HHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 ZINC000004937368 559212187 /nfs/dbraw/zinc/21/21/87/559212187.db2.gz XQWGCTCMTJZRHI-UHFFFAOYSA-N 0 1 409.467 3.819 50 0 HHAAMN CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)c2)nn1 ZINC000005150726 559253624 /nfs/dbraw/zinc/25/36/24/559253624.db2.gz RMLFFOSUUCYSHI-UHFFFAOYSA-N 0 1 413.499 3.969 50 0 HHAAMN Cc1ccc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)o1 ZINC000011821257 559260440 /nfs/dbraw/zinc/26/04/40/559260440.db2.gz WQMJYFMJUYMFSR-UHFFFAOYSA-N 0 1 405.498 3.956 50 0 HHAAMN Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 ZINC000248072230 559275097 /nfs/dbraw/zinc/27/50/97/559275097.db2.gz ACJMSTQVVQYGQW-RDPSFJRHSA-N 0 1 403.482 3.570 50 0 HHAAMN Cn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2nc1CC[NH+]1CCCC1 ZINC000005204667 560539012 /nfs/dbraw/zinc/53/90/12/560539012.db2.gz CZAAQUGWDAQLHG-UHFFFAOYSA-N 0 1 418.950 3.666 50 0 HHAAMN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000005253042 560551763 /nfs/dbraw/zinc/55/17/63/560551763.db2.gz CJWLXMRDVCKPIG-OAQYLSRUSA-N 0 1 406.482 3.689 50 0 HHAAMN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000008977158 560640471 /nfs/dbraw/zinc/64/04/71/560640471.db2.gz VUNWUIWEIJFUFN-UHFFFAOYSA-N 0 1 416.886 3.932 50 0 HHAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c(C)c1 ZINC000085690516 560853182 /nfs/dbraw/zinc/85/31/82/560853182.db2.gz XACJCYOOBXPFJA-GOSISDBHSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c(Cl)c1 ZINC000085690524 560853199 /nfs/dbraw/zinc/85/31/99/560853199.db2.gz LQQSZTQQXMFUQW-MRXNPFEDSA-N 0 1 423.904 3.924 50 0 HHAAMN CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983672 560858893 /nfs/dbraw/zinc/85/88/93/560858893.db2.gz LPXHQSOXPKUHHD-LEWJYISDSA-N 0 1 420.912 3.872 50 0 HHAAMN CC(C)COC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984256 560858944 /nfs/dbraw/zinc/85/89/44/560858944.db2.gz NTXHCBQLLQWMFO-XZOQPEGZSA-N 0 1 414.521 3.854 50 0 HHAAMN O[C@@H](COCc1ccco1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983931 560858950 /nfs/dbraw/zinc/85/89/50/560858950.db2.gz SDYDBWPPZLNUJY-ISKFKSNPSA-N 0 1 420.509 3.853 50 0 HHAAMN CC(C)COC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982973 560859137 /nfs/dbraw/zinc/85/91/37/560859137.db2.gz RWTSNIIHWPDSRX-LEWJYISDSA-N 0 1 414.521 3.854 50 0 HHAAMN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1n[nH]c2ccccc21 ZINC000046919415 560879405 /nfs/dbraw/zinc/87/94/05/560879405.db2.gz UIPWYAKVQFRCSZ-QGZVFWFLSA-N 0 1 416.403 3.675 50 0 HHAAMN C[C@@H](NCC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000049592415 568452383 /nfs/dbraw/zinc/45/23/83/568452383.db2.gz XKESDFHYQUTMKU-CQSZACIVSA-N 0 1 406.935 3.670 50 0 HHAAMN COc1ccc(CCN(C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007015237 568468641 /nfs/dbraw/zinc/46/86/41/568468641.db2.gz ZEQJDDZUHBOUKY-SGGRRFJASA-N 0 1 400.563 3.652 50 0 HHAAMN Cc1cc(NC(=O)CCc2nc(CSc3nc4ccc(Cl)cc4[nH]3)no2)no1 ZINC000033271005 568512373 /nfs/dbraw/zinc/51/23/73/568512373.db2.gz MNRNWEIUKLHZAS-UHFFFAOYSA-N 0 1 418.866 3.759 50 0 HHAAMN CCc1ccccc1NC(=S)N(CCCN1CCN(C)CC1)Cc1ccco1 ZINC000020107842 568588361 /nfs/dbraw/zinc/58/83/61/568588361.db2.gz HITQQRWPIDEQMT-UHFFFAOYSA-N 0 1 400.592 3.679 50 0 HHAAMN CC(C)c1nnc(-c2ccccc2NC(=O)CCNC(=O)N(C)Cc2ccccc2)[nH]1 ZINC000095350597 568600940 /nfs/dbraw/zinc/60/09/40/568600940.db2.gz IINZIVXFQZFQFX-UHFFFAOYSA-N 0 1 420.517 3.765 50 0 HHAAMN CN1CCO[C@H]([C@H](NCc2ccc(-n3ccnc3)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000095451749 568614851 /nfs/dbraw/zinc/61/48/51/568614851.db2.gz QBEFGYMOMNOSAB-FCHUYYIVSA-N 0 1 414.912 3.826 50 0 HHAAMN COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccncc4)cs3)[nH]n2)cc1OC ZINC000095473579 568628886 /nfs/dbraw/zinc/62/88/86/568628886.db2.gz QQMUMSSZYQPGFE-UHFFFAOYSA-N 0 1 407.455 3.865 50 0 HHAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000020677526 568639712 /nfs/dbraw/zinc/63/97/12/568639712.db2.gz WKZMOTMODQSAAX-UHFFFAOYSA-N 0 1 405.546 3.754 50 0 HHAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000020677989 568639816 /nfs/dbraw/zinc/63/98/16/568639816.db2.gz WVUQGHHDBBXDIO-UHFFFAOYSA-N 0 1 405.546 3.836 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000020889955 568647656 /nfs/dbraw/zinc/64/76/56/568647656.db2.gz TYOBUSUQRPNPGW-UHFFFAOYSA-N 0 1 402.926 3.682 50 0 HHAAMN CN(C)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cn1 ZINC000225808086 568676200 /nfs/dbraw/zinc/67/62/00/568676200.db2.gz PQMFNIHTHDVGBW-JOCHJYFZSA-N 0 1 420.582 3.734 50 0 HHAAMN C[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)c1ccccc1 ZINC000095995763 568678930 /nfs/dbraw/zinc/67/89/30/568678930.db2.gz UBALRBIJMZKNPX-INIZCTEOSA-N 0 1 407.967 3.637 50 0 HHAAMN CCCN1CCN(C(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)CC1 ZINC000021530713 568710806 /nfs/dbraw/zinc/71/08/06/568710806.db2.gz ILNYNZHZPSMQSE-QHCPKHFHSA-N 0 1 405.542 3.636 50 0 HHAAMN O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324653 568733969 /nfs/dbraw/zinc/73/39/69/568733969.db2.gz PWAVGVZXDFUGSG-UHFFFAOYSA-N 0 1 409.877 3.616 50 0 HHAAMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1C ZINC000096324763 568734353 /nfs/dbraw/zinc/73/43/53/568734353.db2.gz RZCGDCYFZKWMMY-SFHVURJKSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)o1 ZINC000096379578 568741129 /nfs/dbraw/zinc/74/11/29/568741129.db2.gz ZTFXFDIJZPEHDT-UHFFFAOYSA-N 0 1 416.381 3.689 50 0 HHAAMN O=C(NC[C@H]1CCCO1)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000096490447 568754945 /nfs/dbraw/zinc/75/49/45/568754945.db2.gz WZTBMNHDPPAFKO-JOCHJYFZSA-N 0 1 413.949 3.571 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nc(C)no2)cc1)N1CCCC1 ZINC000025267087 568761087 /nfs/dbraw/zinc/76/10/87/568761087.db2.gz PKTXXGARAXSCBT-HXUWFJFHSA-N 0 1 406.486 3.621 50 0 HHAAMN OCCN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000025436716 568768981 /nfs/dbraw/zinc/76/89/81/568768981.db2.gz JXMKMWLYGSIWCA-UHFFFAOYSA-N 0 1 417.538 3.535 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C)n2)ccc1C ZINC000028194862 568781978 /nfs/dbraw/zinc/78/19/78/568781978.db2.gz GJWDBJIQLHMHPB-UHFFFAOYSA-N 0 1 411.483 3.760 50 0 HHAAMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000057378680 568830274 /nfs/dbraw/zinc/83/02/74/568830274.db2.gz IFVKGSUVXLKMSV-RTBURBONSA-N 0 1 407.558 3.976 50 0 HHAAMN CCN(Cc1ccccc1)CC1=NC(=O)N[C@H](c2cccc(Cl)c2)C1C(=O)OC ZINC000057415035 568833606 /nfs/dbraw/zinc/83/36/06/568833606.db2.gz HMPAZDFROMUKQO-HXUWFJFHSA-N 0 1 413.905 3.643 50 0 HHAAMN COc1ccc2nc(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000003047788 568849404 /nfs/dbraw/zinc/84/94/04/568849404.db2.gz OSVMRGRWISRIJP-MRXNPFEDSA-N 0 1 412.921 3.800 50 0 HHAAMN COc1ccc(C(=O)N2CCCC[C@@H]2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012605215 568870954 /nfs/dbraw/zinc/87/09/54/568870954.db2.gz LKXWOJPVALDATR-INIZCTEOSA-N 0 1 402.516 3.819 50 0 HHAAMN COc1ccc(C(=O)N2CCCC[C@H]2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012605217 568871052 /nfs/dbraw/zinc/87/10/52/568871052.db2.gz LKXWOJPVALDATR-MRXNPFEDSA-N 0 1 402.516 3.819 50 0 HHAAMN COc1ccc(N2C(=O)C[C@H](c3c(C)[nH]n(-c4cccc(Cl)c4)c3=O)C2=O)cc1 ZINC000299804146 568876890 /nfs/dbraw/zinc/87/68/90/568876890.db2.gz CLMRRTRHVAXITA-QGZVFWFLSA-N 0 1 411.845 3.595 50 0 HHAAMN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000031240764 568920522 /nfs/dbraw/zinc/92/05/22/568920522.db2.gz KPGAOTZNRJDYJF-UHFFFAOYSA-N 0 1 415.965 3.826 50 0 HHAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)CCN4C(C)=O)[nH]c2c1 ZINC000012733571 568923940 /nfs/dbraw/zinc/92/39/40/568923940.db2.gz CQPZQHJEEFESOG-UHFFFAOYSA-N 0 1 410.499 3.601 50 0 HHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccc(C(C)C)cc1)SCC(=O)N2 ZINC000031807834 568931643 /nfs/dbraw/zinc/93/16/43/568931643.db2.gz PPLFTSXDGKUYPG-SFHVURJKSA-N 0 1 419.514 3.745 50 0 HHAAMN Cc1cc(Br)c(O)c(C(=O)NCc2ccnc(N3CCCCC3)c2)c1 ZINC000084074630 568935667 /nfs/dbraw/zinc/93/56/67/568935667.db2.gz RLTWVNHWOIEUDK-UHFFFAOYSA-N 0 1 404.308 3.778 50 0 HHAAMN O=C(Nc1nnc(C(F)(F)F)s1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000059393282 568952874 /nfs/dbraw/zinc/95/28/74/568952874.db2.gz IBXBYRDJNRZRHR-UHFFFAOYSA-N 0 1 418.198 3.962 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000015728429 568979241 /nfs/dbraw/zinc/97/92/41/568979241.db2.gz BPZRRTOEVIDMAB-UHFFFAOYSA-N 0 1 422.528 3.719 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730487 568981016 /nfs/dbraw/zinc/98/10/16/568981016.db2.gz GEUXTPXJZYSEJT-JTQLQIEISA-N 0 1 412.920 3.972 50 0 HHAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(CCCO)C3=O)c1 ZINC000005343436 568985832 /nfs/dbraw/zinc/98/58/32/568985832.db2.gz WHVAZQAQJHDDDO-HXUWFJFHSA-N 0 1 411.889 3.980 50 0 HHAAMN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCN3CCCC3)cc1CC2 ZINC000015781658 569002774 /nfs/dbraw/zinc/00/27/74/569002774.db2.gz WHCZJDWKGZMJSY-UHFFFAOYSA-N 0 1 406.555 3.833 50 0 HHAAMN COc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc(Cl)c1OC ZINC000104479933 569008798 /nfs/dbraw/zinc/00/87/98/569008798.db2.gz BTHCLNVNFNWBHX-HXUWFJFHSA-N 0 1 418.965 3.734 50 0 HHAAMN COc1ccc(/C=C/CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000105281626 569009129 /nfs/dbraw/zinc/00/91/29/569009129.db2.gz OTXKROYQFNDYJJ-NVIZVJJSSA-N 0 1 410.558 3.594 50 0 HHAAMN CCOc1ccc(C[N@H+]2CCN(C/C=C/c3ccccc3OC)C[C@H]2CCO)cc1 ZINC000105268638 569009144 /nfs/dbraw/zinc/00/91/44/569009144.db2.gz LNDUVYGXYZIAIR-AVAOGFIGSA-N 0 1 410.558 3.676 50 0 HHAAMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000006141457 569014320 /nfs/dbraw/zinc/01/43/20/569014320.db2.gz IKSIJTCZNOGIJY-LBPRGKRZSA-N 0 1 411.487 3.558 50 0 HHAAMN Cc1cc(C)cc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1 ZINC000035485499 569039764 /nfs/dbraw/zinc/03/97/64/569039764.db2.gz ZHLKNLWCDJKAOX-IMQCZEGASA-N 0 1 419.569 3.879 50 0 HHAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000006364542 569046000 /nfs/dbraw/zinc/04/60/00/569046000.db2.gz LGGNDHFDPUAKIK-UHFFFAOYSA-N 0 1 409.463 3.765 50 0 HHAAMN O=S(=O)(Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1cccs1 ZINC000013006501 569049702 /nfs/dbraw/zinc/04/97/02/569049702.db2.gz DYSBADLWEHYUPP-UHFFFAOYSA-N 0 1 410.471 3.812 50 0 HHAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239164965 569054011 /nfs/dbraw/zinc/05/40/11/569054011.db2.gz NFRIQTUVSBIGGV-BDTNDASRSA-N 0 1 400.434 3.746 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2cccc(F)c2)c1 ZINC000006646444 569079247 /nfs/dbraw/zinc/07/92/47/569079247.db2.gz STJVUWDDMNODAY-UHFFFAOYSA-N 0 1 414.458 3.816 50 0 HHAAMN COc1cccc(CN2CC=C(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)c1 ZINC000064817990 569101226 /nfs/dbraw/zinc/10/12/26/569101226.db2.gz BMZHTNJWEHLGOG-UHFFFAOYSA-N 0 1 419.569 3.793 50 0 HHAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)cc1 ZINC000006753214 569111828 /nfs/dbraw/zinc/11/18/28/569111828.db2.gz HWNQCERKSJURJK-QFIPXVFZSA-N 0 1 407.470 3.681 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344504 569142659 /nfs/dbraw/zinc/14/26/59/569142659.db2.gz DVYAOOUTMBEIQF-DEOSSOPVSA-N 0 1 422.548 3.758 50 0 HHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000065115952 569179695 /nfs/dbraw/zinc/17/96/95/569179695.db2.gz KFTLFGIMOXKUFR-UHFFFAOYSA-N 0 1 419.434 3.557 50 0 HHAAMN CCCn1c(-c2cccc(C(=O)N3CCN(CC(C)C)CC3)c2)nc2cccnc21 ZINC000065172851 569189949 /nfs/dbraw/zinc/18/99/49/569189949.db2.gz SYLYJRAAANWJHZ-UHFFFAOYSA-N 0 1 405.546 3.922 50 0 HHAAMN CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000065194573 569192800 /nfs/dbraw/zinc/19/28/00/569192800.db2.gz NQWSZBRVHWCYJQ-UHFFFAOYSA-N 0 1 412.874 3.848 50 0 HHAAMN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3n[nH]c(-c4ccccc4)n3)c12 ZINC000065568348 569236249 /nfs/dbraw/zinc/23/62/49/569236249.db2.gz ARSKQNXCLQOMFU-UHFFFAOYSA-N 0 1 410.437 3.913 50 0 HHAAMN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)c12 ZINC000065568348 569236250 /nfs/dbraw/zinc/23/62/50/569236250.db2.gz ARSKQNXCLQOMFU-UHFFFAOYSA-N 0 1 410.437 3.913 50 0 HHAAMN CC(C)(O)[C@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000089761624 569263538 /nfs/dbraw/zinc/26/35/38/569263538.db2.gz PUNHDKQWQBPEAM-MAUKXSAKSA-N 0 1 403.573 3.723 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000002279228 569327948 /nfs/dbraw/zinc/32/79/48/569327948.db2.gz IIVIDDUDYYSMQA-VXGBXAGGSA-N 0 1 422.323 3.633 50 0 HHAAMN C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000253419148 569367671 /nfs/dbraw/zinc/36/76/71/569367671.db2.gz JZFSZIXWHHXPHF-SCLBCKFNSA-N 0 1 403.408 3.920 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCC(C)CC1 ZINC000002311105 569373780 /nfs/dbraw/zinc/37/37/80/569373780.db2.gz LWNXKHZOARTHFU-GFCCVEGCSA-N 0 1 422.323 3.776 50 0 HHAAMN COc1ccc([C@H](CC(=O)Nc2cccc(F)c2)c2c(O)cc(C)oc2=O)cc1O ZINC000253471523 569381058 /nfs/dbraw/zinc/38/10/58/569381058.db2.gz URJPQDLQUQBJLY-INIZCTEOSA-N 0 1 413.401 3.668 50 0 HHAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3C)[n-]c(=O)c2C1 ZINC000067291816 571068133 /nfs/dbraw/zinc/06/81/33/571068133.db2.gz HLXAGCUPGYUVIO-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3C)[n-]c(=O)c2C1 ZINC000067291816 571068136 /nfs/dbraw/zinc/06/81/36/571068136.db2.gz HLXAGCUPGYUVIO-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)N2CCCC2)cc1 ZINC000008879357 571131126 /nfs/dbraw/zinc/13/11/26/571131126.db2.gz RTPVDTPQRNUXNP-QHCPKHFHSA-N 0 1 404.514 3.507 50 0 HHAAMN O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008893219 571143142 /nfs/dbraw/zinc/14/31/42/571143142.db2.gz VFOIKTOLPIPINS-HXUWFJFHSA-N 0 1 403.592 3.788 50 0 HHAAMN C[C@H](Cc1ccccc1Cl)NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000040112101 571170162 /nfs/dbraw/zinc/17/01/62/571170162.db2.gz NEXWTFASXPZEPW-CYBMUJFWSA-N 0 1 401.919 3.850 50 0 HHAAMN COc1cccc([C@H](CNC(=O)Nc2cccc(-n3nc(C)cc3C)c2)N(C)C)c1 ZINC000040138993 571188940 /nfs/dbraw/zinc/18/89/40/571188940.db2.gz PPRYRVQOUQRKAI-QFIPXVFZSA-N 0 1 407.518 3.922 50 0 HHAAMN CCOC(=O)[C@@](NC(=O)OC(C)C)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000008974820 571197850 /nfs/dbraw/zinc/19/78/50/571197850.db2.gz FEZKLEQGWRYKGZ-HNNXBMFYSA-N 0 1 405.398 3.665 50 0 HHAAMN COC(=O)c1oc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1C ZINC000040154522 571201692 /nfs/dbraw/zinc/20/16/92/571201692.db2.gz WKYNFBPMACUCCE-UHFFFAOYSA-N 0 1 406.866 3.584 50 0 HHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccc(O)c1 ZINC000009052656 571216505 /nfs/dbraw/zinc/21/65/05/571216505.db2.gz NFCXFDACSJXAFA-UHFFFAOYSA-N 0 1 403.390 3.889 50 0 biogenic HHAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165874 571232507 /nfs/dbraw/zinc/23/25/07/571232507.db2.gz KLOXUGZIBVFGSY-UHFFFAOYSA-N 0 1 424.906 3.531 50 0 HHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(F)cc1 ZINC000009476816 571261631 /nfs/dbraw/zinc/26/16/31/571261631.db2.gz FZNSUHRJUUEMGO-UHFFFAOYSA-N 0 1 419.408 4.000 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2OC)cc1 ZINC000009511925 571264181 /nfs/dbraw/zinc/26/41/81/571264181.db2.gz HLIMXZQWBBJUIH-UHFFFAOYSA-N 0 1 418.496 3.818 50 0 HHAAMN CCOc1ccc(C(=O)Nc2c(N)nc(SCc3cc(C)ccc3C)[nH]c2=O)cc1 ZINC000009518178 571265489 /nfs/dbraw/zinc/26/54/89/571265489.db2.gz UIBYTLXGSOAIFL-UHFFFAOYSA-N 0 1 424.526 3.912 50 0 HHAAMN COc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1Cl ZINC000009529604 571266662 /nfs/dbraw/zinc/26/66/62/571266662.db2.gz IIXJOQDXQHMWGZ-LBPRGKRZSA-N 0 1 421.906 3.726 50 0 HHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(C)c3)c2)on1 ZINC000009637936 571275301 /nfs/dbraw/zinc/27/53/01/571275301.db2.gz KCQLVVVOGBIUCA-UHFFFAOYSA-N 0 1 416.455 3.636 50 0 HHAAMN CC(=O)Nc1nc(SCc2ccccc2C)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000009704243 571280708 /nfs/dbraw/zinc/28/07/08/571280708.db2.gz WVPMHFDOZLFKGV-UHFFFAOYSA-N 0 1 414.512 3.643 50 0 HHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](C)N3CCCC3)cc12 ZINC000071811795 571301979 /nfs/dbraw/zinc/30/19/79/571301979.db2.gz YBZZPHUVSGLOBQ-CQSZACIVSA-N 0 1 400.523 3.808 50 0 HHAAMN O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)Nc1ccc(F)cc1F ZINC000077200568 571313002 /nfs/dbraw/zinc/31/30/02/571313002.db2.gz ALQKQNWGQKHSLZ-UHFFFAOYSA-N 0 1 424.455 3.721 50 0 HHAAMN COCc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)o1 ZINC000012054824 962229951 /nfs/dbraw/zinc/22/99/51/962229951.db2.gz WFYLTHKFLRXRSB-JOCHJYFZSA-N 0 1 404.457 3.833 50 0 HHAAMN O=C1CCC2(CCN(Cc3ccc4nsnc4c3)CC2)N1Cc1ccccc1F ZINC000012100242 962238421 /nfs/dbraw/zinc/23/84/21/962238421.db2.gz WGHHQZBXDSPWCV-UHFFFAOYSA-N 0 1 410.518 3.988 50 0 HHAAMN COc1cc(OC)c(CN2CCN(Cc3ccccc3)CC2)cc1Br ZINC000019536581 963367388 /nfs/dbraw/zinc/36/73/88/963367388.db2.gz SBFHANNVEAYNQV-UHFFFAOYSA-N 0 1 405.336 3.784 50 0 HHAAMN CCOc1ccc2nc(N3CCC(N4CCC[C@H]4c4nonc4C)CC3)nc(C)c2c1 ZINC000299780499 970723387 /nfs/dbraw/zinc/72/33/87/970723387.db2.gz APRBHPGHYXUFNO-NRFANRHFSA-N 0 1 422.533 3.834 50 0 HHAAMN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000004917850 132294254 /nfs/dbraw/zinc/29/42/54/132294254.db2.gz GDYYOZDPDCUPME-IRXDYDNUSA-N 0 1 412.530 3.839 50 0 HHAAMN COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000006785784 132316449 /nfs/dbraw/zinc/31/64/49/132316449.db2.gz BQHFBBUTFMAHDX-UHFFFAOYSA-N 0 1 416.953 3.991 50 0 HHAAMN O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697985 132350014 /nfs/dbraw/zinc/35/00/14/132350014.db2.gz IQEOGHHEYCVRNG-UHFFFAOYSA-N 0 1 409.881 3.623 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)NCCSc2ccc(C)c(C)c2)c1 ZINC000032889561 521690202 /nfs/dbraw/zinc/69/02/02/521690202.db2.gz OCQPGTMIBPYBHV-UHFFFAOYSA-N 0 1 408.545 3.716 50 0 HHAAMN COc1ccc(CCN(C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032905341 523941369 /nfs/dbraw/zinc/94/13/69/523941369.db2.gz HLVSBLDJJHWHFA-QGZVFWFLSA-N 0 1 413.518 3.532 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C)cs2)cc1 ZINC000032904483 525089616 /nfs/dbraw/zinc/08/96/16/525089616.db2.gz XVTUADUAKLVULC-UHFFFAOYSA-N 0 1 403.485 3.513 50 0 HHAAMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000032776751 526170280 /nfs/dbraw/zinc/17/02/80/526170280.db2.gz MZDCWXGLYARLIN-UHFFFAOYSA-N 0 1 423.416 3.636 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000000682273 557056205 /nfs/dbraw/zinc/05/62/05/557056205.db2.gz HGHSHWYLTBCYRB-UHFFFAOYSA-N 0 1 410.499 3.763 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2ccc(Br)cc2)C1C(=O)OCCc1ccccc1 ZINC000000725467 557072986 /nfs/dbraw/zinc/07/29/86/557072986.db2.gz NEOGDKKGLMJWNS-SFHVURJKSA-N 0 1 415.287 3.863 50 0 HHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000001167133 557221855 /nfs/dbraw/zinc/22/18/55/557221855.db2.gz JULDJLOQXHJMIX-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000001464402 557268831 /nfs/dbraw/zinc/26/88/31/557268831.db2.gz ZRJSICPJGRBDAQ-NRFANRHFSA-N 0 1 402.454 3.649 50 0 HHAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NC1CCCC1 ZINC000002973734 557775866 /nfs/dbraw/zinc/77/58/66/557775866.db2.gz BDONZFOJXXDCAN-UHFFFAOYSA-N 0 1 410.337 3.661 50 0 HHAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000008901280 557813423 /nfs/dbraw/zinc/81/34/23/557813423.db2.gz GVOZMWNOSSHCPH-UHFFFAOYSA-N 0 1 417.268 3.663 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 ZINC000022766997 557815047 /nfs/dbraw/zinc/81/50/47/557815047.db2.gz GNRNRYHVLMQTHR-KRWDZBQOSA-N 0 1 408.955 3.520 50 0 HHAAMN COc1ccc(-n2cc(CN(C)C[C@@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000011661376 558265285 /nfs/dbraw/zinc/26/52/85/558265285.db2.gz TUIFMNBMCWMSSX-JOCHJYFZSA-N 0 1 411.477 3.534 50 0 HHAAMN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000011759666 558273154 /nfs/dbraw/zinc/27/31/54/558273154.db2.gz ZDOMLHDYGWJZOU-XMMPIXPASA-N 0 1 417.557 3.868 50 0 HHAAMN COc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011843688 558288515 /nfs/dbraw/zinc/28/85/15/558288515.db2.gz WZHHYVUZZVLARD-QHCPKHFHSA-N 0 1 403.494 3.669 50 0 HHAAMN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842053 558294281 /nfs/dbraw/zinc/29/42/81/558294281.db2.gz UNWXPWPWYIOSRQ-NRFANRHFSA-N 0 1 401.501 3.760 50 0 HHAAMN COc1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 ZINC000011934118 558298714 /nfs/dbraw/zinc/29/87/14/558298714.db2.gz ZAGAYOJZYQAPMC-QFIPXVFZSA-N 0 1 403.906 3.895 50 0 HHAAMN CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)cn1 ZINC000012073619 558318468 /nfs/dbraw/zinc/31/84/68/558318468.db2.gz YXPSASLCGKFMHP-UHFFFAOYSA-N 0 1 410.547 3.581 50 0 HHAAMN CC(=O)c1cccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012074076 558318951 /nfs/dbraw/zinc/31/89/51/558318951.db2.gz XUDIKEJMTAXSHT-OAQYLSRUSA-N 0 1 402.498 3.926 50 0 HHAAMN COc1ccc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)c(OC)c1OC ZINC000012112032 558326382 /nfs/dbraw/zinc/32/63/82/558326382.db2.gz RTVCQUTZMWCGFS-UXSWERMXSA-N 0 1 408.498 3.655 50 0 HHAAMN CCCN1CCN(C(=O)Cn2c(C)c(C(=O)OCC)c(C)c2-c2ccccc2)CC1 ZINC000020356093 558357173 /nfs/dbraw/zinc/35/71/73/558357173.db2.gz HMLHBJKITOEJMX-UHFFFAOYSA-N 0 1 411.546 3.503 50 0 HHAAMN COc1cc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000012373205 558390648 /nfs/dbraw/zinc/39/06/48/558390648.db2.gz LXXJMZCPDFQMNN-CQSZACIVSA-N 0 1 406.885 3.835 50 0 HHAAMN Cc1nn(C)cc1CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012387398 558396160 /nfs/dbraw/zinc/39/61/60/558396160.db2.gz PABIAUACTIVGRQ-UHFFFAOYSA-N 0 1 420.561 3.724 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Cl)cc1 ZINC000020723538 558403984 /nfs/dbraw/zinc/40/39/84/558403984.db2.gz DJEYENVQKYATDV-CQSZACIVSA-N 0 1 402.241 3.774 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc(Cl)c1Cl ZINC000020738404 558408296 /nfs/dbraw/zinc/40/82/96/558408296.db2.gz NUZINJIHXQGWDQ-CYBMUJFWSA-N 0 1 402.241 3.774 50 0 HHAAMN COc1ccc(-c2nc(CN3CCC[C@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 ZINC000012588182 558434932 /nfs/dbraw/zinc/43/49/32/558434932.db2.gz HGZSBEBWQAVVOI-KRWDZBQOSA-N 0 1 413.518 3.502 50 0 HHAAMN CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(C(=O)OC)cc3)sc2c1 ZINC000004359211 558449892 /nfs/dbraw/zinc/44/98/92/558449892.db2.gz LSJOBVQUCQDJJI-UHFFFAOYSA-N 0 1 411.527 3.854 50 0 HHAAMN CN(C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(cccc2Cl)s1 ZINC000004359322 558451029 /nfs/dbraw/zinc/45/10/29/558451029.db2.gz ACCWCRUOHGJUFV-UHFFFAOYSA-N 0 1 417.918 3.929 50 0 HHAAMN Cc1cc2sc(N(CCN(C)C)C(=O)[C@@H]3COc4ccccc4O3)nc2c(C)c1 ZINC000004359394 558451587 /nfs/dbraw/zinc/45/15/87/558451587.db2.gz QKLLJECTIYCPLW-SFHVURJKSA-N 0 1 411.527 3.648 50 0 HHAAMN Cc1c([C@H](C)NCc2ccc(N3CCNC3=O)cc2)cnn1-c1ccc(F)cc1F ZINC000012710364 558451930 /nfs/dbraw/zinc/45/19/30/558451930.db2.gz XMYNVEZUZWBZJH-AWEZNQCLSA-N 0 1 411.456 3.839 50 0 HHAAMN COCc1cc(CN2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000012717760 558455733 /nfs/dbraw/zinc/45/57/33/558455733.db2.gz ASKWYPXFBXZFND-IBGZPJMESA-N 0 1 413.514 3.954 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)cc1C ZINC000022852439 558517141 /nfs/dbraw/zinc/51/71/41/558517141.db2.gz LRRUWWLUROCTBF-NRFANRHFSA-N 0 1 400.588 3.794 50 0 HHAAMN C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2)CCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000022931783 558524419 /nfs/dbraw/zinc/52/44/19/558524419.db2.gz SOSJSQXPSSZICL-IPHXSNPTSA-N 0 1 409.357 3.767 50 0 HHAAMN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000023394179 558556430 /nfs/dbraw/zinc/55/64/30/558556430.db2.gz BOYOLXPIYKUODD-UHFFFAOYSA-N 0 1 402.394 3.981 50 0 HHAAMN Cc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)s1 ZINC000024926749 558621033 /nfs/dbraw/zinc/62/10/33/558621033.db2.gz LLPZBFQMAPUJFL-UHFFFAOYSA-N 0 1 405.476 3.952 50 0 HHAAMN COCCNC(=O)C1CCN([C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000025047114 558628289 /nfs/dbraw/zinc/62/82/89/558628289.db2.gz FSWTYUUOSAHRHK-QHCPKHFHSA-N 0 1 419.525 3.567 50 0 HHAAMN CSc1ncc(C(=O)NC[C@@H](c2ccsc2)N(C)C)n1-c1ccc(F)cc1 ZINC000025332076 558638702 /nfs/dbraw/zinc/63/87/02/558638702.db2.gz BZKVJSZQOYUECR-INIZCTEOSA-N 0 1 404.536 3.828 50 0 HHAAMN O=c1[nH]c2ccc([S@@](=O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1 ZINC000027299440 558671841 /nfs/dbraw/zinc/67/18/41/558671841.db2.gz FCBQJNCAKZSIAH-MUUNZHRXSA-N 0 1 402.491 3.735 50 0 in-man HHAAMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000027577949 558675496 /nfs/dbraw/zinc/67/54/96/558675496.db2.gz RKHFLRYXEAHSPN-SFHVURJKSA-N 0 1 415.965 3.844 50 0 HHAAMN CN(Cc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014964122 558685162 /nfs/dbraw/zinc/68/51/62/558685162.db2.gz LFEYNHGUMDTGQU-QHCPKHFHSA-N 0 1 401.510 3.814 50 0 HHAAMN CCCOc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 ZINC000028287965 558694871 /nfs/dbraw/zinc/69/48/71/558694871.db2.gz PJBYHSNEMNHXND-QFIPXVFZSA-N 0 1 415.965 3.847 50 0 HHAAMN CC(=O)N1CCN(c2ncccc2CNCc2ccc(-c3ccccc3)cc2)CC1 ZINC000015066028 558708881 /nfs/dbraw/zinc/70/88/81/558708881.db2.gz WOVDJJPYKXVHMN-UHFFFAOYSA-N 0 1 400.526 3.707 50 0 HHAAMN Cc1ccc(-c2noc(CCCN3CCN(c4ncnc5ccccc54)CC3)n2)cc1 ZINC000029585845 558717318 /nfs/dbraw/zinc/71/73/18/558717318.db2.gz NEHXSLYGXJHFFP-UHFFFAOYSA-N 0 1 414.513 3.743 50 0 HHAAMN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2cn[nH]c2C)cc1 ZINC000072302809 558755672 /nfs/dbraw/zinc/75/56/72/558755672.db2.gz ZJTIMSKXHZGSDJ-UHFFFAOYSA-N 0 1 415.540 3.593 50 0 HHAAMN Cc1n[nH]c(CCCNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n1 ZINC000072311592 558787988 /nfs/dbraw/zinc/78/79/88/558787988.db2.gz FEKPSEGBFLESOQ-UHFFFAOYSA-N 0 1 420.904 3.982 50 0 HHAAMN CC(C)OC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146227 558798138 /nfs/dbraw/zinc/79/81/38/558798138.db2.gz KWSJNFCNEDZEJS-UXHICEINSA-N 0 1 400.494 3.607 50 0 HHAAMN CCCc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017082554 558814727 /nfs/dbraw/zinc/81/47/27/558814727.db2.gz YROGWDDLISWFKY-UHFFFAOYSA-N 0 1 402.604 3.914 50 0 HHAAMN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000017082663 558814844 /nfs/dbraw/zinc/81/48/44/558814844.db2.gz LUVDUAIPXHXOEI-UHFFFAOYSA-N 0 1 403.482 3.961 50 0 HHAAMN COc1ccc(-c2nc(CN3CCC(CN4CCCC4=O)CC3)c(C)o2)c(OC)c1 ZINC000039393498 558820882 /nfs/dbraw/zinc/82/08/82/558820882.db2.gz MAAKYWAKNNRWQE-UHFFFAOYSA-N 0 1 413.518 3.502 50 0 HHAAMN CCc1ccc(N2NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1 ZINC000000980619 558835758 /nfs/dbraw/zinc/83/57/58/558835758.db2.gz OYJLZPUKDQWXDT-XMHGGMMESA-N 0 1 418.474 3.991 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)c1 ZINC000033086423 558870991 /nfs/dbraw/zinc/87/09/91/558870991.db2.gz GEJAYDCLJCDQIB-UHFFFAOYSA-N 0 1 417.487 3.952 50 0 HHAAMN CCCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)CC1 ZINC000058137647 558901077 /nfs/dbraw/zinc/90/10/77/558901077.db2.gz KCWUJCHVFMITMQ-UHFFFAOYSA-N 0 1 422.504 3.855 50 0 HHAAMN O=C([O-])[C@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000072194178 558931054 /nfs/dbraw/zinc/93/10/54/558931054.db2.gz VWTJKXUNEWVTKH-ZWKOTPCHSA-N 0 1 420.509 3.806 50 0 HHAAMN Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000097940935 558945869 /nfs/dbraw/zinc/94/58/69/558945869.db2.gz NSXCRVFUKXXMKE-UHFFFAOYSA-N 0 1 416.503 3.604 50 0 HHAAMN O[C@H](COc1ccc2oc3c(c2c1)CCCC3)CN1CCN(c2ccccc2)CC1 ZINC000019606699 558946586 /nfs/dbraw/zinc/94/65/86/558946586.db2.gz WNGKKNSUHAHMOK-FQEVSTJZSA-N 0 1 406.526 3.874 50 0 HHAAMN CSc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1 ZINC000065362537 558973459 /nfs/dbraw/zinc/97/34/59/558973459.db2.gz BKVATRAPGOWCBW-UHFFFAOYSA-N 0 1 421.530 3.691 50 0 HHAAMN CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000067622873 558990049 /nfs/dbraw/zinc/99/00/49/558990049.db2.gz GLVOEEGBQATFIQ-UHFFFAOYSA-N 0 1 414.506 3.808 50 0 HHAAMN COCc1cc(C)nc([N-][NH+]=Cc2ccc(N(C)C)c(Br)c2)c1C#N ZINC000004750653 559048959 /nfs/dbraw/zinc/04/89/59/559048959.db2.gz CDPSDYVBEGPWRF-UHFFFAOYSA-N 0 1 402.296 3.683 50 0 HHAAMN CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000011422676 559075697 /nfs/dbraw/zinc/07/56/97/559075697.db2.gz LQMKEDJXTMOSCY-UHFFFAOYSA-N 0 1 415.559 3.526 50 0 HHAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095630003 559087778 /nfs/dbraw/zinc/08/77/78/559087778.db2.gz VGAJYRKEVKPHAO-VSKRKVRLSA-N 0 1 400.434 3.746 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C\c3ccccc3F)n2)cc1 ZINC000033424010 559190699 /nfs/dbraw/zinc/19/06/99/559190699.db2.gz DFHLVTUJDQUUTG-SREVYHEPSA-N 0 1 412.446 3.545 50 0 HHAAMN COCCNC(=O)CSc1nc(-c2cccc(OC)c2)[nH]c1-c1ccc(C)cc1 ZINC000004927783 559208226 /nfs/dbraw/zinc/20/82/26/559208226.db2.gz OGZYAQJTVHAYMA-UHFFFAOYSA-N 0 1 411.527 3.915 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3ncnc4ccccc43)cc2)n1 ZINC000011990856 559269945 /nfs/dbraw/zinc/26/99/45/559269945.db2.gz NHYIZCSYQMTWFU-UHFFFAOYSA-N 0 1 406.471 3.581 50 0 HHAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 ZINC000005340487 560567284 /nfs/dbraw/zinc/56/72/84/560567284.db2.gz LRADSPOGRVMFGW-OAQYLSRUSA-N 0 1 411.889 3.844 50 0 HHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2)cc1 ZINC000005505259 560598751 /nfs/dbraw/zinc/59/87/51/560598751.db2.gz NOUKMACKYPZQTQ-IBGZPJMESA-N 0 1 408.527 3.726 50 0 HHAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000101039780 560767064 /nfs/dbraw/zinc/76/70/64/560767064.db2.gz DVRPZJPCGJGFTH-BDTNDASRSA-N 0 1 418.424 3.885 50 0 HHAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000018156169 560780252 /nfs/dbraw/zinc/78/02/52/560780252.db2.gz XIRGTAFIESYEAK-BDTNDASRSA-N 0 1 418.424 3.885 50 0 HHAAMN CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)NC(=O)N(C2CCCCCC2)C1=O ZINC000104815293 560855109 /nfs/dbraw/zinc/85/51/09/560855109.db2.gz BCNADYINQWWMAK-XUTLUUPISA-N 0 1 422.529 3.765 50 0 HHAAMN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@@H](c2cccs2)N(C)C)C[C@H](C)O1 ZINC000047807494 568431288 /nfs/dbraw/zinc/43/12/88/568431288.db2.gz UNEQDSMLZYIGND-FCEWJHQRSA-N 0 1 402.564 3.786 50 0 HHAAMN C[C@H](NCC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000049592412 568452419 /nfs/dbraw/zinc/45/24/19/568452419.db2.gz XKESDFHYQUTMKU-AWEZNQCLSA-N 0 1 406.935 3.670 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2c(C)noc2C)c1 ZINC000005883370 568454252 /nfs/dbraw/zinc/45/42/52/568454252.db2.gz OLJREQFAAHUBIM-UHFFFAOYSA-N 0 1 415.471 3.662 50 0 HHAAMN CCOC(=O)C1C(COc2ccccc2Cl)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000007987944 568487899 /nfs/dbraw/zinc/48/78/99/568487899.db2.gz XQULFNKZCSPSPA-LJQANCHMSA-N 0 1 416.861 3.599 50 0 HHAAMN COc1cc(CNC(=O)CSc2nc3ccc(C)cc3[nH]2)ccc1OC(F)F ZINC000008065657 568489986 /nfs/dbraw/zinc/48/99/86/568489986.db2.gz UOOYBCXFHBWQGK-UHFFFAOYSA-N 0 1 407.442 3.890 50 0 HHAAMN COc1ccc(-c2nc(COC(=O)[C@@H]3CCCN3C3CCOCC3)cs2)cc1 ZINC000095454617 568616217 /nfs/dbraw/zinc/61/62/17/568616217.db2.gz RZPRBIXCFOWCIK-IBGZPJMESA-N 0 1 402.516 3.505 50 0 HHAAMN CN1CCN([C@H]2CCCCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000095455678 568616964 /nfs/dbraw/zinc/61/69/64/568616964.db2.gz JHMZUEPWXQNQLN-QFIPXVFZSA-N 0 1 419.635 3.525 50 0 HHAAMN CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c(C)cc21 ZINC000020509725 568620641 /nfs/dbraw/zinc/62/06/41/568620641.db2.gz FKWXIHQRLOSUFI-UHFFFAOYSA-N 0 1 414.405 3.560 50 0 HHAAMN CCc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000020532769 568628562 /nfs/dbraw/zinc/62/85/62/568628562.db2.gz GEJVIKYEDCDOML-UHFFFAOYSA-N 0 1 411.483 3.706 50 0 HHAAMN COc1ccc(CCc2nc(NC(=O)c3cc(C(C)C)nc4onc(C)c43)n[nH]2)cc1 ZINC000095479399 568632617 /nfs/dbraw/zinc/63/26/17/568632617.db2.gz IVSGSNWOQJCTRZ-UHFFFAOYSA-N 0 1 420.473 3.819 50 0 HHAAMN COc1ccc(CCc2n[nH]c(NC(=O)c3cc(C(C)C)nc4onc(C)c43)n2)cc1 ZINC000095479399 568632619 /nfs/dbraw/zinc/63/26/19/568632619.db2.gz IVSGSNWOQJCTRZ-UHFFFAOYSA-N 0 1 420.473 3.819 50 0 HHAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000020678053 568640051 /nfs/dbraw/zinc/64/00/51/568640051.db2.gz IAKHTTUHYNMRKV-UHFFFAOYSA-N 0 1 411.575 3.898 50 0 HHAAMN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCN1CCCCC1 ZINC000021153356 568672738 /nfs/dbraw/zinc/67/27/38/568672738.db2.gz YIJABWFZNQVCQL-UHFFFAOYSA-N 0 1 404.536 3.678 50 0 HHAAMN CCc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c1 ZINC000021155859 568673565 /nfs/dbraw/zinc/67/35/65/568673565.db2.gz UJEZMRLDFISFPQ-UHFFFAOYSA-N 0 1 417.575 3.877 50 0 HHAAMN CCN(CC)c1ccc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)cc1 ZINC000225799275 568675783 /nfs/dbraw/zinc/67/57/83/568675783.db2.gz SZJVGKCCKYWXCK-NRFANRHFSA-N 0 1 411.550 3.502 50 0 HHAAMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000241701734 568731872 /nfs/dbraw/zinc/73/18/72/568731872.db2.gz QKUQTNKAZVPGTJ-CJNGLKHVSA-N 0 1 412.342 3.693 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)c1 ZINC000096324766 568734217 /nfs/dbraw/zinc/73/42/17/568734217.db2.gz RASWEOAOLUQXLD-GOSISDBHSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(Br)cc2)o1 ZINC000096379549 568741182 /nfs/dbraw/zinc/74/11/82/568741182.db2.gz KFFRKKWEGWMPIQ-UHFFFAOYSA-N 0 1 411.281 3.553 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)cc1F ZINC000096379670 568741418 /nfs/dbraw/zinc/74/14/18/568741418.db2.gz RTEOQOCEJDZHQE-UHFFFAOYSA-N 0 1 406.439 3.507 50 0 HHAAMN O=C(NC[C@@H]1CCCO1)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000096490441 568754930 /nfs/dbraw/zinc/75/49/30/568754930.db2.gz WZTBMNHDPPAFKO-QFIPXVFZSA-N 0 1 413.949 3.571 50 0 HHAAMN Cc1nc2sc([C@H](c3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022458776 568768062 /nfs/dbraw/zinc/76/80/62/568768062.db2.gz VJYUKFONJUTOSH-FQEVSTJZSA-N 0 1 419.554 3.712 50 0 HHAAMN Cc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022582556 568770757 /nfs/dbraw/zinc/77/07/57/568770757.db2.gz WVTFHPUYSZVFIV-VWLOTQADSA-N 0 1 417.553 3.632 50 0 HHAAMN O=S(=O)(c1ccc(Cl)s1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225689961 568779081 /nfs/dbraw/zinc/77/90/81/568779081.db2.gz WADJKGFWKSIABB-UHFFFAOYSA-N 0 1 402.994 3.674 50 0 HHAAMN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225690085 568779094 /nfs/dbraw/zinc/77/90/94/568779094.db2.gz LEIJJZSCBSUWDF-UHFFFAOYSA-N 0 1 416.612 3.838 50 0 HHAAMN O=C(CCCn1c(=O)c2ccccc2[nH]c1=S)NCCSCc1ccccc1 ZINC000002971800 568831965 /nfs/dbraw/zinc/83/19/65/568831965.db2.gz GTAXXQNOGWRKIL-UHFFFAOYSA-N 0 1 413.568 3.889 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2Cl)cc1 ZINC000006023963 568835573 /nfs/dbraw/zinc/83/55/73/568835573.db2.gz QZTPSAIJJIQQQL-UHFFFAOYSA-N 0 1 406.847 3.995 50 0 HHAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)n[nH]2)c(OC)c1 ZINC000057477147 568839528 /nfs/dbraw/zinc/83/95/28/568839528.db2.gz YUTMJGHPVJDURZ-UHFFFAOYSA-N 0 1 420.513 3.673 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012535179 568844954 /nfs/dbraw/zinc/84/49/54/568844954.db2.gz BNZUXHXYTLIVSG-UHFFFAOYSA-N 0 1 417.465 3.583 50 0 HHAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)ccc1O ZINC000012563205 568859244 /nfs/dbraw/zinc/85/92/44/568859244.db2.gz HRDDOGVEDWLSCG-UHFFFAOYSA-N 0 1 408.483 3.784 50 0 HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000003245528 568867053 /nfs/dbraw/zinc/86/70/53/568867053.db2.gz WDWQHHYTNXKOGO-UHFFFAOYSA-N 0 1 422.388 3.549 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)CSc2nc(C)cc(C)n2)N2CCCCC2)cc1 ZINC000012598775 568869340 /nfs/dbraw/zinc/86/93/40/568869340.db2.gz AIXIHMVUTGGBFZ-HXUWFJFHSA-N 0 1 414.575 3.538 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000057992183 568873111 /nfs/dbraw/zinc/87/31/11/568873111.db2.gz XELZJZRNKWSHBN-DDVAMESESA-N 0 1 411.889 3.619 50 0 HHAAMN C[C@@H]1CCCCN1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012783413 568958840 /nfs/dbraw/zinc/95/88/40/568958840.db2.gz NGUQYLOOISEJCU-GFCCVEGCSA-N 0 1 405.848 3.630 50 0 HHAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2OC)cc1 ZINC000008033633 568969505 /nfs/dbraw/zinc/96/95/05/568969505.db2.gz KKMHHHAXEDECHR-UHFFFAOYSA-N 0 1 404.488 3.633 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000015730782 568981408 /nfs/dbraw/zinc/98/14/08/568981408.db2.gz ZMRCTEGKBXHMDT-JTQLQIEISA-N 0 1 412.920 3.830 50 0 HHAAMN CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000008324387 568990923 /nfs/dbraw/zinc/99/09/23/568990923.db2.gz BALMACCCRLKTAN-JOCHJYFZSA-N 0 1 420.509 3.915 50 0 HHAAMN CC(=O)Nc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)ccc1O ZINC000008324720 568991223 /nfs/dbraw/zinc/99/12/23/568991223.db2.gz HYDDTZSMFXJANF-UHFFFAOYSA-N 0 1 408.483 3.784 50 0 HHAAMN COc1cc(Cl)cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1OC ZINC000104385455 569008509 /nfs/dbraw/zinc/00/85/09/569008509.db2.gz GLMPSZZIRBGOBQ-OAQYLSRUSA-N 0 1 418.965 3.734 50 0 HHAAMN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(O)c2ncccc12 ZINC000012844785 569010146 /nfs/dbraw/zinc/01/01/46/569010146.db2.gz RSJAIWSUMNMYDB-UHFFFAOYSA-N 0 1 405.376 3.910 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000015825121 569011369 /nfs/dbraw/zinc/01/13/69/569011369.db2.gz ZGPOABDUBXTCMZ-UHFFFAOYSA-N 0 1 414.941 3.783 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000006178267 569017597 /nfs/dbraw/zinc/01/75/97/569017597.db2.gz HYKSLKAEVFELMV-UHFFFAOYSA-N 0 1 421.526 3.875 50 0 HHAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccccc1)=N2 ZINC000035372770 569033809 /nfs/dbraw/zinc/03/38/09/569033809.db2.gz YSQZXUIDYDGLIO-UHFFFAOYSA-N 0 1 410.518 3.821 50 0 HHAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000575619996 569038765 /nfs/dbraw/zinc/03/87/65/569038765.db2.gz HIQANHVXSLEHRH-INIZCTEOSA-N 0 1 419.403 3.809 50 0 HHAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(F)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000239038588 569053960 /nfs/dbraw/zinc/05/39/60/569053960.db2.gz DMTLHMBJHHIBLA-FKBYEOEOSA-N 0 1 418.424 3.885 50 0 HHAAMN CCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000016567375 569059201 /nfs/dbraw/zinc/05/92/01/569059201.db2.gz WIJNMPBZOOWPPY-ODLFYWEKSA-N 0 1 424.407 3.511 50 0 HHAAMN C[C@@H](C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)N1CCCCCC1 ZINC000089448649 569060598 /nfs/dbraw/zinc/06/05/98/569060598.db2.gz PIEZLAUTRCTMJL-ZWKOTPCHSA-N 0 1 404.555 3.851 50 0 HHAAMN CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690060 569070615 /nfs/dbraw/zinc/07/06/15/569070615.db2.gz GSVMYPGTTWPJRD-ACJLOTCBSA-N 0 1 416.547 3.897 50 0 HHAAMN O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102569 569092062 /nfs/dbraw/zinc/09/20/62/569092062.db2.gz DXMYDAUEDJCUMW-FQEVSTJZSA-N 0 1 413.445 3.727 50 0 HHAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145907 569098360 /nfs/dbraw/zinc/09/83/60/569098360.db2.gz SUEWZKUMSAHMSS-GOTSBHOMSA-N 0 1 414.521 3.854 50 0 HHAAMN COC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146561 569098754 /nfs/dbraw/zinc/09/87/54/569098754.db2.gz SWEBFGJOZJHYJF-PMACEKPBSA-N 0 1 423.340 3.996 50 0 HHAAMN O=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000064818104 569101282 /nfs/dbraw/zinc/10/12/82/569101282.db2.gz HYVASJVXVUYFPK-UHFFFAOYSA-N 0 1 413.924 3.960 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000006729927 569102788 /nfs/dbraw/zinc/10/27/88/569102788.db2.gz QHOSXGKEASMDSC-CQSZACIVSA-N 0 1 418.515 3.582 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(C)cc2C)CC1 ZINC000036345725 569143324 /nfs/dbraw/zinc/14/33/24/569143324.db2.gz LDVVTHQCPDEEKU-DEOSSOPVSA-N 0 1 422.548 3.758 50 0 HHAAMN CCCCN1CCN(C(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000065153750 569187613 /nfs/dbraw/zinc/18/76/13/569187613.db2.gz NNDLEVVXJLKOHR-UHFFFAOYSA-N 0 1 401.514 3.764 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3cccc(OC)c3)c(C)n2CC)o1 ZINC000065186585 569192172 /nfs/dbraw/zinc/19/21/72/569192172.db2.gz CBXPDBBZDJXHBI-UHFFFAOYSA-N 0 1 404.492 3.547 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)n2CC)o1 ZINC000065186604 569192202 /nfs/dbraw/zinc/19/22/02/569192202.db2.gz GNRIRWAHCPOOMS-UHFFFAOYSA-N 0 1 406.483 3.986 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(F)c(F)c3)c(C)n2CC)o1 ZINC000065186607 569192218 /nfs/dbraw/zinc/19/22/18/569192218.db2.gz FNEYMCYCKUSUKA-UHFFFAOYSA-N 0 1 410.446 3.816 50 0 HHAAMN Cc1nc(COc2cccc(C(=O)NC3CCN(Cc4cccnc4)CC3)c2)cs1 ZINC000170627105 569250321 /nfs/dbraw/zinc/25/03/21/569250321.db2.gz BMUVNATXZLBFRS-UHFFFAOYSA-N 0 1 422.554 3.820 50 0 HHAAMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(Cl)c1 ZINC000089616682 569261267 /nfs/dbraw/zinc/26/12/67/569261267.db2.gz MPOOPYMXUFVCDF-MRXNPFEDSA-N 0 1 402.907 3.959 50 0 HHAAMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000089616682 569261269 /nfs/dbraw/zinc/26/12/69/569261269.db2.gz MPOOPYMXUFVCDF-MRXNPFEDSA-N 0 1 402.907 3.959 50 0 HHAAMN O=C(COc1ccc(Br)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000089787637 569264379 /nfs/dbraw/zinc/26/43/79/569264379.db2.gz VGQUCIDAVRLYQN-UHFFFAOYSA-N 0 1 421.310 3.748 50 0 HHAAMN COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccncc3)N3CCCCC3)c2=O)cc1 ZINC000016993497 569270857 /nfs/dbraw/zinc/27/08/57/569270857.db2.gz LHRMIDXGIPJPJZ-XMMPIXPASA-N 0 1 419.525 3.890 50 0 HHAAMN [NH3+][C@H](CCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000170677474 569298100 /nfs/dbraw/zinc/29/81/00/569298100.db2.gz VOUDSWOCIYOBSB-OAQYLSRUSA-N 0 1 423.538 3.584 50 0 HHAAMN C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000253419145 569367704 /nfs/dbraw/zinc/36/77/04/569367704.db2.gz JZFSZIXWHHXPHF-ACJLOTCBSA-N 0 1 403.408 3.920 50 0 HHAAMN Cc1cc(NC(=O)c2ccc(-c3cccs3)nc2C)n(-c2ncnc3[nH]cnc32)n1 ZINC000253425380 569368182 /nfs/dbraw/zinc/36/81/82/569368182.db2.gz CUYLWQOZRXZSPK-UHFFFAOYSA-N 0 1 416.470 3.531 50 0 HHAAMN CCOC(=O)C1=C(CNCc2cccc(C)c2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055227026 569395050 /nfs/dbraw/zinc/39/50/50/569395050.db2.gz XCMFMDPBKODMLU-QFIPXVFZSA-N 0 1 407.514 3.573 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cc(=O)n3cc(C)ccc3n2)n1 ZINC000008509677 571063190 /nfs/dbraw/zinc/06/31/90/571063190.db2.gz GBGXEOAAGLMACR-UHFFFAOYSA-N 0 1 413.890 3.742 50 0 HHAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[n-]c(=O)c2C1 ZINC000067291889 571068054 /nfs/dbraw/zinc/06/80/54/571068054.db2.gz QMAZIHRLFOVGCY-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[n-]c(=O)c2C1 ZINC000067291889 571068057 /nfs/dbraw/zinc/06/80/57/571068057.db2.gz QMAZIHRLFOVGCY-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN COc1cccc(CNC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1OC ZINC000008619575 571096541 /nfs/dbraw/zinc/09/65/41/571096541.db2.gz IYGQWJULUAPNTI-UHFFFAOYSA-N 0 1 418.906 3.551 50 0 HHAAMN O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008893858 571143047 /nfs/dbraw/zinc/14/30/47/571143047.db2.gz FFCONMVJTHCFBS-LJQANCHMSA-N 0 1 419.978 3.751 50 0 HHAAMN O=C(NC[C@@H]1COc2ccccc2O1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000040071263 571151977 /nfs/dbraw/zinc/15/19/77/571151977.db2.gz FKCSBPQDCPOYHM-WZONZLPQSA-N 0 1 414.465 3.792 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(OC(F)F)cc1 ZINC000040103810 571164410 /nfs/dbraw/zinc/16/44/10/571164410.db2.gz KAZNSXSTIXVOBW-UHFFFAOYSA-N 0 1 404.461 3.670 50 0 HHAAMN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2C1 ZINC000008977190 571198135 /nfs/dbraw/zinc/19/81/35/571198135.db2.gz APRUBSXQQRNINS-UHFFFAOYSA-N 0 1 418.421 3.557 50 0 HHAAMN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)on1 ZINC000009688785 571280254 /nfs/dbraw/zinc/28/02/54/571280254.db2.gz HUVIWEJZORWVEV-UHFFFAOYSA-N 0 1 414.411 3.659 50 0 HHAAMN Nc1c(Cl)cc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1Cl ZINC000010431316 571302555 /nfs/dbraw/zinc/30/25/55/571302555.db2.gz KAKNOGACMMMNEX-UHFFFAOYSA-N 0 1 405.241 3.989 50 0 HHAAMN Cc1cc(O)c(C2=NCCS[C@@H](c3cc(Br)ccc3O)C2)c(=O)o1 ZINC000005441543 960724882 /nfs/dbraw/zinc/72/48/82/960724882.db2.gz WREQRAUXIXVJPV-OAHLLOKOSA-N 0 1 410.289 3.789 50 0 HHAAMN CCOCCCNCc1c(C(=O)OCC)cnn1-c1ccnc2cc(Cl)ccc21 ZINC000012036886 962224754 /nfs/dbraw/zinc/22/47/54/962224754.db2.gz ZLYQWWQOVPXWKB-UHFFFAOYSA-N 0 1 416.909 3.767 50 0 HHAAMN C/C=C(\C)CN1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1 ZINC000012191131 962251120 /nfs/dbraw/zinc/25/11/20/962251120.db2.gz RJKDTSKGNWOJSD-UDCCBSLUSA-N 0 1 410.543 3.589 50 0 HHAAMN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@H]2CCCCN2C)C3)c1 ZINC000039353430 966492297 /nfs/dbraw/zinc/49/22/97/966492297.db2.gz LWHZBPGVISUMPF-AUSIDOKSSA-N 0 1 424.516 3.908 50 0 HHAAMN CN(Cc1ccc(Sc2nncn2C)o1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000096794705 969052147 /nfs/dbraw/zinc/05/21/47/969052147.db2.gz NRQOPZXNHZMNBV-KRWDZBQOSA-N 0 1 415.538 3.795 50 0 HHAAMN CNC(=O)c1ccc(/C=C\C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000098004779 969185476 /nfs/dbraw/zinc/18/54/76/969185476.db2.gz KDOQLXWKEQXRMJ-DGDFFNOKSA-N 0 1 411.933 3.666 50 0 HHAAMN CC(C)CN(Cc1cccnc1)C1CN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000257195536 970626000 /nfs/dbraw/zinc/62/60/00/970626000.db2.gz WHKCVLGHYLDQCB-UHFFFAOYSA-N 0 1 408.571 3.993 50 0 HHAAMN CC(C)C[N@H+]1CCCn2ccnc2[C@@H]1C1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000409419663 972890377 /nfs/dbraw/zinc/89/03/77/972890377.db2.gz WZXFOYQSZIIUCM-NRFANRHFSA-N 0 1 424.545 3.537 50 0 HHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000004749086 132287380 /nfs/dbraw/zinc/28/73/80/132287380.db2.gz NMKIUMCTJTZOGE-UHFFFAOYSA-N 0 1 401.894 3.521 50 0 HHAAMN CC1CCN(c2ccc(-c3cccc(NS(=O)(=O)c4cccnc4)c3)nn2)CC1 ZINC000005144754 132303151 /nfs/dbraw/zinc/30/31/51/132303151.db2.gz ZCLMFNLIUFUEPF-UHFFFAOYSA-N 0 1 409.515 3.576 50 0 HHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(C(C)=O)c2)CC1 ZINC000006646370 132312330 /nfs/dbraw/zinc/31/23/30/132312330.db2.gz WDKMOHIKYFLEOT-UHFFFAOYSA-N 0 1 415.921 3.702 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2 ZINC000006779542 132315638 /nfs/dbraw/zinc/31/56/38/132315638.db2.gz NWQBOKYTPFYROP-ZDUSSCGKSA-N 0 1 406.529 3.733 50 0 HHAAMN CSc1ncc(C(=O)Nc2ccccc2N2CCN(C)CC2)n1-c1ccccc1 ZINC000007989234 132326680 /nfs/dbraw/zinc/32/66/80/132326680.db2.gz DQWYEFKQWJHASN-UHFFFAOYSA-N 0 1 407.543 3.598 50 0 HHAAMN COc1cccc(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1 ZINC000008583788 132330456 /nfs/dbraw/zinc/33/04/56/132330456.db2.gz KBUHGPXQGHAVFF-UHFFFAOYSA-N 0 1 405.502 3.948 50 0 HHAAMN CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 ZINC000008768727 132333299 /nfs/dbraw/zinc/33/32/99/132333299.db2.gz AWGKGCFANAYBNC-UHFFFAOYSA-N 0 1 423.332 3.939 50 0 HHAAMN Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697990 132349948 /nfs/dbraw/zinc/34/99/48/132349948.db2.gz DDWJYSJQZDMIIN-UHFFFAOYSA-N 0 1 423.908 3.931 50 0 HHAAMN O=C(c1ccoc1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 ZINC000012151714 132355206 /nfs/dbraw/zinc/35/52/06/132355206.db2.gz QDWXVSJSHWJQON-UHFFFAOYSA-N 0 1 417.509 3.637 50 0 HHAAMN CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000032947207 519913790 /nfs/dbraw/zinc/91/37/90/519913790.db2.gz JELNXGXLHUPBQD-UHFFFAOYSA-N 0 1 413.493 3.975 50 0 HHAAMN CCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)cc1F ZINC000043954330 521199022 /nfs/dbraw/zinc/19/90/22/521199022.db2.gz NAOFKECXUSKCMM-UHFFFAOYSA-N 0 1 424.538 3.625 50 0 HHAAMN COc1cccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)N(C)C)c1 ZINC000041799851 524161545 /nfs/dbraw/zinc/16/15/45/524161545.db2.gz HQVPSBKVHWEVHM-INIZCTEOSA-N 0 1 413.499 3.635 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000032902425 524731993 /nfs/dbraw/zinc/73/19/93/524731993.db2.gz SQSGALJBOWSLFV-YAOQVBECSA-N 0 1 416.525 3.847 50 0 HHAAMN Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000043151171 526256522 /nfs/dbraw/zinc/25/65/22/526256522.db2.gz YUOIRBBLTKYSQJ-HSZRJFAPSA-N 0 1 404.558 3.762 50 0 HHAAMN O=S(=O)(NC1CCN(CCCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000032879623 527210080 /nfs/dbraw/zinc/21/00/80/527210080.db2.gz KCWDBURBVJGFQY-UHFFFAOYSA-N 0 1 408.951 3.552 50 0 HHAAMN COc1ccc2cc(CNCc3ccc(F)cc3)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000012078953 537035023 /nfs/dbraw/zinc/03/50/23/537035023.db2.gz FNOMRGISVIHHTH-SFHVURJKSA-N 0 1 409.505 3.881 50 0 HHAAMN Cc1c2ccc(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000001057200 557161870 /nfs/dbraw/zinc/16/18/70/557161870.db2.gz LRYAVBQVSBOBIG-UHFFFAOYSA-N 0 1 422.466 3.893 50 0 HHAAMN CCOC(=O)C1C(Cn2cnc3ccccc32)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001423134 557260812 /nfs/dbraw/zinc/26/08/12/557260812.db2.gz RZKLLIROISQQJH-IBGZPJMESA-N 0 1 410.861 3.561 50 0 HHAAMN O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002757077 557380407 /nfs/dbraw/zinc/38/04/07/557380407.db2.gz UPNCJAGKAHYGAH-FGZHOGPDSA-N 0 1 404.510 3.587 50 0 HHAAMN CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(C)C ZINC000034831286 557466681 /nfs/dbraw/zinc/46/66/81/557466681.db2.gz BDCYSZZQYAHXDF-UHFFFAOYSA-N 0 1 415.557 3.609 50 0 HHAAMN O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004179244 557525367 /nfs/dbraw/zinc/52/53/67/557525367.db2.gz XPQRTZDIRPPNBW-VXKWHMMOSA-N 0 1 406.526 3.811 50 0 HHAAMN CCCSc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)[nH]c2c1 ZINC000004755855 557593667 /nfs/dbraw/zinc/59/36/67/557593667.db2.gz PSRZHENSZSRXNW-UHFFFAOYSA-N 0 1 408.483 3.971 50 0 HHAAMN CCOc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(=O)OC(C)C ZINC000005573491 557662658 /nfs/dbraw/zinc/66/26/58/557662658.db2.gz GUEHCIIYVHOOKM-OAHLLOKOSA-N 0 1 413.337 3.592 50 0 HHAAMN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(Cl)c2)N(CCN(C)C)C1=O ZINC000006660978 557712682 /nfs/dbraw/zinc/71/26/82/557712682.db2.gz PBSKPFKKPIZKBS-IBGZPJMESA-N 0 1 412.873 3.562 50 0 HHAAMN COc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000011617189 558264772 /nfs/dbraw/zinc/26/47/72/558264772.db2.gz AJAPTWKTHVPRHV-FSSWDIPSSA-N 0 1 418.424 3.885 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1C ZINC000019790907 558282399 /nfs/dbraw/zinc/28/23/99/558282399.db2.gz IDSPXTPRHQLSJC-NRFANRHFSA-N 0 1 400.588 3.794 50 0 HHAAMN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN(C)C[C@@H](O)c1ccccc1 ZINC000019798900 558285096 /nfs/dbraw/zinc/28/50/96/558285096.db2.gz YWEUUPIJJXPPGJ-JOCHJYFZSA-N 0 1 420.557 3.824 50 0 HHAAMN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cn(CC)nc2C)C1 ZINC000011879386 558293837 /nfs/dbraw/zinc/29/38/37/558293837.db2.gz KFAFOGSDCSNULQ-JOCHJYFZSA-N 0 1 405.489 3.878 50 0 HHAAMN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC ZINC000011953854 558303367 /nfs/dbraw/zinc/30/33/67/558303367.db2.gz NOOBJGHOARGYBZ-JOCHJYFZSA-N 0 1 400.544 3.894 50 0 HHAAMN CCOc1ccccc1CN1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 ZINC000012002083 558308363 /nfs/dbraw/zinc/30/83/63/558308363.db2.gz ODSMDYWSXKVTIN-UHFFFAOYSA-N 0 1 412.530 3.505 50 0 HHAAMN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000012135325 558333818 /nfs/dbraw/zinc/33/38/18/558333818.db2.gz KUBJHSWSOUNDAJ-NRFANRHFSA-N 0 1 414.496 3.934 50 0 HHAAMN COc1cccc(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1 ZINC000012202314 558351781 /nfs/dbraw/zinc/35/17/81/558351781.db2.gz HLHVKPDXCAKIEB-UHFFFAOYSA-N 0 1 424.541 3.983 50 0 HHAAMN O[C@@H](CSc1ccc(F)cc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020421538 558361974 /nfs/dbraw/zinc/36/19/74/558361974.db2.gz WBSJSDUBUKAUOD-MRXNPFEDSA-N 0 1 415.456 3.515 50 0 HHAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 ZINC000012298795 558368730 /nfs/dbraw/zinc/36/87/30/558368730.db2.gz SNJWHKLQKOVAAM-GOSISDBHSA-N 0 1 415.534 3.748 50 0 HHAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@H](OCc3cccnc3)C2)c(OC)c1 ZINC000012302334 558372082 /nfs/dbraw/zinc/37/20/82/558372082.db2.gz MPUQEFAJZPPQHA-FQEVSTJZSA-N 0 1 408.502 3.670 50 0 HHAAMN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1CCCn1cccn1 ZINC000012309035 558377235 /nfs/dbraw/zinc/37/72/35/558377235.db2.gz KTTFAFBFVSWVCQ-QFIPXVFZSA-N 0 1 405.502 3.954 50 0 HHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000020719917 558402599 /nfs/dbraw/zinc/40/25/99/558402599.db2.gz MZGBYYXCWRZACX-HNNXBMFYSA-N 0 1 403.446 3.758 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1Cl ZINC000020722548 558403440 /nfs/dbraw/zinc/40/34/40/558403440.db2.gz FWFVBMSNAGONNK-AWEZNQCLSA-N 0 1 402.241 3.774 50 0 HHAAMN CCOc1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000020725773 558404668 /nfs/dbraw/zinc/40/46/68/558404668.db2.gz QFTVFIBGLOFGIN-MRXNPFEDSA-N 0 1 411.849 3.519 50 0 HHAAMN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCCC[C@@H]1CCO ZINC000012430453 558405188 /nfs/dbraw/zinc/40/51/88/558405188.db2.gz YHLDMBHCMCBNSK-JOCHJYFZSA-N 0 1 423.557 3.502 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F ZINC000020745654 558410508 /nfs/dbraw/zinc/41/05/08/558410508.db2.gz OYDRKECQIXKBFQ-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2F)cc1 ZINC000020745665 558410513 /nfs/dbraw/zinc/41/05/13/558410513.db2.gz AYSDKSBTHCEYKH-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN COc1ccc2nc(CCNC(=O)c3cc(COc4ccc(C)c(C)c4)on3)[nH]c2c1 ZINC000012446373 558414226 /nfs/dbraw/zinc/41/42/26/558414226.db2.gz KCCOLLNMJFHOSE-UHFFFAOYSA-N 0 1 420.469 3.728 50 0 HHAAMN Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4nccs4)N4CCC[C@@]34C2=O)o1 ZINC000012701957 558447991 /nfs/dbraw/zinc/44/79/91/558447991.db2.gz XSESKAFHAVBPCY-BPXKWBHBSA-N 0 1 408.527 3.773 50 0 HHAAMN CCc1ccc2nc(N(CCN(C)C)C(=O)[C@H]3COc4ccccc4O3)sc2c1 ZINC000004359214 558449951 /nfs/dbraw/zinc/44/99/51/558449951.db2.gz WZNLSWKBBIHKCO-LJQANCHMSA-N 0 1 411.527 3.593 50 0 HHAAMN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022916698 558521710 /nfs/dbraw/zinc/52/17/10/558521710.db2.gz HPCOUMLRYSZTCR-RUZDIDTESA-N 0 1 402.538 3.911 50 0 HHAAMN CC[C@@H](C)[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000013591576 558546152 /nfs/dbraw/zinc/54/61/52/558546152.db2.gz CJVYTXQTAVGNHZ-NQIIRXRSSA-N 0 1 409.530 3.603 50 0 HHAAMN O=C(Nc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1)c1ccc(Cl)cc1Cl ZINC000014114869 558621489 /nfs/dbraw/zinc/62/14/89/558621489.db2.gz CHRWFIKAJCNEFA-OAHLLOKOSA-N 0 1 413.326 3.522 50 0 HHAAMN CCc1ccccc1Nc1nc(N)nc(CSc2n[nH]c(CC3CCCC3)n2)n1 ZINC000014730541 558665072 /nfs/dbraw/zinc/66/50/72/558665072.db2.gz HZKOAWUJCFIBIN-UHFFFAOYSA-N 0 1 410.551 3.903 50 0 HHAAMN CCc1ccccc1Nc1nc(N)nc(CSc2nc(CC3CCCC3)n[nH]2)n1 ZINC000014730541 558665075 /nfs/dbraw/zinc/66/50/75/558665075.db2.gz HZKOAWUJCFIBIN-UHFFFAOYSA-N 0 1 410.551 3.903 50 0 HHAAMN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C/c1ccco1)CC2 ZINC000014733559 558666135 /nfs/dbraw/zinc/66/61/35/558666135.db2.gz XGUOMFRBTAAIOW-WEVVVXLNSA-N 0 1 419.525 3.579 50 0 HHAAMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000027577944 558675475 /nfs/dbraw/zinc/67/54/75/558675475.db2.gz RKHFLRYXEAHSPN-GOSISDBHSA-N 0 1 415.965 3.844 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2F)N2CCCCC2)cc1 ZINC000027794315 558682784 /nfs/dbraw/zinc/68/27/84/558682784.db2.gz KUGQEVHCUDJCHY-DYESRHJHSA-N 0 1 400.494 3.945 50 0 HHAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccccc1F ZINC000027991735 558688221 /nfs/dbraw/zinc/68/82/21/558688221.db2.gz UAWOHEOTBNYPPO-IBGZPJMESA-N 0 1 401.825 3.766 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2nc(SC)ncc2Cl)N2CCCCC2)cc1 ZINC000028289233 558696053 /nfs/dbraw/zinc/69/60/53/558696053.db2.gz DKVRNZCRMYWIRS-KRWDZBQOSA-N 0 1 420.966 3.818 50 0 HHAAMN CN(C)[C@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccccc1 ZINC000028290707 558696945 /nfs/dbraw/zinc/69/69/45/558696945.db2.gz BTLFVVBJKBAVCF-MRXNPFEDSA-N 0 1 415.287 3.588 50 0 HHAAMN O=c1c2ccccc2c(-c2ccccc2)nn1CN1CCN(Cc2ccccc2)CC1 ZINC000029498596 558716064 /nfs/dbraw/zinc/71/60/64/558716064.db2.gz PPHZFKZTEFKPDH-UHFFFAOYSA-N 0 1 410.521 3.839 50 0 HHAAMN O=C(C1=CCCC1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015078768 558717828 /nfs/dbraw/zinc/71/78/28/558717828.db2.gz QHRIGTWADZOAQX-HXUWFJFHSA-N 0 1 407.480 3.929 50 0 HHAAMN COc1cc([C@H]2ON=C(CNCc3ccc(Cl)cc3)[C@H]2C)c(OC)c2c1OCO2 ZINC000015085725 558720422 /nfs/dbraw/zinc/72/04/22/558720422.db2.gz RFNMMGDMDRSNEJ-XIKOKIGWSA-N 0 1 418.877 3.939 50 0 HHAAMN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000030630775 558734672 /nfs/dbraw/zinc/73/46/72/558734672.db2.gz SLPZFQQFNGFSQQ-QHCPKHFHSA-N 0 1 417.509 3.647 50 0 HHAAMN CC[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1n[nH]c(C)n1 ZINC000072298041 558750341 /nfs/dbraw/zinc/75/03/41/558750341.db2.gz GRXFYIPDCVFNMZ-CYBMUJFWSA-N 0 1 403.895 3.961 50 0 HHAAMN COc1cc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)cc(OC)c1OC ZINC000004585270 558775654 /nfs/dbraw/zinc/77/56/54/558775654.db2.gz KCIXTAARCOVTPM-UHFFFAOYSA-N 0 1 415.515 3.531 50 0 HHAAMN OCCN1CCN(CCO[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000038629964 558813230 /nfs/dbraw/zinc/81/32/30/558813230.db2.gz ZAAWVPYDNUHLJE-FQEVSTJZSA-N 0 1 418.990 3.715 50 0 HHAAMN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696570 558856274 /nfs/dbraw/zinc/85/62/74/558856274.db2.gz AEQDLFSCGXTHAF-UHFFFAOYSA-N 0 1 402.859 3.937 50 0 HHAAMN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000097953235 558865033 /nfs/dbraw/zinc/86/50/33/558865033.db2.gz ULNZVSBWMWLJBK-BQJUDKOJSA-N 0 1 406.526 3.945 50 0 aggregator HHAAMN CSc1ncccc1C(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000055196788 558875553 /nfs/dbraw/zinc/87/55/53/558875553.db2.gz TVRLWCRMXKGPCK-IBGZPJMESA-N 0 1 410.587 3.539 50 0 HHAAMN COc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1C ZINC000055269665 558877745 /nfs/dbraw/zinc/87/77/45/558877745.db2.gz XHJZYLIVCQOCBV-JOCHJYFZSA-N 0 1 411.521 3.570 50 0 HHAAMN CCc1ccccc1NC(=O)c1ccccc1NC(=O)CC[C@@H](C)N1CCOCC1 ZINC000055393097 558880803 /nfs/dbraw/zinc/88/08/03/558880803.db2.gz VRENBMDELWWYPI-GOSISDBHSA-N 0 1 409.530 3.941 50 0 HHAAMN CCc1ccc(CNC(=O)c2sc3ncnc(N4CCN(CC)CC4)c3c2C)cc1 ZINC000033048356 558885631 /nfs/dbraw/zinc/88/56/31/558885631.db2.gz IAGDRLMPUHNQQT-UHFFFAOYSA-N 0 1 423.586 3.634 50 0 HHAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)C(C)(C)C)c1 ZINC000057222776 558887688 /nfs/dbraw/zinc/88/76/88/558887688.db2.gz XALLSAHMZPJVAY-UHFFFAOYSA-N 0 1 409.530 3.780 50 0 HHAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)COc2ccc(F)cc2F)CC1 ZINC000058157518 558903425 /nfs/dbraw/zinc/90/34/25/558903425.db2.gz GESZHZLGADHODH-HNNXBMFYSA-N 0 1 421.463 3.502 50 0 HHAAMN COc1ccc([C@@H](CC(=O)N2CCC(N3CCOCC3)CC2)c2ccccc2)cc1 ZINC000019536284 558913755 /nfs/dbraw/zinc/91/37/55/558913755.db2.gz ZTQSWFJYUMRDTB-DEOSSOPVSA-N 0 1 408.542 3.540 50 0 HHAAMN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1CN1CCCC[C@@H]1C ZINC000058964797 558931151 /nfs/dbraw/zinc/93/11/51/558931151.db2.gz SJQVWOPKGHARHO-SFHVURJKSA-N 0 1 414.571 3.785 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N2CCCC2)n1 ZINC000064799701 558965532 /nfs/dbraw/zinc/96/55/32/558965532.db2.gz QJZSBJRVAIZDFO-UHFFFAOYSA-N 0 1 407.562 3.645 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(N2CCCC2)n1 ZINC000064800088 558965728 /nfs/dbraw/zinc/96/57/28/558965728.db2.gz CJDHTEPDHLMZAP-UHFFFAOYSA-N 0 1 418.904 3.532 50 0 HHAAMN C[C@H](CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1 ZINC000072426660 558978851 /nfs/dbraw/zinc/97/88/51/558978851.db2.gz LCZURGNBKGLBAW-GOSISDBHSA-N 0 1 408.546 3.888 50 0 HHAAMN C[C@@H](CN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1 ZINC000072453547 558982960 /nfs/dbraw/zinc/98/29/60/558982960.db2.gz LXZABHDRWFNMGX-IBGZPJMESA-N 0 1 408.546 3.738 50 0 HHAAMN O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000067622828 558990100 /nfs/dbraw/zinc/99/01/00/558990100.db2.gz ORNVWIZFXWLALR-UHFFFAOYSA-N 0 1 416.934 3.980 50 0 HHAAMN CCOCCN1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1CC ZINC000097164620 558998441 /nfs/dbraw/zinc/99/84/41/558998441.db2.gz QZBDDXVJIIUWLD-AWEZNQCLSA-N 0 1 405.873 3.906 50 0 HHAAMN Cc1ccc2n[nH]c(C(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000097212133 559012319 /nfs/dbraw/zinc/01/23/19/559012319.db2.gz DNNUQWQLXIULNK-UHFFFAOYSA-N 0 1 403.408 3.638 50 0 HHAAMN C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2-c2nnc[nH]2)C1 ZINC000095520498 559085119 /nfs/dbraw/zinc/08/51/19/559085119.db2.gz SQSFLXGVIQSWCH-HSZRJFAPSA-N 0 1 404.470 3.685 50 0 HHAAMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000096191816 559101157 /nfs/dbraw/zinc/10/11/57/559101157.db2.gz MYAJVPNKBNZSJR-UHFFFAOYSA-N 0 1 413.830 3.883 50 0 HHAAMN COc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100510978 559136080 /nfs/dbraw/zinc/13/60/80/559136080.db2.gz AJAPTWKTHVPRHV-FKBYEOEOSA-N 0 1 418.424 3.885 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C ZINC000004863403 559193445 /nfs/dbraw/zinc/19/34/45/559193445.db2.gz VFUQTHVFXSUIAI-HZPDHXFCSA-N 0 1 416.543 3.923 50 0 HHAAMN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000139894849 559289167 /nfs/dbraw/zinc/28/91/67/559289167.db2.gz ODAQEXPEXRLXOF-BHDDXSALSA-N 0 1 400.434 3.746 50 0 HHAAMN CN1CCN(c2ccc(Br)cc2NC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000078876989 560540637 /nfs/dbraw/zinc/54/06/37/560540637.db2.gz VMEALKNMUORYSZ-UHFFFAOYSA-N 0 1 421.339 3.739 50 0 HHAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000005343645 560566565 /nfs/dbraw/zinc/56/65/65/560566565.db2.gz LVZUAPLWQJMFAN-ZHRRBRCNSA-N 0 1 405.454 3.515 50 0 HHAAMN CSc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)cc1 ZINC000005343778 560566683 /nfs/dbraw/zinc/56/66/83/560566683.db2.gz GXGQMSGPISTAFK-FQEVSTJZSA-N 0 1 409.511 3.659 50 0 HHAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(Cl)cc2)N(CCN(C)C)C1=O ZINC000005351966 560569078 /nfs/dbraw/zinc/56/90/78/560569078.db2.gz SKDIJVSARWQOIN-LJQANCHMSA-N 0 1 412.873 3.562 50 0 HHAAMN COc1ccc(NC(=O)c2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000005653006 560637187 /nfs/dbraw/zinc/63/71/87/560637187.db2.gz GTKAPUZPUGDRNA-UHFFFAOYSA-N 0 1 406.460 3.949 50 0 HHAAMN O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000101070765 560770878 /nfs/dbraw/zinc/77/08/78/560770878.db2.gz WYZKGYKOYGOCGM-HKUYNNGSSA-N 0 1 421.250 3.895 50 0 HHAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1C ZINC000085690529 560853224 /nfs/dbraw/zinc/85/32/24/560853224.db2.gz KYNXUZAQCNEMPU-GOSISDBHSA-N 0 1 403.486 3.579 50 0 HHAAMN CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OCC)CC3)n[nH]2)cc1 ZINC000051315721 560856242 /nfs/dbraw/zinc/85/62/42/560856242.db2.gz GHQXNFMUMOFUER-UHFFFAOYSA-N 0 1 420.513 3.837 50 0 HHAAMN CC(C)(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982477 560858718 /nfs/dbraw/zinc/85/87/18/560858718.db2.gz DQFGLAYYLOBEOW-FCHUYYIVSA-N 0 1 414.521 3.997 50 0 HHAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984299 560858956 /nfs/dbraw/zinc/85/89/56/560858956.db2.gz FIKUOGRGTTXSKB-FCHUYYIVSA-N 0 1 400.494 3.607 50 0 HHAAMN CCOC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983615 560859291 /nfs/dbraw/zinc/85/92/91/560859291.db2.gz QTKJEPAJRPVJCC-LEWJYISDSA-N 0 1 402.922 3.733 50 0 HHAAMN O=S(=O)(c1ccccc1F)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106160525 560884820 /nfs/dbraw/zinc/88/48/20/560884820.db2.gz BFVNUDSALSSJKX-TZIWHRDSSA-N 0 1 402.535 3.891 50 0 HHAAMN Cc1ccc(OCCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000048289089 568434868 /nfs/dbraw/zinc/43/48/68/568434868.db2.gz KAWROSRJAQBXGN-OYRHEFFESA-N 0 1 410.558 3.998 50 0 HHAAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000048343797 568440624 /nfs/dbraw/zinc/44/06/24/568440624.db2.gz XNAWGDYDMXYEMJ-LLVKDONJSA-N 0 1 408.466 3.975 50 0 HHAAMN Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1C ZINC000049406557 568449085 /nfs/dbraw/zinc/44/90/85/568449085.db2.gz GFDHOYQEHIKZGQ-UHFFFAOYSA-N 0 1 408.527 3.790 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)NCc4ccc(C)cc4)c3=O)c2c1 ZINC000020330361 568599464 /nfs/dbraw/zinc/59/94/64/568599464.db2.gz MBCXEALRGYGSQV-UHFFFAOYSA-N 0 1 422.510 3.564 50 0 HHAAMN COc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1N1CCCCC1=O ZINC000040121328 568620761 /nfs/dbraw/zinc/62/07/61/568620761.db2.gz JCOKNYUPHQDVAL-KRWDZBQOSA-N 0 1 416.547 3.698 50 0 HHAAMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN(C)CCNC(=O)N(C)C)cc1 ZINC000095467774 568624852 /nfs/dbraw/zinc/62/48/52/568624852.db2.gz XMOZRVBTYFQOKN-UHFFFAOYSA-N 0 1 409.509 3.690 50 0 HHAAMN COc1ccc(CN2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1OC ZINC000095475598 568630079 /nfs/dbraw/zinc/63/00/79/568630079.db2.gz COKVXHXTGGOBEB-UHFFFAOYSA-N 0 1 407.514 3.508 50 0 HHAAMN CCOc1cc2[n-]c(=S)n(CC[N@H+]3CCCC[C@@H]3CC)c(=O)c2cc1OCC ZINC000020644599 568639073 /nfs/dbraw/zinc/63/90/73/568639073.db2.gz DIWHXHHRBNIPKP-HNNXBMFYSA-N 0 1 405.564 3.747 50 0 HHAAMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C2CCCC2)CC1 ZINC000021017103 568657563 /nfs/dbraw/zinc/65/75/63/568657563.db2.gz UEYSPUPYAROHAW-UHFFFAOYSA-N 0 1 403.324 3.540 50 0 HHAAMN CCc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324599 568733975 /nfs/dbraw/zinc/73/39/75/568733975.db2.gz JJTDRBVYRGEQAD-UHFFFAOYSA-N 0 1 403.486 3.525 50 0 HHAAMN O=C(CCc1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCN(c2ccccn2)CC1 ZINC000096363672 568739513 /nfs/dbraw/zinc/73/95/13/568739513.db2.gz HAGIEIFLKLEFSD-UHFFFAOYSA-N 0 1 411.509 3.906 50 0 HHAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3cc(C)c(C)o3)CC2)c(Cl)c1 ZINC000015078699 568749893 /nfs/dbraw/zinc/74/98/93/568749893.db2.gz GIPQCLZBFHYPME-UHFFFAOYSA-N 0 1 420.937 3.969 50 0 HHAAMN O=C1COc2ccc(Cl)cc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000096592194 568763048 /nfs/dbraw/zinc/76/30/48/568763048.db2.gz RAXZPIXGPXCVFL-UHFFFAOYSA-N 0 1 420.340 3.931 50 0 HHAAMN CN(C)[C@H](CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002655655 568797771 /nfs/dbraw/zinc/79/77/71/568797771.db2.gz IMDLDGDMEZFVQU-GOSISDBHSA-N 0 1 403.320 3.831 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000057315839 568826828 /nfs/dbraw/zinc/82/68/28/568826828.db2.gz ZUPFXKSSYKWYIH-UHFFFAOYSA-N 0 1 422.312 3.784 50 0 HHAAMN COc1cc(NS(=O)(=O)c2cccc(Br)c2)c(OC)cc1Cl ZINC000003334877 568882669 /nfs/dbraw/zinc/88/26/69/568882669.db2.gz JCJWNGURLQRLHQ-UHFFFAOYSA-N 0 1 406.685 3.921 50 0 HHAAMN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000012609153 568871468 /nfs/dbraw/zinc/87/14/68/568871468.db2.gz IBCMECKMPXBOEL-UHFFFAOYSA-N 0 1 407.417 3.736 50 0 HHAAMN Cc1nc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cs1 ZINC000670448120 568918858 /nfs/dbraw/zinc/91/88/58/568918858.db2.gz NIXLSKPNULFFTO-UHFFFAOYSA-N 0 1 422.479 3.709 50 0 HHAAMN CCC[C@H](CNC(=O)CSc1nc(N)cc(N)n1)c1ccc(Cl)cc1Cl ZINC000031353914 568924748 /nfs/dbraw/zinc/92/47/48/568924748.db2.gz SQSIXLCPNGGFQE-SNVBAGLBSA-N 0 1 414.362 3.740 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCc3ccccc32)cc1 ZINC000012754881 568942508 /nfs/dbraw/zinc/94/25/08/568942508.db2.gz HFHFOSMTAMQLDO-UHFFFAOYSA-N 0 1 408.479 3.699 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 ZINC000008033390 568969513 /nfs/dbraw/zinc/96/95/13/568969513.db2.gz JNHYFFMGOGKTIT-UHFFFAOYSA-N 0 1 402.516 3.949 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2cccc(Br)c2)C1C(=O)OCc1ccccc1 ZINC000038144627 568972693 /nfs/dbraw/zinc/97/26/93/568972693.db2.gz MYNMNSGETXGELN-KRWDZBQOSA-N 0 1 401.260 3.820 50 0 HHAAMN CCCCc1nn2c(nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cc2=O)s1 ZINC000015731869 568982231 /nfs/dbraw/zinc/98/22/31/568982231.db2.gz YRLRGPTXWVAVLJ-UHFFFAOYSA-N 0 1 412.544 3.879 50 0 HHAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nccnc1-c1nc2ccccc2s1 ZINC000008367134 568995532 /nfs/dbraw/zinc/99/55/32/568995532.db2.gz JHVXONMNEJMRFN-QGZVFWFLSA-N 0 1 415.522 3.758 50 0 HHAAMN CC(C)=CCN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO ZINC000104481713 569008915 /nfs/dbraw/zinc/00/89/15/569008915.db2.gz JAMOXTCRXMTERV-OAQYLSRUSA-N 0 1 400.954 3.632 50 0 HHAAMN CCCn1c(=O)cc(O)nc1SCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000012947659 569029329 /nfs/dbraw/zinc/02/93/29/569029329.db2.gz FLXDANLTWUSIPH-UHFFFAOYSA-N 0 1 411.483 3.882 50 0 HHAAMN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1)N1CCc2ccccc2C1 ZINC000035426930 569036550 /nfs/dbraw/zinc/03/65/50/569036550.db2.gz BQCYYVPUQVVRAM-UHFFFAOYSA-N 0 1 413.446 3.904 50 0 HHAAMN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000006304933 569038699 /nfs/dbraw/zinc/03/86/99/569038699.db2.gz QYDINJGCFUIIJF-BQJUDKOJSA-N 0 1 400.478 3.817 50 0 HHAAMN CCOC(=O)C1=C(CN2CCC(C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000035991521 569074638 /nfs/dbraw/zinc/07/46/38/569074638.db2.gz UBULVZPJXXSZTP-HXUWFJFHSA-N 0 1 419.953 3.975 50 0 HHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000006752755 569111264 /nfs/dbraw/zinc/11/12/64/569111264.db2.gz KGVGCFSTUPDYMY-GAJHUEQPSA-N 0 1 419.481 3.905 50 0 HHAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)c1 ZINC000006752854 569111432 /nfs/dbraw/zinc/11/14/32/569111432.db2.gz LKYUAJAZDVOQDB-QFIPXVFZSA-N 0 1 407.470 3.763 50 0 HHAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(F)c2)C[C@@H](O)COC(C)C)C1 ZINC000169681672 569127764 /nfs/dbraw/zinc/12/77/64/569127764.db2.gz XNJBVESUFGJTCK-YADHBBJMSA-N 0 1 414.521 3.915 50 0 HHAAMN CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169681975 569133861 /nfs/dbraw/zinc/13/38/61/569133861.db2.gz PCQKJBXXDHGCIA-CTNGQTDRSA-N 0 1 417.475 3.705 50 0 HHAAMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Br)cc1 ZINC000064969401 569138013 /nfs/dbraw/zinc/13/80/13/569138013.db2.gz JCZJWAZPYVBZKH-UHFFFAOYSA-N 0 1 405.683 3.860 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000036344767 569142895 /nfs/dbraw/zinc/14/28/95/569142895.db2.gz KBVXIVJDLIDABM-XMMPIXPASA-N 0 1 422.548 3.758 50 0 HHAAMN CN(C)[C@@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369836 569153756 /nfs/dbraw/zinc/15/37/56/569153756.db2.gz OYBOOSWHSZRNLY-WIOPSUGQSA-N 0 1 412.493 3.662 50 0 biogenic HHAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021347 569154392 /nfs/dbraw/zinc/15/43/92/569154392.db2.gz KTGBVMYIKMBEQD-UHFFFAOYSA-N 0 1 400.500 3.530 50 0 HHAAMN O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccc(O)c(Cl)c1 ZINC000007000003 569196977 /nfs/dbraw/zinc/19/69/77/569196977.db2.gz FXQCODRARYDXNS-YBEGLDIGSA-N 0 1 402.859 3.512 50 0 HHAAMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000007109302 569221456 /nfs/dbraw/zinc/22/14/56/569221456.db2.gz IGYFKEVEELPDRA-UHFFFAOYSA-N 0 1 413.465 3.648 50 0 HHAAMN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)C1 ZINC000007252259 569230461 /nfs/dbraw/zinc/23/04/61/569230461.db2.gz SRRFLLSNAJJCRL-VXGBXAGGSA-N 0 1 409.353 3.831 50 0 HHAAMN O=C(CCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CCCC1 ZINC000065533853 569234492 /nfs/dbraw/zinc/23/44/92/569234492.db2.gz UIWIPUZZKDVXBL-UHFFFAOYSA-N 0 1 418.891 3.715 50 0 HHAAMN CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)c2cc(C(C)C)[nH]n2)[nH]n1 ZINC000089893304 569267833 /nfs/dbraw/zinc/26/78/33/569267833.db2.gz GAEBHYBXIUFOEG-PMACEKPBSA-N 0 1 414.554 3.535 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000002279227 569327980 /nfs/dbraw/zinc/32/79/80/569327980.db2.gz IIVIDDUDYYSMQA-TXEJJXNPSA-N 0 1 422.323 3.633 50 0 HHAAMN CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000253429438 569368792 /nfs/dbraw/zinc/36/87/92/569368792.db2.gz SGHLJIHASAUEOR-UHFFFAOYSA-N 0 1 423.504 3.559 50 0 HHAAMN COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c(O)cc(C)oc2=O)cc1 ZINC000253470707 569381048 /nfs/dbraw/zinc/38/10/48/569381048.db2.gz AISGMWORNUOCDF-QGZVFWFLSA-N 0 1 423.421 3.552 50 0 HHAAMN COc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)c2c(O)cc(C)oc2=O)cc1O ZINC000253471524 569381055 /nfs/dbraw/zinc/38/10/55/569381055.db2.gz URJPQDLQUQBJLY-MRXNPFEDSA-N 0 1 413.401 3.668 50 0 HHAAMN COc1ccc(CNC(=O)CN2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000079024398 569424548 /nfs/dbraw/zinc/42/45/48/569424548.db2.gz JJYFSVXSZXCTHI-ICSRJNTNSA-N 0 1 402.560 3.741 50 0 HHAAMN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000079045996 569425221 /nfs/dbraw/zinc/42/52/21/569425221.db2.gz NEWNHSJHWJKNJI-GOSISDBHSA-N 0 1 422.504 3.762 50 0 HHAAMN CN1CCN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccccc2)CC1 ZINC000000721169 571041256 /nfs/dbraw/zinc/04/12/56/571041256.db2.gz WRPDQUCFOSSPJS-UHFFFAOYSA-N 0 1 410.319 3.720 50 0 HHAAMN O=c1cc(CSc2nc(-c3ccccc3)n[nH]2)nc2ccc(Br)cn12 ZINC000008719047 571106094 /nfs/dbraw/zinc/10/60/94/571106094.db2.gz WRQMQNSHYHYKCD-UHFFFAOYSA-N 0 1 414.288 3.534 50 0 HHAAMN Cc1nc(COc2ccccc2C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)no1 ZINC000040087004 571157643 /nfs/dbraw/zinc/15/76/43/571157643.db2.gz AGZGCVLWNVAMOI-UHFFFAOYSA-N 0 1 420.513 3.614 50 0 HHAAMN CC(NN1CCCC[C@H]1c1cccnc1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000008997181 571209204 /nfs/dbraw/zinc/20/92/04/571209204.db2.gz IZPXVWQQOKUJLO-YTVAGWOFSA-N 0 1 419.485 3.506 50 0 biogenic HHAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000009448623 571259674 /nfs/dbraw/zinc/25/96/74/571259674.db2.gz YWPABVOUXBAVPW-ZDUSSCGKSA-N 0 1 410.499 3.925 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C3CC3)ccc2Cl)cc1 ZINC000009467886 571261247 /nfs/dbraw/zinc/26/12/47/571261247.db2.gz ZVBGDRBVDYOMBS-GFCCVEGCSA-N 0 1 408.907 3.678 50 0 HHAAMN CC(C)N(C(=O)CSc1nc(N)cc(N)n1)c1ccc(Nc2ccccc2)cc1 ZINC000009514311 571264611 /nfs/dbraw/zinc/26/46/11/571264611.db2.gz RJQVAFMVBOPRQB-UHFFFAOYSA-N 0 1 408.531 3.918 50 0 HHAAMN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000009963632 571293101 /nfs/dbraw/zinc/29/31/01/571293101.db2.gz KUAHKYDGQJYROH-UHFFFAOYSA-N 0 1 424.478 3.951 50 0 HHAAMN C[C@@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)on1 ZINC000011789800 962190533 /nfs/dbraw/zinc/19/05/33/962190533.db2.gz ATOJBAULHUNTCQ-AWEZNQCLSA-N 0 1 422.485 3.624 50 0 HHAAMN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cc(C(C)C)n[nH]3)CC2)[C@H]1OC ZINC000011882515 962206343 /nfs/dbraw/zinc/20/63/43/962206343.db2.gz GGGLEMJGRCBNDF-PKTZIBPZSA-N 0 1 410.562 3.663 50 0 HHAAMN Cc1c([C@@H](C)NC(=O)CN2CCC(c3ccccc3)CC2)cnn1-c1ccccn1 ZINC000011936824 962211639 /nfs/dbraw/zinc/21/16/39/962211639.db2.gz WKLYBYOSLAMPHN-GOSISDBHSA-N 0 1 403.530 3.633 50 0 HHAAMN O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000012754463 962324432 /nfs/dbraw/zinc/32/44/32/962324432.db2.gz GVTWWAKVYFSOGJ-OAHLLOKOSA-N 0 1 409.511 3.667 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)n2)o1 ZINC000012842182 962337993 /nfs/dbraw/zinc/33/79/93/962337993.db2.gz TVFSEYQGPMTNFR-WTNCMQEWSA-N 0 1 423.498 3.733 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c1 ZINC000014170758 962439366 /nfs/dbraw/zinc/43/93/66/962439366.db2.gz ASSAQSZFQGWBJM-BJMVGYQFSA-N 0 1 415.389 3.736 50 0 HHAAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014174277 962440455 /nfs/dbraw/zinc/44/04/55/962440455.db2.gz JQCQRCHXFGFZFK-OXFRDRNISA-N 0 1 412.446 3.962 50 0 HHAAMN Cc1ccc([C@H](C)CCN2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 ZINC000014748278 962568134 /nfs/dbraw/zinc/56/81/34/962568134.db2.gz PUNKYBXDPMHCBG-QGZVFWFLSA-N 0 1 406.530 3.803 50 0 HHAAMN Cc1cccc(Cc2nnc(CCC(=O)N(C)Cc3nc4ccc(F)cc4[nH]3)o2)c1 ZINC000015080508 962653636 /nfs/dbraw/zinc/65/36/36/962653636.db2.gz KXWGYVFZLQKJGL-UHFFFAOYSA-N 0 1 407.449 3.575 50 0 HHAAMN COc1ccc(OCc2cc(C(=O)N(C)Cc3cc(C4CC4)[nH]n3)no2)c(Cl)c1 ZINC000015936586 962898545 /nfs/dbraw/zinc/89/85/45/962898545.db2.gz OHQQKQLUJDTKBE-UHFFFAOYSA-N 0 1 416.865 3.788 50 0 HHAAMN COc1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc2c1OCO2 ZINC000023282634 963793795 /nfs/dbraw/zinc/79/37/95/963793795.db2.gz HNTXAAIGSPTKSG-UHFFFAOYSA-N 0 1 420.303 3.670 50 0 HHAAMN Cc1cnc(CO[C@H]2CCCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)C2)n1C ZINC000257176401 970617901 /nfs/dbraw/zinc/61/79/01/970617901.db2.gz SPTKUCPRJNRYAB-IBGZPJMESA-N 0 1 407.518 3.557 50 0 HHAAMN Cc1noc(C)c1Cc1ccc(C(=O)N2CC(N(Cc3cccnc3)CC(C)C)C2)o1 ZINC000257183383 970620086 /nfs/dbraw/zinc/62/00/86/970620086.db2.gz HMSKHMHAOHNXSV-UHFFFAOYSA-N 0 1 422.529 3.853 50 0 HHAAMN COCCC1(NC(=O)c2ccccc2)CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000257191756 970623819 /nfs/dbraw/zinc/62/38/19/970623819.db2.gz PZCKXVHEAFWQMW-UHFFFAOYSA-N 0 1 424.570 3.939 50 0 HHAAMN CCN1CCN(c2ncnc3c2oc2nc(CC(C)C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002226200 132249777 /nfs/dbraw/zinc/24/97/77/132249777.db2.gz GZEDZYCEPYLSSK-UHFFFAOYSA-N 0 1 423.561 3.963 50 0 HHAAMN O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc(Br)cc1 ZINC000004706711 132284478 /nfs/dbraw/zinc/28/44/78/132284478.db2.gz IINNOWQMMDWMMI-UHFFFAOYSA-N 0 1 406.299 3.739 50 0 HHAAMN COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2Cl)CC1 ZINC000004792385 132288911 /nfs/dbraw/zinc/28/89/11/132288911.db2.gz NDUCQURLRFZIPO-UHFFFAOYSA-N 0 1 402.926 3.682 50 0 HHAAMN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccc2)CC1 ZINC000012534079 132362087 /nfs/dbraw/zinc/36/20/87/132362087.db2.gz HEIGLKCAOCLBOE-LJQANCHMSA-N 0 1 420.582 3.825 50 0 HHAAMN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCN(C)CC4)nc3)ccc2c1 ZINC000012613651 132365295 /nfs/dbraw/zinc/36/52/95/132365295.db2.gz XXEBUUYOEFFTLT-KRWDZBQOSA-N 0 1 404.514 3.737 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccccc4OC)ccc3n2)CC1 ZINC000020108633 521696705 /nfs/dbraw/zinc/69/67/05/521696705.db2.gz WPRFWBAPZMFRJS-UHFFFAOYSA-N 0 1 418.541 3.875 50 0 HHAAMN CN(C)[C@H](CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(F)c1 ZINC000040103433 522077092 /nfs/dbraw/zinc/07/70/92/522077092.db2.gz PDQJVLXUHKCUDY-HXUWFJFHSA-N 0 1 420.916 3.740 50 0 HHAAMN CC[C@@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000032948522 522168607 /nfs/dbraw/zinc/16/86/07/522168607.db2.gz XULKLGOEXBNQOD-SNVBAGLBSA-N 0 1 406.558 3.512 50 0 HHAAMN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccc(C)s4)[nH]n3)CC2)cc1F ZINC000032234394 524031272 /nfs/dbraw/zinc/03/12/72/524031272.db2.gz DEOAQHNHXKRUQG-UHFFFAOYSA-N 0 1 414.506 3.552 50 0 HHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000040103436 526580489 /nfs/dbraw/zinc/58/04/89/526580489.db2.gz KDMNUBIDHYADEX-LJQANCHMSA-N 0 1 418.925 3.728 50 0 HHAAMN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2nc(C3CCCC3)n[nH]2)C1=O ZINC000032883963 526687679 /nfs/dbraw/zinc/68/76/79/526687679.db2.gz SYDINTQCEQTSAZ-INIZCTEOSA-N 0 1 402.495 3.915 50 0 HHAAMN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2n[nH]c(C3CCCC3)n2)C1=O ZINC000032883963 526687684 /nfs/dbraw/zinc/68/76/84/526687684.db2.gz SYDINTQCEQTSAZ-INIZCTEOSA-N 0 1 402.495 3.915 50 0 HHAAMN O=C(CN1CCC(Nc2ncnc3sc(-c4ccccc4)cc32)CC1)N1CCCC1 ZINC000032937619 526728784 /nfs/dbraw/zinc/72/87/84/526728784.db2.gz UXEPGJNBANDLRM-UHFFFAOYSA-N 0 1 421.570 3.857 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000012745998 535754116 /nfs/dbraw/zinc/75/41/16/535754116.db2.gz LKOVPWZASNSSEU-UHFFFAOYSA-N 0 1 423.492 3.589 50 0 HHAAMN Cc1ccc(N2CCN(Cc3ccc(C(=O)NC[C@H]4CCCO4)cc3)CC2)cc1C ZINC000034668111 557361691 /nfs/dbraw/zinc/36/16/91/557361691.db2.gz FQQOCCFCGNCAGS-XMMPIXPASA-N 0 1 407.558 3.534 50 0 HHAAMN CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)cc1Br ZINC000003885686 557502486 /nfs/dbraw/zinc/50/24/86/557502486.db2.gz CYVQTNHQRHRCMM-UHFFFAOYSA-N 0 1 405.701 3.884 50 0 HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)n1 ZINC000002709435 557744788 /nfs/dbraw/zinc/74/47/88/557744788.db2.gz DABJYUANHRFBRK-UHFFFAOYSA-N 0 1 422.510 3.717 50 0 HHAAMN CCn1ncc(S(=O)(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1C ZINC000002804905 557763745 /nfs/dbraw/zinc/76/37/45/557763745.db2.gz PLBRNAFSWCIMDD-UHFFFAOYSA-N 0 1 407.927 3.527 50 0 HHAAMN COC(=O)[C@@](NC(=O)c1ccccc1C)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000009111598 557824238 /nfs/dbraw/zinc/82/42/38/557824238.db2.gz WUVMDOTXWZTAOT-GOSISDBHSA-N 0 1 423.416 3.878 50 0 HHAAMN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCc1ccc2c(c1)OCO2 ZINC000011663550 558267364 /nfs/dbraw/zinc/26/73/64/558267364.db2.gz NLWHDPDNZLCSAJ-UHFFFAOYSA-N 0 1 420.513 3.677 50 0 HHAAMN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000019774000 558280823 /nfs/dbraw/zinc/28/08/23/558280823.db2.gz JDCDWEDQQHQOHR-GOSISDBHSA-N 0 1 423.586 3.780 50 0 HHAAMN Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3c(C)nc4sccn34)C2)o1 ZINC000011819163 558282475 /nfs/dbraw/zinc/28/24/75/558282475.db2.gz BFALRJVMXYFOJJ-QGZVFWFLSA-N 0 1 400.548 3.914 50 0 HHAAMN CC[C@@H]1CN(CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000011910151 558296659 /nfs/dbraw/zinc/29/66/59/558296659.db2.gz JJNMIPRSAJXCLP-IEBWSBKVSA-N 0 1 415.559 3.879 50 0 HHAAMN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC000011935783 558299960 /nfs/dbraw/zinc/29/99/60/558299960.db2.gz BJHQAZUCZAUKNP-QGZVFWFLSA-N 0 1 413.518 3.616 50 0 HHAAMN CCc1ocnc1C(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000011996653 558306960 /nfs/dbraw/zinc/30/69/60/558306960.db2.gz FFFKBYQHHULZAF-MRXNPFEDSA-N 0 1 403.473 3.890 50 0 HHAAMN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 ZINC000012004183 558308676 /nfs/dbraw/zinc/30/86/76/558308676.db2.gz JKWJECJZNUUZCQ-NRFANRHFSA-N 0 1 410.533 3.741 50 0 HHAAMN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000012091544 558324255 /nfs/dbraw/zinc/32/42/55/558324255.db2.gz QADHOKXPHAWPEF-OAQYLSRUSA-N 0 1 400.563 3.666 50 0 HHAAMN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000012434134 558408071 /nfs/dbraw/zinc/40/80/71/558408071.db2.gz RRVDZXIBVHQVIB-QFIPXVFZSA-N 0 1 417.456 3.594 50 0 HHAAMN CCc1[nH]nc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)c1C ZINC000012446571 558414324 /nfs/dbraw/zinc/41/43/24/558414324.db2.gz JSBIGKXKYQFIOR-HSZRJFAPSA-N 0 1 414.525 3.557 50 0 HHAAMN CCCCN1C(=O)NC(=Cc2c(Cc3ccccc3)[nH]n(-c3ccccc3)c2=O)C1=O ZINC000004346912 558427796 /nfs/dbraw/zinc/42/77/96/558427796.db2.gz XXZBNKSJXBYDAW-PGMHBOJBSA-N 0 1 416.481 3.862 50 0 HHAAMN Cc1ccc(C2(c3noc(CN(C)CCCCN4CCOCC4)n3)CCCC2)cc1 ZINC000012583164 558433187 /nfs/dbraw/zinc/43/31/87/558433187.db2.gz JASRNXKRVJLPJX-UHFFFAOYSA-N 0 1 412.578 3.782 50 0 HHAAMN COc1ccc(-c2nc(CN3CCC[C@@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 ZINC000012588176 558434878 /nfs/dbraw/zinc/43/48/78/558434878.db2.gz HGZSBEBWQAVVOI-QGZVFWFLSA-N 0 1 413.518 3.502 50 0 HHAAMN Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2cnc(N3CCOCC3)s2)cc1C ZINC000012589817 558435376 /nfs/dbraw/zinc/43/53/76/558435376.db2.gz OHHNYVVZHQDBPB-OAQYLSRUSA-N 0 1 423.586 3.949 50 0 HHAAMN COc1cccc(-c2nc(COC(=O)c3ccccc3NS(C)(=O)=O)cs2)c1 ZINC000012630430 558441643 /nfs/dbraw/zinc/44/16/43/558441643.db2.gz XNJJUESLZORUGB-UHFFFAOYSA-N 0 1 418.496 3.547 50 0 HHAAMN COc1ccccc1/C=C/CN1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012716507 558455368 /nfs/dbraw/zinc/45/53/68/558455368.db2.gz YIBMHRUILJZEHV-LNYGYFNRSA-N 0 1 414.571 3.540 50 0 HHAAMN O[C@H](COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022030021 558459092 /nfs/dbraw/zinc/45/90/92/558459092.db2.gz XJARCBWQBOGRIF-QHCPKHFHSA-N 0 1 406.526 3.564 50 0 HHAAMN Cc1cc(Br)ccc1NC(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000022912190 558519594 /nfs/dbraw/zinc/51/95/94/558519594.db2.gz QKNADXGOWTURNR-UHFFFAOYSA-N 0 1 416.363 3.556 50 0 HHAAMN Cc1nc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cc2[nH]1 ZINC000010896101 558547899 /nfs/dbraw/zinc/54/78/99/558547899.db2.gz ZQNGWPSMCUSCJN-IBGZPJMESA-N 0 1 404.495 3.913 50 0 HHAAMN COc1ccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000013607322 558548062 /nfs/dbraw/zinc/54/80/62/558548062.db2.gz XKQFDGCITNPJKH-UHFFFAOYSA-N 0 1 414.270 3.531 50 0 HHAAMN C[C@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CCN1C ZINC000023375475 558554747 /nfs/dbraw/zinc/55/47/47/558554747.db2.gz YWMVMYBOCBTWHG-KRWDZBQOSA-N 0 1 417.985 3.530 50 0 HHAAMN O=C(c1cccc2c[nH]nc21)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024921755 558620327 /nfs/dbraw/zinc/62/03/27/558620327.db2.gz PDTBHEZVOFZJGU-UHFFFAOYSA-N 0 1 421.501 3.784 50 0 HHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000025331695 558638728 /nfs/dbraw/zinc/63/87/28/558638728.db2.gz PUBCMBYZBZXZTQ-NRFANRHFSA-N 0 1 421.570 3.913 50 0 HHAAMN CN(C)[C@@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccsc1 ZINC000025814481 558650700 /nfs/dbraw/zinc/65/07/00/558650700.db2.gz MYUDBWJQWJSPSG-INIZCTEOSA-N 0 1 407.333 3.706 50 0 HHAAMN O=C(CCN1CCC[C@@H]1C(=O)NCc1ccco1)Nc1c(Cl)cccc1Cl ZINC000026134722 558656330 /nfs/dbraw/zinc/65/63/30/558656330.db2.gz PTBVPTQXAOCOIN-MRXNPFEDSA-N 0 1 410.301 3.696 50 0 HHAAMN O=C(CCN1CCC[C@H]1C(=O)NCc1ccco1)Nc1c(Cl)cccc1Cl ZINC000026134729 558656357 /nfs/dbraw/zinc/65/63/57/558656357.db2.gz PTBVPTQXAOCOIN-INIZCTEOSA-N 0 1 410.301 3.696 50 0 HHAAMN CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000022936110 558666395 /nfs/dbraw/zinc/66/63/95/558666395.db2.gz LFWMLIYDZZJGIT-UHFFFAOYSA-N 0 1 411.937 3.709 50 0 HHAAMN CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccoc1)CC2 ZINC000014741807 558667346 /nfs/dbraw/zinc/66/73/46/558667346.db2.gz JLSMGNVIKJEAEB-UHFFFAOYSA-N 0 1 410.518 3.520 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)N2CCCCC2)cc1 ZINC000027668811 558680074 /nfs/dbraw/zinc/68/00/74/558680074.db2.gz XVKPIZLUVCVQIS-XMMPIXPASA-N 0 1 421.541 3.561 50 0 HHAAMN COC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000014976388 558689499 /nfs/dbraw/zinc/68/94/99/558689499.db2.gz NESXOLZCKDGGOM-UHFFFAOYSA-N 0 1 405.498 3.933 50 0 HHAAMN COc1cccc(-c2cc(CC3(O)CCN(Cc4ccc5c(c4)CCO5)CC3)on2)c1 ZINC000015070822 558712827 /nfs/dbraw/zinc/71/28/27/558712827.db2.gz VCERQRQDHAWSRJ-UHFFFAOYSA-N 0 1 420.509 3.855 50 0 HHAAMN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000015077753 558717365 /nfs/dbraw/zinc/71/73/65/558717365.db2.gz HZYSJVHDQRMJPT-OAQYLSRUSA-N 0 1 423.529 3.875 50 0 HHAAMN C[C@@H](c1ccon1)N(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000015080319 558718810 /nfs/dbraw/zinc/71/88/10/558718810.db2.gz MYQRBUQJIGTNMM-SFHVURJKSA-N 0 1 420.513 3.946 50 0 HHAAMN O=C(NCc1cccc(F)c1)N1CC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000065266360 558745639 /nfs/dbraw/zinc/74/56/39/558745639.db2.gz QUPMZFRALGJECI-QHCPKHFHSA-N 0 1 422.508 3.563 50 0 HHAAMN COc1cc(CN(Cc2cc(=O)n3ccc(C)cc3n2)C2CC2)ccc1OC(F)F ZINC000016424081 558790639 /nfs/dbraw/zinc/79/06/39/558790639.db2.gz ZQKLTXIJXASYPG-UHFFFAOYSA-N 0 1 415.440 3.778 50 0 HHAAMN CC(C)OC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146229 558798108 /nfs/dbraw/zinc/79/81/08/558798108.db2.gz KWSJNFCNEDZEJS-PMACEKPBSA-N 0 1 400.494 3.607 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036340888 558799067 /nfs/dbraw/zinc/79/90/67/558799067.db2.gz OOVIEOKKDDWYOQ-QHCPKHFHSA-N 0 1 424.976 3.964 50 0 HHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018057012 558830257 /nfs/dbraw/zinc/83/02/57/558830257.db2.gz AJAPTWKTHVPRHV-BDTNDASRSA-N 0 1 418.424 3.885 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(-c2noc(CC)n2)c1 ZINC000033013357 558832998 /nfs/dbraw/zinc/83/29/98/558832998.db2.gz QULVNXNZPPGTOP-UHFFFAOYSA-N 0 1 403.460 3.507 50 0 HHAAMN COc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(C(F)(F)F)cc3)n2)c(OC)c1 ZINC000060330311 558837362 /nfs/dbraw/zinc/83/73/62/558837362.db2.gz IZBHIGWALVGUQZ-UHFFFAOYSA-N 0 1 406.364 3.689 50 0 HHAAMN CC(C)c1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000004660656 558873673 /nfs/dbraw/zinc/87/36/73/558873673.db2.gz ZEICOWVOYBQUOR-UHFFFAOYSA-N 0 1 419.510 3.963 50 0 HHAAMN CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000055226538 558876807 /nfs/dbraw/zinc/87/68/07/558876807.db2.gz IIWDWNYHEGFJHI-JOCHJYFZSA-N 0 1 407.514 3.573 50 0 aggregator HHAAMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000006141459 558890865 /nfs/dbraw/zinc/89/08/65/558890865.db2.gz IKSIJTCZNOGIJY-GFCCVEGCSA-N 0 1 411.487 3.558 50 0 HHAAMN CCCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000058156843 558902990 /nfs/dbraw/zinc/90/29/90/558902990.db2.gz LYAYIXMWXYRAFM-UHFFFAOYSA-N 0 1 418.541 3.775 50 0 HHAAMN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@H]2C(N)=O)cc1OC ZINC000072418259 558978198 /nfs/dbraw/zinc/97/81/98/558978198.db2.gz DDAYVCCBRHHILS-FQEVSTJZSA-N 0 1 405.498 3.677 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)nc(N2CCCC2)n1 ZINC000067601955 558987653 /nfs/dbraw/zinc/98/76/53/558987653.db2.gz MMTGYFDTYWIXSE-UHFFFAOYSA-N 0 1 414.941 3.701 50 0 HHAAMN C[C@@H](C(=O)NC1CC1)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756097 558992474 /nfs/dbraw/zinc/99/24/74/558992474.db2.gz JEIRJLQGXXGTOX-KRWDZBQOSA-N 0 1 400.526 3.615 50 0 HHAAMN O[C@@H](Cn1ccc2ccccc21)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095626627 559087600 /nfs/dbraw/zinc/08/76/00/559087600.db2.gz CIRWJIBTDIZRSF-GOSISDBHSA-N 0 1 401.913 3.613 50 0 HHAAMN CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1ccccc1 ZINC000023362921 559173251 /nfs/dbraw/zinc/17/32/51/559173251.db2.gz HCBOEDNCMYVAOX-GCJKJVERSA-N 0 1 401.501 3.566 50 0 HHAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccccc2)cc1 ZINC000035372877 559179050 /nfs/dbraw/zinc/17/90/50/559179050.db2.gz YIKZXWRNVWTARH-UHFFFAOYSA-N 0 1 422.554 3.690 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NC(C)C)c3=O)c2c1 ZINC000004950513 559215701 /nfs/dbraw/zinc/21/57/01/559215701.db2.gz JSKBBWVEVXWWPZ-UHFFFAOYSA-N 0 1 402.520 3.634 50 0 HHAAMN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)[nH]1 ZINC000011706180 559233707 /nfs/dbraw/zinc/23/37/07/559233707.db2.gz AGUNKBAZHHPFEA-UHFFFAOYSA-N 0 1 401.879 3.750 50 0 HHAAMN Cc1n[nH]c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000011706180 559233709 /nfs/dbraw/zinc/23/37/09/559233709.db2.gz AGUNKBAZHHPFEA-UHFFFAOYSA-N 0 1 401.879 3.750 50 0 HHAAMN CCCCNC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000005043103 559236233 /nfs/dbraw/zinc/23/62/33/559236233.db2.gz XEMLTXHUHFRPMJ-UHFFFAOYSA-N 0 1 415.534 3.796 50 0 HHAAMN CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccc(CC)cc2)c(=O)[nH]1 ZINC000005091898 559243909 /nfs/dbraw/zinc/24/39/09/559243909.db2.gz QTQJBLKZGAVIKH-UHFFFAOYSA-N 0 1 407.542 3.722 50 0 HHAAMN CN(C)CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2ccc(F)cc2s1 ZINC000005115250 559247279 /nfs/dbraw/zinc/24/72/79/559247279.db2.gz VDRAMYFWFBSDAE-UHFFFAOYSA-N 0 1 411.458 3.750 50 0 HHAAMN Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 ZINC000248072224 559275084 /nfs/dbraw/zinc/27/50/84/559275084.db2.gz ACJMSTQVVQYGQW-GBXCKJPGSA-N 0 1 403.482 3.570 50 0 HHAAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000005462416 560591860 /nfs/dbraw/zinc/59/18/60/560591860.db2.gz QCFTZWYRIHVPDV-OAQYLSRUSA-N 0 1 411.889 3.980 50 0 HHAAMN O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000101373435 560792826 /nfs/dbraw/zinc/79/28/26/560792826.db2.gz SLAJUOZUPUEYNH-JOCHJYFZSA-N 0 1 416.521 3.893 50 0 HHAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102699895 560820161 /nfs/dbraw/zinc/82/01/61/560820161.db2.gz NFRIQTUVSBIGGV-FSSWDIPSSA-N 0 1 400.434 3.746 50 0 HHAAMN COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 ZINC000103514790 560842797 /nfs/dbraw/zinc/84/27/97/560842797.db2.gz VMSPJWIOVOTBEH-UNMCSNQZSA-N 0 1 415.424 3.617 50 0 HHAAMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1Cl ZINC000085690508 560853100 /nfs/dbraw/zinc/85/31/00/560853100.db2.gz OYZAFTPYHCCJLJ-INIZCTEOSA-N 0 1 423.904 3.924 50 0 HHAAMN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Br)n2nnnc2N1 ZINC000045896107 568421313 /nfs/dbraw/zinc/42/13/13/568421313.db2.gz IIJQAQUSCLSCBH-INIZCTEOSA-N 0 1 418.295 3.600 50 0 HHAAMN CSc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000046017297 568423761 /nfs/dbraw/zinc/42/37/61/568423761.db2.gz GGOOVLVCLXXSQP-MRXNPFEDSA-N 0 1 421.526 3.685 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC(F)F)c2)N2CCCC2)cc1 ZINC000048354721 568441166 /nfs/dbraw/zinc/44/11/66/568441166.db2.gz ZOOSJDKWEMACAE-SFHVURJKSA-N 0 1 420.456 3.872 50 0 HHAAMN Cc1ccccc1-c1cc(C(=O)N2CCC(NC(=O)C3CCC(C)CC3)CC2)n[nH]1 ZINC000049406848 568449043 /nfs/dbraw/zinc/44/90/43/568449043.db2.gz LMVGTKWYFCHYNS-UHFFFAOYSA-N 0 1 408.546 3.932 50 0 HHAAMN CCc1ccc(NC(=S)N(CCCN2CCN(C)CC2)Cc2ccco2)cc1 ZINC000020107734 568588112 /nfs/dbraw/zinc/58/81/12/568588112.db2.gz CNTJWLOGVYTEBJ-UHFFFAOYSA-N 0 1 400.592 3.679 50 0 HHAAMN COc1ccc(CNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000095276448 568599159 /nfs/dbraw/zinc/59/91/59/568599159.db2.gz CPORXCVYGUQGHC-UHFFFAOYSA-N 0 1 415.537 3.947 50 0 HHAAMN CCCCN(C)C(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000020331639 568599359 /nfs/dbraw/zinc/59/93/59/568599359.db2.gz WZPCGNHFRFGCKD-UHFFFAOYSA-N 0 1 416.547 3.978 50 0 HHAAMN CCC[C@H]1CN(C(=O)c2cnn(-c3ccccn3)c2CC)CCN1Cc1ccccc1 ZINC000095463284 568621973 /nfs/dbraw/zinc/62/19/73/568621973.db2.gz XBWRVUKLPLISAR-NRFANRHFSA-N 0 1 417.557 3.956 50 0 HHAAMN C[C@H](NC(=O)CCC1=Nc2ccccc2S(=O)(=O)N1)C12CC3CC(CC(C3)C1)C2 ZINC000020618516 568638418 /nfs/dbraw/zinc/63/84/18/568638418.db2.gz BJNOSISAHVUYID-HIGJEIRPSA-N 0 1 415.559 3.510 50 0 HHAAMN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C(C)C ZINC000020677605 568639822 /nfs/dbraw/zinc/63/98/22/568639822.db2.gz ADQPQACKNGBYOX-UHFFFAOYSA-N 0 1 421.545 3.626 50 0 HHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2cccc(C)c2)c(C)n1C ZINC000020989987 568655588 /nfs/dbraw/zinc/65/55/88/568655588.db2.gz GUIMWSISQOPGPS-UHFFFAOYSA-N 0 1 403.548 3.767 50 0 HHAAMN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1nnc(-c2ccccc2Br)o1 ZINC000095941463 568662017 /nfs/dbraw/zinc/66/20/17/568662017.db2.gz FLZVHNUJTMWTCM-HIFRSBDPSA-N 0 1 408.296 3.711 50 0 HHAAMN COC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2C1 ZINC000096096314 568688951 /nfs/dbraw/zinc/68/89/51/568688951.db2.gz RHWYQJFUMBCIAF-UHFFFAOYSA-N 0 1 415.298 3.919 50 0 HHAAMN CC(C)Cc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n[nH]2)cc1 ZINC000096221701 568705266 /nfs/dbraw/zinc/70/52/66/568705266.db2.gz ZDYMPTOUDDDDGL-QUCCMNQESA-N 0 1 416.525 3.696 50 0 biogenic HHAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000229428135 568713945 /nfs/dbraw/zinc/71/39/45/568713945.db2.gz BUIGRYTWMJQJQY-FRQCXROJSA-N 0 1 418.559 3.531 50 0 HHAAMN Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324558 568733900 /nfs/dbraw/zinc/73/39/00/568733900.db2.gz NVILSENXWRTOLU-UHFFFAOYSA-N 0 1 423.904 3.924 50 0 HHAAMN CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1 ZINC000096324739 568734239 /nfs/dbraw/zinc/73/42/39/568734239.db2.gz VIIOJMFBGNIOCL-SFHVURJKSA-N 0 1 403.486 3.525 50 0 HHAAMN CCOC(=O)Nc1ccc2c(CN(C)Cc3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000018941813 568743809 /nfs/dbraw/zinc/74/38/09/568743809.db2.gz UYJHDKTYHOEFFZ-UHFFFAOYSA-N 0 1 424.453 3.765 50 0 HHAAMN CCCN1CCN(c2nnc(-n3cccc3CNc3cccc(F)c3)s2)CC1 ZINC000021880802 568757147 /nfs/dbraw/zinc/75/71/47/568757147.db2.gz VTQQBMRQRQKIEZ-UHFFFAOYSA-N 0 1 400.527 3.612 50 0 HHAAMN CN(CCOc1ccc(Cl)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000057270718 568825528 /nfs/dbraw/zinc/82/55/28/568825528.db2.gz ZZXYQVPCNGHOFK-UHFFFAOYSA-N 0 1 422.710 3.621 50 0 HHAAMN Cc1nn(C)c2nc(C)c(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cc12 ZINC000029754311 568828952 /nfs/dbraw/zinc/82/89/52/568828952.db2.gz VNCUEGVMYNPBHM-LJQANCHMSA-N 0 1 411.575 3.850 50 0 HHAAMN Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000005925302 568829807 /nfs/dbraw/zinc/82/98/07/568829807.db2.gz FJHREKRVMRLMFN-KPKJPENVSA-N 0 1 408.483 3.546 50 0 HHAAMN Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000012541858 568848783 /nfs/dbraw/zinc/84/87/83/568848783.db2.gz SGBMDONPUCXUIQ-UHFFFAOYSA-N 0 1 410.451 3.919 50 0 HHAAMN O=C(CSc1nc2ccccc2n1C(F)F)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012544433 568849721 /nfs/dbraw/zinc/84/97/21/568849721.db2.gz KXQNVGIODCSAQP-INIZCTEOSA-N 0 1 416.497 3.914 50 0 HHAAMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)cc1 ZINC000012557200 568856145 /nfs/dbraw/zinc/85/61/45/568856145.db2.gz ZFRPUVOKVULLFI-UHFFFAOYSA-N 0 1 417.575 3.644 50 0 HHAAMN FC(F)(F)c1cccc(OCc2n[nH]c(COc3ncn(-c4ccccc4)n3)n2)c1 ZINC000003125223 568857049 /nfs/dbraw/zinc/85/70/49/568857049.db2.gz PJILWLHOLGILES-UHFFFAOYSA-N 0 1 416.363 3.562 50 0 HHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000031809423 568932220 /nfs/dbraw/zinc/93/22/20/568932220.db2.gz VRDZAWMHCCGQIO-SECBINFHSA-N 0 1 414.256 3.628 50 0 HHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(Br)c1 ZINC000012776666 568955156 /nfs/dbraw/zinc/95/51/56/568955156.db2.gz QAFDCFPHXYZCNQ-UHFFFAOYSA-N 0 1 418.266 3.947 50 0 HHAAMN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c(C)c1 ZINC000004270519 568956819 /nfs/dbraw/zinc/95/68/19/568956819.db2.gz GJOPDMVVNHJTKU-UHFFFAOYSA-N 0 1 410.499 3.763 50 0 HHAAMN CN1CCN(c2ccccc2NC(=O)c2noc3c2CSc2ccccc2-3)CC1 ZINC000015673990 568963025 /nfs/dbraw/zinc/96/30/25/568963025.db2.gz ZFHRDLUVEGPBHS-UHFFFAOYSA-N 0 1 406.511 3.951 50 0 HHAAMN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000008053159 568970827 /nfs/dbraw/zinc/97/08/27/568970827.db2.gz KJIBCWKTKQHDCW-UHFFFAOYSA-N 0 1 402.785 3.740 50 0 HHAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(CCCO)C3=O)c1 ZINC000005343437 568985945 /nfs/dbraw/zinc/98/59/45/568985945.db2.gz WHVAZQAQJHDDDO-FQEVSTJZSA-N 0 1 411.889 3.980 50 0 HHAAMN COc1ccc(-c2noc(NCCCN3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000015770787 568997897 /nfs/dbraw/zinc/99/78/97/568997897.db2.gz WQQXNONIQQZSOK-UHFFFAOYSA-N 0 1 411.481 3.509 50 0 HHAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787276 569007761 /nfs/dbraw/zinc/00/77/61/569007761.db2.gz WOLMUUARFJXJGB-NRFANRHFSA-N 0 1 413.949 3.855 50 0 HHAAMN Cc1nn(-c2ccc(C)cc2C)nc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000026567507 569034393 /nfs/dbraw/zinc/03/43/93/569034393.db2.gz VXCPBKOVOJJIRL-UHFFFAOYSA-N 0 1 418.545 3.505 50 0 HHAAMN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000035539438 569043660 /nfs/dbraw/zinc/04/36/60/569043660.db2.gz DVUNQHRCYDYVDV-UHFFFAOYSA-N 0 1 419.484 3.556 50 0 HHAAMN COCCN1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc21 ZINC000035588244 569046176 /nfs/dbraw/zinc/04/61/76/569046176.db2.gz FTLYTGQGELHVNL-UHFFFAOYSA-N 0 1 404.532 3.512 50 0 HHAAMN Cc1cccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(Br)cc2)c1 ZINC000006422285 569048435 /nfs/dbraw/zinc/04/84/35/569048435.db2.gz KKZYMSRBFZASAZ-UHFFFAOYSA-N 0 1 403.305 3.931 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000006623255 569075092 /nfs/dbraw/zinc/07/50/92/569075092.db2.gz RKWBLNPKNOXKLJ-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644055 569076251 /nfs/dbraw/zinc/07/62/51/569076251.db2.gz QBRFUQOQKDMYFZ-UXHICEINSA-N 0 1 412.603 3.786 50 0 HHAAMN O[C@@H](COc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102557 569092105 /nfs/dbraw/zinc/09/21/05/569092105.db2.gz QSXKVNGHHPSOIW-OAQYLSRUSA-N 0 1 409.457 3.997 50 0 HHAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145901 569098438 /nfs/dbraw/zinc/09/84/38/569098438.db2.gz FIKUOGRGTTXSKB-VXKWHMMOSA-N 0 1 400.494 3.607 50 0 HHAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000006744619 569107426 /nfs/dbraw/zinc/10/74/26/569107426.db2.gz CFXWCVUCLKVAEH-HSZRJFAPSA-N 0 1 412.449 3.931 50 0 HHAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000006752767 569111358 /nfs/dbraw/zinc/11/13/58/569111358.db2.gz KEHWFWYALYTGSQ-GAJHUEQPSA-N 0 1 419.481 3.905 50 0 HHAAMN CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169681976 569133908 /nfs/dbraw/zinc/13/39/08/569133908.db2.gz PCQKJBXXDHGCIA-FPOVZHCZSA-N 0 1 417.475 3.705 50 0 HHAAMN Cc1nc(-c2ccccc2)nc(N2CCN(CC(C)(C)O)CC2)c1Cc1ccccc1 ZINC000036316571 569135174 /nfs/dbraw/zinc/13/51/74/569135174.db2.gz WAKVBWZNOMZMBA-UHFFFAOYSA-N 0 1 416.569 3.936 50 0 HHAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)c1 ZINC000064979418 569140340 /nfs/dbraw/zinc/14/03/40/569140340.db2.gz ZWURDJVTDKXKJK-UHFFFAOYSA-N 0 1 416.455 3.636 50 0 HHAAMN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@@H](C)O)CC2)c1 ZINC000036340578 569141608 /nfs/dbraw/zinc/14/16/08/569141608.db2.gz CQKKNCMBIQKOPG-HXUWFJFHSA-N 0 1 416.569 3.854 50 0 HHAAMN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@@H](C)O)CC2)cc1 ZINC000036340523 569141639 /nfs/dbraw/zinc/14/16/39/569141639.db2.gz PUOVKHBGDUTWFB-HXUWFJFHSA-N 0 1 416.569 3.854 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036343702 569142367 /nfs/dbraw/zinc/14/23/67/569142367.db2.gz NOYLKXCIBZLHJI-QFIPXVFZSA-N 0 1 410.949 3.655 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036343536 569143069 /nfs/dbraw/zinc/14/30/69/569143069.db2.gz FBETVJZYXYHBBY-RUZDIDTESA-N 0 1 418.585 3.927 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006935220 569186086 /nfs/dbraw/zinc/18/60/86/569186086.db2.gz MOVUOXFQSPBHDZ-OAHLLOKOSA-N 0 1 414.527 3.964 50 0 HHAAMN c1ccc(CN2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)cc1 ZINC000065258242 569210116 /nfs/dbraw/zinc/21/01/16/569210116.db2.gz PDWWJQWJCNQERB-UHFFFAOYSA-N 0 1 412.497 3.879 50 0 HHAAMN CCc1cc(=O)n2nc(N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)sc2n1 ZINC000079061788 569426466 /nfs/dbraw/zinc/42/64/66/569426466.db2.gz DTQCPJIIJOSGHP-CQSZACIVSA-N 0 1 400.895 3.585 50 0 HHAAMN CC(C)c1nc2ccc(NC(=O)CCCCCn3nnc4ccccc4c3=O)cc2[nH]1 ZINC000079502220 569433045 /nfs/dbraw/zinc/43/30/45/569433045.db2.gz JWKXCNRAYWPGQP-UHFFFAOYSA-N 0 1 418.501 3.990 50 0 HHAAMN COC(=O)C1C(CSc2nc3ccccc3[nH]2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008816193 571121456 /nfs/dbraw/zinc/12/14/56/571121456.db2.gz UYTKEQSBGQHTII-IBGZPJMESA-N 0 1 422.510 3.753 50 0 HHAAMN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000008831318 571122712 /nfs/dbraw/zinc/12/27/12/571122712.db2.gz JHUPVXLRGRANSC-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1C ZINC000008901316 571144610 /nfs/dbraw/zinc/14/46/10/571144610.db2.gz YHDXFRQXYIGQSG-LJQANCHMSA-N 0 1 408.589 3.961 50 0 HHAAMN CN(Cc1ccccc1Br)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000040104075 571164937 /nfs/dbraw/zinc/16/49/37/571164937.db2.gz LAIKCWNVRASXIR-UHFFFAOYSA-N 0 1 417.351 3.865 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)N2CC[C@@H](Oc3cccc4cccnc43)C2)n[nH]1 ZINC000244969075 571211017 /nfs/dbraw/zinc/21/10/17/571211017.db2.gz GXEPQKCCCZISBR-QGZVFWFLSA-N 0 1 414.465 3.927 50 0 HHAAMN COC(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000009604202 571273036 /nfs/dbraw/zinc/27/30/36/571273036.db2.gz REOYSBZWSNKQPZ-UHFFFAOYSA-N 0 1 419.453 3.570 50 0 HHAAMN CC[C@@H](NC(=O)c1ccc(-n2cc(NC(C)=O)cn2)cc1)c1nc2ccc(C)cc2[nH]1 ZINC000011784677 962190369 /nfs/dbraw/zinc/19/03/69/962190369.db2.gz BGWNXDMENOTJKI-LJQANCHMSA-N 0 1 416.485 3.897 50 0 HHAAMN CC[C@H](NC(=O)c1ccc(-n2cc(NC(C)=O)cn2)cc1)c1nc2ccc(C)cc2[nH]1 ZINC000011784678 962191139 /nfs/dbraw/zinc/19/11/39/962191139.db2.gz BGWNXDMENOTJKI-IBGZPJMESA-N 0 1 416.485 3.897 50 0 HHAAMN Cc1nc2sccn2c1CN1CCC2(C[C@@H]2C(=O)N2CCc3ccccc3C2)CC1 ZINC000012246425 962256967 /nfs/dbraw/zinc/25/69/67/962256967.db2.gz WFCKEDONVDQWJS-HXUWFJFHSA-N 0 1 420.582 3.891 50 0 HHAAMN O=C(CCc1n[nH]c2c1CCCC2)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012316693 962271057 /nfs/dbraw/zinc/27/10/57/962271057.db2.gz CZILDDLRPFCOLN-GOSISDBHSA-N 0 1 407.493 3.740 50 0 HHAAMN C[C@@H]1CN(CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000012456615 962283663 /nfs/dbraw/zinc/28/36/63/962283663.db2.gz GEAJAEVKGHTLRC-OXQOHEQNSA-N 0 1 402.922 3.505 50 0 HHAAMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000096941488 969058321 /nfs/dbraw/zinc/05/83/21/969058321.db2.gz MYYDLZLBSMKMRH-HJWRWDBZSA-N 0 1 407.499 3.514 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)/C=C\c1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000096943706 969059237 /nfs/dbraw/zinc/05/92/37/969059237.db2.gz SQSGALJBOWSLFV-OILJVOJPSA-N 0 1 416.525 3.847 50 0 HHAAMN Cc1cnc(CO[C@@H]2CCCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)C2)n1C ZINC000257176403 970617098 /nfs/dbraw/zinc/61/70/98/970617098.db2.gz SPTKUCPRJNRYAB-LJQANCHMSA-N 0 1 407.518 3.557 50 0 HHAAMN Cc1nnc([C@@H]2CC3(CN2CC(C)C)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC3)o1 ZINC000257192988 970624864 /nfs/dbraw/zinc/62/48/64/970624864.db2.gz WVOSKKDVIVMUOG-FQEVSTJZSA-N 0 1 412.534 3.761 50 0 HHAAMN Cc1cnc(CC2CCN(C(=O)Cc3cccnc3)CC2)n1Cc1ccc(F)cc1 ZINC000257192357 970624984 /nfs/dbraw/zinc/62/49/84/970624984.db2.gz UDVNNGBUQLPYLP-UHFFFAOYSA-N 0 1 406.505 3.798 50 0 HHAAMN Fc1ccc(N2CCN(CCCNC(=S)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000002727756 132257374 /nfs/dbraw/zinc/25/73/74/132257374.db2.gz UZFMYKUQBSHIQB-UHFFFAOYSA-N 0 1 406.958 3.978 50 0 HHAAMN Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007251290 132323141 /nfs/dbraw/zinc/32/31/41/132323141.db2.gz UYZHSLJMORGCAP-FQEVSTJZSA-N 0 1 420.479 3.530 50 0 HHAAMN Cc1ccc2nc(SCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)[nH]c2c1 ZINC000007901115 132326155 /nfs/dbraw/zinc/32/61/55/132326155.db2.gz UWYRVGWUNHRZAO-UHFFFAOYSA-N 0 1 415.540 3.559 50 0 HHAAMN Cc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)ccc1N1CCN(C)CC1 ZINC000012537281 132362307 /nfs/dbraw/zinc/36/23/07/132362307.db2.gz WOGCKSUVBQRGOZ-JOCHJYFZSA-N 0 1 409.530 3.557 50 0 HHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000012539474 132362557 /nfs/dbraw/zinc/36/25/57/132362557.db2.gz HJKCAXUVYGCOCE-UHFFFAOYSA-N 0 1 412.292 3.902 50 0 HHAAMN CC[C@@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000032948600 522170760 /nfs/dbraw/zinc/17/07/60/522170760.db2.gz KLIGDERRLITVIW-LLVKDONJSA-N 0 1 420.585 3.820 50 0 HHAAMN CCc1[nH]c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1C(=O)OC ZINC000032820802 523657398 /nfs/dbraw/zinc/65/73/98/523657398.db2.gz DRKAMBDVBYSREK-UHFFFAOYSA-N 0 1 417.937 3.720 50 0 HHAAMN COc1ccccc1-c1n[nH]c(NC(=O)c2cnc(SC)n2-c2ccccc2)n1 ZINC000032913569 524281473 /nfs/dbraw/zinc/28/14/73/524281473.db2.gz XZEMIDIKMJMIDC-UHFFFAOYSA-N 0 1 406.471 3.640 50 0 HHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598579 524558875 /nfs/dbraw/zinc/55/88/75/524558875.db2.gz WMLJKHBEZNJQJG-OAQYLSRUSA-N 0 1 413.537 3.630 50 0 HHAAMN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000032873762 525253748 /nfs/dbraw/zinc/25/37/48/525253748.db2.gz WOZKEAJRAMDIOZ-KRWDZBQOSA-N 0 1 409.511 3.906 50 0 HHAAMN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[nH]c(=S)[nH]c1=S ZINC000001839742 534944219 /nfs/dbraw/zinc/94/42/19/534944219.db2.gz CRXMKCAMDFYLMJ-UHFFFAOYSA-N 0 1 420.585 3.505 50 0 HHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)CC ZINC000012180382 535712171 /nfs/dbraw/zinc/71/21/71/535712171.db2.gz BNEKIOGRCLVZIS-UHFFFAOYSA-N 0 1 402.516 3.884 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 ZINC000000652083 557039040 /nfs/dbraw/zinc/03/90/40/557039040.db2.gz STLXVYKRYLZSGP-UHFFFAOYSA-N 0 1 416.890 3.800 50 0 HHAAMN COc1ccc(-c2n[nH]c(S[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)n2)cc1 ZINC000002324954 557337462 /nfs/dbraw/zinc/33/74/62/557337462.db2.gz RXNZZGHMDZMJRB-HNNXBMFYSA-N 0 1 414.874 3.558 50 0 HHAAMN CCOC(=O)CCCCCC(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1 ZINC000002515266 557354074 /nfs/dbraw/zinc/35/40/74/557354074.db2.gz SZWISXONBLNQSA-UHFFFAOYSA-N 0 1 403.519 3.722 50 0 HHAAMN CN(C)CCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000002866639 557412470 /nfs/dbraw/zinc/41/24/70/557412470.db2.gz WCLDBLCDGDYBQM-UHFFFAOYSA-N 0 1 403.479 3.677 50 0 HHAAMN CCCC(=O)N(CCC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1 ZINC000034831250 557466669 /nfs/dbraw/zinc/46/66/69/557466669.db2.gz OBVKBHOEPOHYQS-UHFFFAOYSA-N 0 1 415.557 3.610 50 0 HHAAMN CSCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000004549967 557565851 /nfs/dbraw/zinc/56/58/51/557565851.db2.gz NCJMEKZCQDIVLX-FQEVSTJZSA-N 0 1 412.511 3.800 50 0 HHAAMN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000004809400 557599674 /nfs/dbraw/zinc/59/96/74/557599674.db2.gz NLFQQAKEVDRIIV-UHFFFAOYSA-N 0 1 410.451 3.511 50 0 HHAAMN CCOC(=O)C1C(CSCc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000004820632 557602710 /nfs/dbraw/zinc/60/27/10/557602710.db2.gz JYCPSHLLSGGTMH-HXUWFJFHSA-N 0 1 412.511 3.800 50 0 HHAAMN CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCN(Cc3ccccc3)CC1)n2C ZINC000022804515 557824763 /nfs/dbraw/zinc/82/47/63/557824763.db2.gz AIARFMWFMFWHLC-UHFFFAOYSA-N 0 1 419.573 3.876 50 0 HHAAMN COc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011843689 558288468 /nfs/dbraw/zinc/28/84/68/558288468.db2.gz WZHHYVUZZVLARD-HSZRJFAPSA-N 0 1 403.494 3.669 50 0 HHAAMN Cc1nn(C)cc1CNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000019839392 558293644 /nfs/dbraw/zinc/29/36/44/558293644.db2.gz IJYNGEZINCNRER-UHFFFAOYSA-N 0 1 401.470 3.600 50 0 HHAAMN COc1ccc(CN2CCC3(C[C@H]3C(=O)NCCCc3ccccc3)CC2)cc1O ZINC000012155253 558340069 /nfs/dbraw/zinc/34/00/69/558340069.db2.gz XUYKVBYVNQAOLX-NRFANRHFSA-N 0 1 408.542 3.752 50 0 HHAAMN COc1ccc(CCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1OC ZINC000020169534 558343340 /nfs/dbraw/zinc/34/33/40/558343340.db2.gz LIZOPZXZEASACT-UHFFFAOYSA-N 0 1 416.949 3.928 50 0 HHAAMN Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1C ZINC000012197225 558350358 /nfs/dbraw/zinc/35/03/58/558350358.db2.gz CUVIFFLGVUQQLZ-SFHVURJKSA-N 0 1 405.502 3.767 50 0 HHAAMN C/C(=C\c1ccco1)CN1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000012205230 558352470 /nfs/dbraw/zinc/35/24/70/558352470.db2.gz BBUJROGRWXXRNN-KNTRCKAVSA-N 0 1 410.514 3.699 50 0 HHAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000012299334 558369180 /nfs/dbraw/zinc/36/91/80/558369180.db2.gz IYKQQVYKRGEGBZ-OAQYLSRUSA-N 0 1 416.522 3.516 50 0 HHAAMN COC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020500981 558380798 /nfs/dbraw/zinc/38/07/98/558380798.db2.gz QGWPETSUOQEIPU-HXUWFJFHSA-N 0 1 413.905 3.528 50 0 HHAAMN COc1ccccc1-n1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cn1 ZINC000012432333 558406687 /nfs/dbraw/zinc/40/66/87/558406687.db2.gz NLHBUPBEXFHSBY-LJQANCHMSA-N 0 1 400.486 3.629 50 0 HHAAMN COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4OC)N4CCC[C@@]34C2=O)c1 ZINC000012439981 558411479 /nfs/dbraw/zinc/41/14/79/558411479.db2.gz FEDKGUMDQKFHEE-PZGSVQSZSA-N 0 1 422.525 3.650 50 0 HHAAMN c1ccc(CCc2noc(CN3CCN([C@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020784117 558413573 /nfs/dbraw/zinc/41/35/73/558413573.db2.gz RBCYSMKKPFYTLJ-QHCPKHFHSA-N 0 1 402.542 3.530 50 0 HHAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C)C1=O ZINC000004345229 558427294 /nfs/dbraw/zinc/42/72/94/558427294.db2.gz GJHROHMMTCZNCU-STZFKDTASA-N 0 1 416.481 3.932 50 0 HHAAMN Cc1ccc(-n2c(Cc3ccccc3)nn(CN3CCN(C)CC3)c2=S)c(C)c1 ZINC000022039130 558459538 /nfs/dbraw/zinc/45/95/38/558459538.db2.gz GIDGTYMMMVILHF-UHFFFAOYSA-N 0 1 407.587 3.816 50 0 HHAAMN C[C@H](NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000022771789 558508746 /nfs/dbraw/zinc/50/87/46/558508746.db2.gz IYOZSEDUZYOMCQ-FQEVSTJZSA-N 0 1 403.526 3.864 50 0 HHAAMN c1ccc(C(c2ccccc2)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000022785927 558510869 /nfs/dbraw/zinc/51/08/69/558510869.db2.gz OJAJOHPTENUBSP-UHFFFAOYSA-N 0 1 410.525 3.570 50 0 HHAAMN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)c(C)cc3O)n[nH]1)CCCC2 ZINC000013121838 558517332 /nfs/dbraw/zinc/51/73/32/558517332.db2.gz MGDYLMVQQZCOJC-UHFFFAOYSA-N 0 1 424.526 3.951 50 0 HHAAMN COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cc(OC)ccc1OC ZINC000023201811 558542617 /nfs/dbraw/zinc/54/26/17/558542617.db2.gz YAYZGLTWTRGMDC-UHFFFAOYSA-N 0 1 411.458 3.555 50 0 HHAAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000013594958 558546936 /nfs/dbraw/zinc/54/69/36/558546936.db2.gz QHSQMXUGWJUSOH-IBGZPJMESA-N 0 1 405.498 3.984 50 0 HHAAMN COc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc(Cl)c1OC ZINC000023360481 558552072 /nfs/dbraw/zinc/55/20/72/558552072.db2.gz BTHCLNVNFNWBHX-FQEVSTJZSA-N 0 1 418.965 3.734 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000023690857 558568269 /nfs/dbraw/zinc/56/82/69/558568269.db2.gz WMNPGRUFYAEWTO-UHFFFAOYSA-N 0 1 424.526 3.906 50 0 HHAAMN Cc1nc(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)n(C2CCCCC2)c1C ZINC000024115561 558589974 /nfs/dbraw/zinc/58/99/74/558589974.db2.gz CVOWZLFLCVAFAT-FQEVSTJZSA-N 0 1 422.639 3.570 50 0 HHAAMN Cc1[nH]c(SCC(=O)NCC(=O)Nc2c(C)cccc2C)nc1Cc1ccccc1 ZINC000004485592 558603774 /nfs/dbraw/zinc/60/37/74/558603774.db2.gz HWNMYXHUOSDYQK-UHFFFAOYSA-N 0 1 422.554 3.773 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ncccc2C)ccc1C ZINC000024982360 558624323 /nfs/dbraw/zinc/62/43/23/558624323.db2.gz LPZNKYJGKKZSRD-UHFFFAOYSA-N 0 1 411.483 3.760 50 0 HHAAMN COCCNC(=O)C1CCN([C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000025047108 558628190 /nfs/dbraw/zinc/62/81/90/558628190.db2.gz FSWTYUUOSAHRHK-HSZRJFAPSA-N 0 1 419.525 3.567 50 0 HHAAMN Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049051 558628426 /nfs/dbraw/zinc/62/84/26/558628426.db2.gz ZPNJQMMHMHYALU-VBKZILBWSA-N 0 1 406.511 3.932 50 0 HHAAMN Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049039 558628550 /nfs/dbraw/zinc/62/85/50/558628550.db2.gz ZPNJQMMHMHYALU-XOBRGWDASA-N 0 1 406.511 3.932 50 0 HHAAMN Cc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000025332465 558638738 /nfs/dbraw/zinc/63/87/38/558638738.db2.gz PVVJPSVXBPBHNQ-MRXNPFEDSA-N 0 1 423.464 3.689 50 0 HHAAMN CN(C)[C@@H](CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccsc1 ZINC000025816363 558650705 /nfs/dbraw/zinc/65/07/05/558650705.db2.gz PAUQQDMWWAXKKS-FQEVSTJZSA-N 0 1 423.517 3.896 50 0 HHAAMN CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)cnc21 ZINC000014711767 558664698 /nfs/dbraw/zinc/66/46/98/558664698.db2.gz FRJXGPCSXYCBHY-UHFFFAOYSA-N 0 1 412.925 3.670 50 0 HHAAMN CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000014826149 558674289 /nfs/dbraw/zinc/67/42/89/558674289.db2.gz ZUBFZUDFSNMFDR-UHFFFAOYSA-N 0 1 410.499 3.709 50 0 HHAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000014950998 558680950 /nfs/dbraw/zinc/68/09/50/558680950.db2.gz GMWCLEFCBFKAJM-UHFFFAOYSA-N 0 1 410.514 3.680 50 0 HHAAMN COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2F)N2CCCCC2)cc1 ZINC000027794323 558683061 /nfs/dbraw/zinc/68/30/61/558683061.db2.gz KUGQEVHCUDJCHY-UWJYYQICSA-N 0 1 400.494 3.945 50 0 HHAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(C)nn(CC)c2C)CC1 ZINC000014966215 558685695 /nfs/dbraw/zinc/68/56/95/558685695.db2.gz QZSWHDKRDRNYHH-UHFFFAOYSA-N 0 1 413.562 3.916 50 0 HHAAMN COc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F ZINC000015067777 558710426 /nfs/dbraw/zinc/71/04/26/558710426.db2.gz KEKNIEFKMHPULN-GOSISDBHSA-N 0 1 408.477 3.871 50 0 HHAAMN C[C@H](c1ccon1)N(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000015080316 558718697 /nfs/dbraw/zinc/71/86/97/558718697.db2.gz MYQRBUQJIGTNMM-GOSISDBHSA-N 0 1 420.513 3.946 50 0 HHAAMN COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)cc1 ZINC000015647215 558747378 /nfs/dbraw/zinc/74/73/78/558747378.db2.gz XQIQSRQOMYGLCK-NRFANRHFSA-N 0 1 402.922 3.989 50 0 HHAAMN CCCCN(C)c1ncc(Cl)c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)n1 ZINC000072303022 558755656 /nfs/dbraw/zinc/75/56/56/558755656.db2.gz NFKXAMWZEHFBBE-UHFFFAOYSA-N 0 1 416.913 3.538 50 0 HHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(Br)cc1 ZINC000016202846 558778426 /nfs/dbraw/zinc/77/84/26/558778426.db2.gz WAZYJXYPFIUCRN-UHFFFAOYSA-N 0 1 418.266 3.947 50 0 HHAAMN CNC(=O)c1ccccc1Sc1ccc2c(c1)n[nH]c2I ZINC000038215916 558811093 /nfs/dbraw/zinc/81/10/93/558811093.db2.gz VHZLHFNNNDGPLF-UHFFFAOYSA-N 0 1 409.252 3.678 50 0 HHAAMN CCCCc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000017087694 558816473 /nfs/dbraw/zinc/81/64/73/558816473.db2.gz KWNIDUBNMXXTJN-UHFFFAOYSA-N 0 1 407.488 3.634 50 0 HHAAMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000017115228 558822962 /nfs/dbraw/zinc/82/29/62/558822962.db2.gz HHIKEXDNCWBHKW-UHFFFAOYSA-N 0 1 418.906 3.671 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc32)ccc1C ZINC000018286225 558835462 /nfs/dbraw/zinc/83/54/62/558835462.db2.gz FQEILCHYQFZFDF-UHFFFAOYSA-N 0 1 421.478 3.708 50 0 HHAAMN Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000033078173 558867741 /nfs/dbraw/zinc/86/77/41/558867741.db2.gz QTGCRLUWGFGZGT-UHFFFAOYSA-N 0 1 401.467 3.535 50 0 HHAAMN O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1ccccc1NCc1cccs1 ZINC000055309717 558878874 /nfs/dbraw/zinc/87/88/74/558878874.db2.gz AQQXOKZXSHGTIN-UHFFFAOYSA-N 0 1 404.499 3.513 50 0 HHAAMN O=C(NCCc1n[nH]c(-c2cccnc2)n1)c1ccccc1NCc1cccs1 ZINC000055309717 558878875 /nfs/dbraw/zinc/87/88/75/558878875.db2.gz AQQXOKZXSHGTIN-UHFFFAOYSA-N 0 1 404.499 3.513 50 0 HHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038467 558896533 /nfs/dbraw/zinc/89/65/33/558896533.db2.gz DULLNMIAXAEWIK-HXUWFJFHSA-N 0 1 413.905 3.643 50 0 HHAAMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000058162664 558906265 /nfs/dbraw/zinc/90/62/65/558906265.db2.gz JTJIHFYYYZFXKE-UHFFFAOYSA-N 0 1 424.347 3.898 50 0 HHAAMN Cc1nnc(SCC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000058315115 558919248 /nfs/dbraw/zinc/91/92/48/558919248.db2.gz QIASUJJQLFSFKB-SFHVURJKSA-N 0 1 402.545 3.624 50 0 HHAAMN CCc1c(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)cnn1-c1ccc(C)cc1 ZINC000058327465 558919799 /nfs/dbraw/zinc/91/97/99/558919799.db2.gz FZFYJRQSPATLBD-UHFFFAOYSA-N 0 1 404.518 3.758 50 0 HHAAMN Cc1ccc(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c(Cl)c1 ZINC000072119281 558927957 /nfs/dbraw/zinc/92/79/57/558927957.db2.gz RZFWCRCBABCMRQ-UHFFFAOYSA-N 0 1 402.930 3.971 50 0 HHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000064053455 558961987 /nfs/dbraw/zinc/96/19/87/558961987.db2.gz CVSYFVDJHUZTBI-OAQYLSRUSA-N 0 1 408.546 3.822 50 0 HHAAMN Cc1cc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c2ccc(F)cc2n1 ZINC000072473858 558983598 /nfs/dbraw/zinc/98/35/98/558983598.db2.gz RQAROHPRKHFYMI-OAQYLSRUSA-N 0 1 403.501 3.998 50 0 HHAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000022025147 558985016 /nfs/dbraw/zinc/98/50/16/558985016.db2.gz MRZIBVNMCGQSKY-SFHVURJKSA-N 0 1 421.570 3.605 50 0 HHAAMN COc1ccc(-c2noc(-c3cc(N4CCN(C)CC4)nc4ccccc43)n2)cc1 ZINC000033282534 559045045 /nfs/dbraw/zinc/04/50/45/559045045.db2.gz SQYCOBABDAWXJZ-UHFFFAOYSA-N 0 1 401.470 3.712 50 0 HHAAMN Cc1nc(-c2cc(S(=O)(=O)NCCN3CCC(C)CC3)c(C)s2)sc1C ZINC000033290108 559047050 /nfs/dbraw/zinc/04/70/50/559047050.db2.gz ULSGJIXWBTVQMO-UHFFFAOYSA-N 0 1 413.634 3.807 50 0 HHAAMN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000004928786 559208531 /nfs/dbraw/zinc/20/85/31/559208531.db2.gz ZENAWFLASUIGAP-QHCPKHFHSA-N 0 1 414.571 3.808 50 0 HHAAMN Cc1ccccc1C(=O)c1cccn1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000005142994 559252071 /nfs/dbraw/zinc/25/20/71/559252071.db2.gz BYLITMJORHQUMW-UHFFFAOYSA-N 0 1 415.537 3.808 50 0 HHAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 ZINC000005330146 560565718 /nfs/dbraw/zinc/56/57/18/560565718.db2.gz OTPFMUNJGURZFL-UHFFFAOYSA-N 0 1 402.516 3.938 50 0 HHAAMN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3O)n[nH]1)CCCC2 ZINC000005462755 560591871 /nfs/dbraw/zinc/59/18/71/560591871.db2.gz CUZRQSIUMCIFKU-UHFFFAOYSA-N 0 1 410.499 3.725 50 0 HHAAMN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCCC[C@@H]1CC ZINC000005478286 560595146 /nfs/dbraw/zinc/59/51/46/560595146.db2.gz QRVLGIRAXSUGRT-HNNXBMFYSA-N 0 1 401.507 3.946 50 0 HHAAMN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(=O)N1CCCCC1 ZINC000015953596 560650529 /nfs/dbraw/zinc/65/05/29/560650529.db2.gz QIDPWIKJFMARTD-NKKJXINNSA-N 0 1 400.563 3.766 50 0 biogenic HHAAMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)O[C@H](C)C2 ZINC000017520569 560717683 /nfs/dbraw/zinc/71/76/83/560717683.db2.gz GHMABNGTTSZPJR-LLVKDONJSA-N 0 1 412.305 3.972 50 0 HHAAMN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101077781 560771306 /nfs/dbraw/zinc/77/13/06/560771306.db2.gz ODAQEXPEXRLXOF-BDTNDASRSA-N 0 1 400.434 3.746 50 0 HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2ccccc2s1 ZINC000018113956 560775939 /nfs/dbraw/zinc/77/59/39/560775939.db2.gz UUADYXACYFCJSE-UHFFFAOYSA-N 0 1 410.480 3.744 50 0 HHAAMN CN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214050 560790049 /nfs/dbraw/zinc/79/00/49/560790049.db2.gz VIDBSZDPCHAWCY-UHFFFAOYSA-N 0 1 406.983 3.770 50 0 HHAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102706413 560820670 /nfs/dbraw/zinc/82/06/70/560820670.db2.gz XIRGTAFIESYEAK-BHDDXSALSA-N 0 1 418.424 3.885 50 0 HHAAMN COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318341 560858741 /nfs/dbraw/zinc/85/87/41/560858741.db2.gz BZQAOKDKOIFBGQ-QHCPKHFHSA-N 0 1 417.509 3.565 50 0 HHAAMN CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983670 560858908 /nfs/dbraw/zinc/85/89/08/560858908.db2.gz LPXHQSOXPKUHHD-NHCUHLMSSA-N 0 1 420.912 3.872 50 0 HHAAMN CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012226892 560894985 /nfs/dbraw/zinc/89/49/85/560894985.db2.gz NNSXAGXBZFYXDW-UHFFFAOYSA-N 0 1 423.947 3.991 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1F ZINC000048287589 568434686 /nfs/dbraw/zinc/43/46/86/568434686.db2.gz PLPBJSAGRYZIEN-HXUWFJFHSA-N 0 1 406.523 3.586 50 0 HHAAMN Cc1ccc(OCCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000048289091 568434967 /nfs/dbraw/zinc/43/49/67/568434967.db2.gz KAWROSRJAQBXGN-NHCUHLMSSA-N 0 1 410.558 3.998 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3n2)CC1 ZINC000020108655 568588524 /nfs/dbraw/zinc/58/85/24/568588524.db2.gz XHQZXOJAXGHTPJ-UHFFFAOYSA-N 0 1 418.497 3.666 50 0 HHAAMN CN1CCN(C[C@H](NC(=O)NCc2ccc3ccccc3c2)c2ccccc2)CC1 ZINC000095351222 568600953 /nfs/dbraw/zinc/60/09/53/568600953.db2.gz QWLMIMULPNMNTR-DEOSSOPVSA-N 0 1 402.542 3.628 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(C)cc2)c(C)n1C ZINC000021030526 568659193 /nfs/dbraw/zinc/65/91/93/568659193.db2.gz VTOGCTBNMPQWEY-UHFFFAOYSA-N 0 1 403.548 3.623 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c(C)n1C ZINC000021030484 568659280 /nfs/dbraw/zinc/65/92/80/568659280.db2.gz DOGUFFVAMLCICC-UHFFFAOYSA-N 0 1 421.538 3.762 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)n[nH]2)cc1 ZINC000095943387 568662524 /nfs/dbraw/zinc/66/25/24/568662524.db2.gz NFCYBALOLZVVBG-HSZRJFAPSA-N 0 1 410.518 3.858 50 0 HHAAMN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 ZINC000096183702 568702937 /nfs/dbraw/zinc/70/29/37/568702937.db2.gz HCGJYERKXUZRSL-SANMLTNESA-N 0 1 416.569 3.903 50 0 HHAAMN CCN1CCN(Cc2nc3cc(NC(=O)c4ccccc4Cl)ccc3n2C)CC1 ZINC000021523907 568708865 /nfs/dbraw/zinc/70/88/65/568708865.db2.gz IQABCOUPZFRAFT-UHFFFAOYSA-N 0 1 411.937 3.617 50 0 HHAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000005782433 568718801 /nfs/dbraw/zinc/71/88/01/568718801.db2.gz AVMYWSYJUYRMHQ-LJQANCHMSA-N 0 1 416.861 3.950 50 0 HHAAMN Fc1cc(F)cc(-c2noc3ncnc(N4CCN(Cc5ccccc5)CC4)c32)c1 ZINC000021714879 568748861 /nfs/dbraw/zinc/74/88/61/568748861.db2.gz UFWRLSLUADAFDV-UHFFFAOYSA-N 0 1 407.424 3.885 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)n[nH]2)c(C)c1 ZINC000096400022 568749186 /nfs/dbraw/zinc/74/91/86/568749186.db2.gz UZAVSGJXFPZPPK-UHFFFAOYSA-N 0 1 422.554 3.719 50 0 HHAAMN Cc1ccccc1-c1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)n[nH]1 ZINC000096400029 568749238 /nfs/dbraw/zinc/74/92/38/568749238.db2.gz QGRBSOFXTPNJEG-UHFFFAOYSA-N 0 1 406.461 3.559 50 0 HHAAMN Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4C)[nH]n3)CC2)cc1 ZINC000096400030 568749309 /nfs/dbraw/zinc/74/93/09/568749309.db2.gz ZCGGKEBRQWCBKD-UHFFFAOYSA-N 0 1 402.498 3.728 50 0 HHAAMN CN1CCN(c2nc(-c3cccc(Br)c3)nnc2-c2ccccc2)CC1 ZINC000096581357 568762456 /nfs/dbraw/zinc/76/24/56/568762456.db2.gz QLNOIXGRWWJUQV-UHFFFAOYSA-N 0 1 410.319 3.720 50 0 HHAAMN CCOC(=O)C1C(CN[C@@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057270677 568825430 /nfs/dbraw/zinc/82/54/30/568825430.db2.gz PAKCDGZQQXTOBB-VBKZILBWSA-N 0 1 413.905 3.862 50 0 HHAAMN COc1cccc(CN(CC(=O)Nc2cc(F)ccc2F)C2CCC(O)CC2)c1 ZINC000057265608 568825447 /nfs/dbraw/zinc/82/54/47/568825447.db2.gz IJAKBJXEMXCFOD-UHFFFAOYSA-N 0 1 404.457 3.718 50 0 HHAAMN C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000012557173 568856121 /nfs/dbraw/zinc/85/61/21/568856121.db2.gz LCJPAFOVKNWAJJ-QFIPXVFZSA-N 0 1 423.538 3.520 50 0 HHAAMN CCOc1cc2c(cc1NS(=O)(=O)c1cccc(Br)c1)O[C@H](C)C2 ZINC000012560676 568858063 /nfs/dbraw/zinc/85/80/63/568858063.db2.gz HKFPGRNVNBMECG-LLVKDONJSA-N 0 1 412.305 3.972 50 0 HHAAMN COc1ccc(N2C(=O)C[C@@H](c3c(C)[nH]n(-c4cccc(Cl)c4)c3=O)C2=O)cc1 ZINC000299804145 568876906 /nfs/dbraw/zinc/87/69/06/568876906.db2.gz CLMRRTRHVAXITA-KRWDZBQOSA-N 0 1 411.845 3.595 50 0 HHAAMN O=C(CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc2c(c1)CCC2 ZINC000031344478 568924593 /nfs/dbraw/zinc/92/45/93/568924593.db2.gz MPCSBFCXDSBRFA-UHFFFAOYSA-N 0 1 418.463 3.740 50 0 HHAAMN CSc1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000008066100 568971257 /nfs/dbraw/zinc/97/12/57/568971257.db2.gz FRMYKNSMNFNZFR-UHFFFAOYSA-N 0 1 404.333 3.811 50 0 HHAAMN CC(C)Cc1nn2c(nc(CSc3nc(-c4ccccc4F)n[nH]3)cc2=O)s1 ZINC000015731858 568982139 /nfs/dbraw/zinc/98/21/39/568982139.db2.gz TUQRAAIFJKEWEB-UHFFFAOYSA-N 0 1 416.507 3.566 50 0 HHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205053 569003409 /nfs/dbraw/zinc/00/34/09/569003409.db2.gz KKDJBCNEHGHMKE-FQEVSTJZSA-N 0 1 413.905 3.643 50 0 HHAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000012941845 569028692 /nfs/dbraw/zinc/02/86/92/569028692.db2.gz YEXNIWZJGOUGCL-JOCHJYFZSA-N 0 1 409.530 3.953 50 0 HHAAMN Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(CC[NH+]2CCCCC2)n3C)cc1 ZINC000006184592 569029083 /nfs/dbraw/zinc/02/90/83/569029083.db2.gz YPABCDSIAMXGAC-UHFFFAOYSA-N 0 1 412.559 3.711 50 0 HHAAMN CCCn1c(=O)cc(O)nc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000012947676 569029299 /nfs/dbraw/zinc/02/92/99/569029299.db2.gz PCPMHVGMGGGCOR-UHFFFAOYSA-N 0 1 423.494 3.586 50 0 HHAAMN Cc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccccc2)c1 ZINC000035372506 569033895 /nfs/dbraw/zinc/03/38/95/569033895.db2.gz BVJKZPFEYSAYAO-UHFFFAOYSA-N 0 1 406.555 3.990 50 0 HHAAMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006316920 569040306 /nfs/dbraw/zinc/04/03/06/569040306.db2.gz AVYBQPZRDGSDGN-UHFFFAOYSA-N 0 1 407.488 3.525 50 0 HHAAMN O[C@H](COCc1ccco1)CN(Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103470 569092162 /nfs/dbraw/zinc/09/21/62/569092162.db2.gz KDSMPRFMIJRRFU-KRWDZBQOSA-N 0 1 401.484 3.650 50 0 HHAAMN COc1cccc(CN2CC=C(C(=O)NCc3ccccc3Br)CC2)c1 ZINC000064818018 569101259 /nfs/dbraw/zinc/10/12/59/569101259.db2.gz QLFIHAITBMAVQD-UHFFFAOYSA-N 0 1 415.331 3.906 50 0 HHAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000006744622 569107508 /nfs/dbraw/zinc/10/75/08/569107508.db2.gz CFXWCVUCLKVAEH-QHCPKHFHSA-N 0 1 412.449 3.931 50 0 HHAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)c1 ZINC000006743303 569108005 /nfs/dbraw/zinc/10/80/05/569108005.db2.gz XCOYIZFJDHXQOS-HSZRJFAPSA-N 0 1 421.497 3.725 50 0 HHAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000006752768 569111289 /nfs/dbraw/zinc/11/12/89/569111289.db2.gz KEHWFWYALYTGSQ-SBUREZEXSA-N 0 1 419.481 3.905 50 0 HHAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)c1 ZINC000006752822 569111544 /nfs/dbraw/zinc/11/15/44/569111544.db2.gz PHZUYUAGEWMKFU-QFIPXVFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000064969519 569137978 /nfs/dbraw/zinc/13/79/78/569137978.db2.gz ORYUYAPZMLXDSZ-UHFFFAOYSA-N 0 1 404.923 3.599 50 0 HHAAMN Cc1cc(C)c(S(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)c(C)c1 ZINC000064969522 569138063 /nfs/dbraw/zinc/13/80/63/569138063.db2.gz FQRQDQKXKIKUOZ-UHFFFAOYSA-N 0 1 404.923 3.571 50 0 HHAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc1 ZINC000065009015 569153315 /nfs/dbraw/zinc/15/33/15/569153315.db2.gz WOTBDFPQARGHHX-UHFFFAOYSA-N 0 1 419.528 3.743 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021324 569154426 /nfs/dbraw/zinc/15/44/26/569154426.db2.gz HHPWDZMQVDJMDH-UHFFFAOYSA-N 0 1 414.527 3.920 50 0 HHAAMN CCCN1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)CC)cc2)CC1 ZINC000065026855 569155827 /nfs/dbraw/zinc/15/58/27/569155827.db2.gz RDNZNCBTSIPQMF-UHFFFAOYSA-N 0 1 405.542 3.821 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935217 569186060 /nfs/dbraw/zinc/18/60/60/569186060.db2.gz MOVUOXFQSPBHDZ-HNNXBMFYSA-N 0 1 414.527 3.964 50 0 HHAAMN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1)NCc1cccs1 ZINC000013850389 569258169 /nfs/dbraw/zinc/25/81/69/569258169.db2.gz JCYJRVOJMLMQAU-UHFFFAOYSA-N 0 1 422.478 3.686 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)N2CCCC2)cc1 ZINC000014238934 569259061 /nfs/dbraw/zinc/25/90/61/569259061.db2.gz VYDWZZAAXMRNGU-SFHVURJKSA-N 0 1 423.435 3.598 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000017012417 569271533 /nfs/dbraw/zinc/27/15/33/569271533.db2.gz NFJAVPCBWPLNSA-UHFFFAOYSA-N 0 1 415.541 3.891 50 0 HHAAMN O=C(NCc1ccccn1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000001114027 569277342 /nfs/dbraw/zinc/27/73/42/569277342.db2.gz VTMMCFJKPFDVQT-UHFFFAOYSA-N 0 1 408.527 3.577 50 0 HHAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000135716411 569359341 /nfs/dbraw/zinc/35/93/41/569359341.db2.gz NFRIQTUVSBIGGV-VSKRKVRLSA-N 0 1 400.434 3.746 50 0 HHAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccnc2ccccc21 ZINC000253399237 569365461 /nfs/dbraw/zinc/36/54/61/569365461.db2.gz CRVXAJCGIKXFKH-HNNXBMFYSA-N 0 1 415.401 3.999 50 0 biogenic HHAAMN Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cn1 ZINC000253410089 569366573 /nfs/dbraw/zinc/36/65/73/569366573.db2.gz MVLZRHJIQUMZRO-AWEZNQCLSA-N 0 1 422.824 3.994 50 0 biogenic HHAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000027735720 569391985 /nfs/dbraw/zinc/39/19/85/569391985.db2.gz VSFNLMCVWHSPCP-QFIPXVFZSA-N 0 1 409.530 3.953 50 0 HHAAMN COc1ccc(-c2[nH]ncc2C(=O)Nc2n[nH]c3cc(Br)ccc32)cc1 ZINC000079475417 569431532 /nfs/dbraw/zinc/43/15/32/569431532.db2.gz TVABUVNNVASBPL-UHFFFAOYSA-N 0 1 412.247 3.976 50 0 HHAAMN O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000000722181 571041268 /nfs/dbraw/zinc/04/12/68/571041268.db2.gz CKPBRITYHLQBKZ-UHFFFAOYSA-N 0 1 417.431 3.514 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCCCc2ccccc2)n1 ZINC000008487957 571055364 /nfs/dbraw/zinc/05/53/64/571055364.db2.gz HONYKCQRHILMPS-UHFFFAOYSA-N 0 1 416.934 3.975 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3c(C)cccc3CC)[n-]c(=O)c2C1 ZINC000067291797 571068393 /nfs/dbraw/zinc/06/83/93/571068393.db2.gz GDGKJTDHQREJKT-UHFFFAOYSA-N 0 1 400.548 3.552 50 0 HHAAMN CCCN1c2ccc(NS(=O)(=O)c3cc(CC)ccc3OC)cc2CCC1=O ZINC000008840603 571123587 /nfs/dbraw/zinc/12/35/87/571123587.db2.gz VIQPMUCDZMNUOZ-UHFFFAOYSA-N 0 1 402.516 3.748 50 0 HHAAMN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008893851 571143211 /nfs/dbraw/zinc/14/32/11/571143211.db2.gz FFCONMVJTHCFBS-IBGZPJMESA-N 0 1 419.978 3.751 50 0 HHAAMN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c2)C1 ZINC000245237876 571219639 /nfs/dbraw/zinc/21/96/39/571219639.db2.gz BKOBBYMKNYHCKH-KNQAVFIVSA-N 0 1 414.594 3.588 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2)N(CCO)C3=O)cc1Cl ZINC000009124491 571225929 /nfs/dbraw/zinc/22/59/29/571225929.db2.gz YGAZTPZEWUTBLD-IBGZPJMESA-N 0 1 418.280 3.935 50 0 HHAAMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(-n2cccn2)cc1 ZINC000069593723 571232280 /nfs/dbraw/zinc/23/22/80/571232280.db2.gz MOKNEUPNOGRJGI-UHFFFAOYSA-N 0 1 409.247 3.672 50 0 HHAAMN CCn1c(SCC(=O)Nc2ccc3nc(C)[nH]c3c2)nnc1-c1ccccc1O ZINC000009187515 571235094 /nfs/dbraw/zinc/23/50/94/571235094.db2.gz CVSCQTDCQCRQHQ-UHFFFAOYSA-N 0 1 408.487 3.586 50 0 HHAAMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000070007206 571253747 /nfs/dbraw/zinc/25/37/47/571253747.db2.gz MRIQRHLRZWLXGY-DLBZAZTESA-N 0 1 410.499 3.719 50 0 HHAAMN O=C(COC(=O)c1ccc(O)c(Br)c1)Nc1ccccc1C(F)(F)F ZINC000009442121 571259263 /nfs/dbraw/zinc/25/92/63/571259263.db2.gz HBQZXEGYORUFPA-UHFFFAOYSA-N 0 1 418.165 3.969 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4scnc4C)C3)C2)c1 ZINC000012315959 962271358 /nfs/dbraw/zinc/27/13/58/962271358.db2.gz ZOPUIDSPNJAHKK-NRFANRHFSA-N 0 1 403.523 3.728 50 0 HHAAMN O=C(c1ccc(Cl)cc1OC1CCN(Cc2cnc[nH]2)CC1)N1CCCCC1 ZINC000015079147 962651782 /nfs/dbraw/zinc/65/17/82/962651782.db2.gz DBGFLVAMTVCRLE-UHFFFAOYSA-N 0 1 402.926 3.733 50 0 HHAAMN CCOc1ccccc1CN1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000019839230 963376309 /nfs/dbraw/zinc/37/63/09/963376309.db2.gz UMNKVMHXBWOOKA-QHCPKHFHSA-N 0 1 405.542 3.702 50 0 HHAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000055343476 965823702 /nfs/dbraw/zinc/82/37/02/965823702.db2.gz YJGZFCIQIOUXSI-JOCHJYFZSA-N 0 1 407.558 3.577 50 0 HHAAMN CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(C[C@H]2CC=CCC2)CC1 ZINC000039544237 966499551 /nfs/dbraw/zinc/49/95/51/966499551.db2.gz GXURHFUZUZWSSM-SFHVURJKSA-N 0 1 423.550 3.744 50 0 HHAAMN CCOc1cc(CN2CCC(C)(c3noc(C4CCOCC4)n3)CC2)ccc1O ZINC000253404939 970560398 /nfs/dbraw/zinc/56/03/98/970560398.db2.gz IAQAYXRWQXIRLZ-UHFFFAOYSA-N 0 1 401.507 3.622 50 0 HHAAMN CCOc1ccc2nc(N3CCC(N4CCC[C@@H]4c4nonc4C)CC3)nc(C)c2c1 ZINC000299780512 970723847 /nfs/dbraw/zinc/72/38/47/970723847.db2.gz APRBHPGHYXUFNO-OAQYLSRUSA-N 0 1 422.533 3.834 50 0 HHAAMN COc1ccc(CN2CCC[C@H](c3[nH]ccc3C(=O)N(C)C)C2)c(Cl)c1OC ZINC000409420171 972890255 /nfs/dbraw/zinc/89/02/55/972890255.db2.gz ZFADLKWWECXNSW-HNNXBMFYSA-N 0 1 405.926 3.767 50 0 HHAAMN CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000001355864 132244719 /nfs/dbraw/zinc/24/47/19/132244719.db2.gz ROHJXGANFONFQK-QFIPXVFZSA-N 0 1 405.498 3.619 50 0 HHAAMN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000002911938 132259365 /nfs/dbraw/zinc/25/93/65/132259365.db2.gz ZSXLRXQCIPPUBL-UHFFFAOYSA-N 0 1 413.522 3.760 50 0 HHAAMN Cc1c(C(=O)Nc2ccccc2Cl)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000002911927 132259383 /nfs/dbraw/zinc/25/93/83/132259383.db2.gz UQHZRHRDDGFSLK-UHFFFAOYSA-N 0 1 415.950 3.966 50 0 HHAAMN CCN1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(F)c3)n2)CC1 ZINC000009622903 132341892 /nfs/dbraw/zinc/34/18/92/132341892.db2.gz HCILRMNVXPNYEG-UHFFFAOYSA-N 0 1 417.492 3.840 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)c3cc4c(s3)-c3ccccc3CC4)cn2)CC1 ZINC000012612623 132365340 /nfs/dbraw/zinc/36/53/40/132365340.db2.gz CZEWUFONJLVVBT-UHFFFAOYSA-N 0 1 404.539 3.913 50 0 HHAAMN CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000000959117 522152426 /nfs/dbraw/zinc/15/24/26/522152426.db2.gz UTXHUAHPKUCYPD-UHFFFAOYSA-N 0 1 406.452 3.776 50 0 HHAAMN COc1cccc([C@@H](CNC(=O)c2cncn2-c2ccc(F)cc2)N2CCCC2)c1 ZINC000032841397 524098971 /nfs/dbraw/zinc/09/89/71/524098971.db2.gz MDFSZUBADMMQEN-OAQYLSRUSA-N 0 1 408.477 3.587 50 0 HHAAMN COc1ccc([C@@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)N2CCCC2)cc1 ZINC000032679674 525188207 /nfs/dbraw/zinc/18/82/07/525188207.db2.gz VVURXOQAAYPVSX-HSZRJFAPSA-N 0 1 412.555 3.739 50 0 HHAAMN Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccccc3N3CCN(C)CC3)c1CO2 ZINC000032920448 526136374 /nfs/dbraw/zinc/13/63/74/526136374.db2.gz VFRYQHWRHYOCGC-UHFFFAOYSA-N 0 1 404.470 3.547 50 0 HHAAMN Cc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1NS(C)(=O)=O ZINC000032466105 526222864 /nfs/dbraw/zinc/22/28/64/526222864.db2.gz FWZYVHCAIRQARO-UHFFFAOYSA-N 0 1 400.504 3.793 50 0 HHAAMN O=S(=O)(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1 ZINC000044922270 527252136 /nfs/dbraw/zinc/25/21/36/527252136.db2.gz GINRFSMZBZRVFK-INIZCTEOSA-N 0 1 422.304 3.978 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OC[C@@H]1CCCO1 ZINC000000853932 557102159 /nfs/dbraw/zinc/10/21/59/557102159.db2.gz HDWVVZKNCFAWCI-UNMCSNQZSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN CC1=NC(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C1C(=O)OC[C@@H]1CCCO1 ZINC000000853936 557102217 /nfs/dbraw/zinc/10/22/17/557102217.db2.gz JUVNOQZQZGPOCX-UNMCSNQZSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000001067551 557166953 /nfs/dbraw/zinc/16/69/53/557166953.db2.gz FDENFTJGUDMNDY-UHFFFAOYSA-N 0 1 417.268 3.717 50 0 HHAAMN COc1c(NS(=O)(=O)c2ccc(F)cc2)cc(C)cc1-n1nc2ccccc2n1 ZINC000001425422 557261460 /nfs/dbraw/zinc/26/14/60/557261460.db2.gz YXGHWUZPZJYFHJ-UHFFFAOYSA-N 0 1 412.446 3.677 50 0 HHAAMN CCOC(=O)COc1cc2ccc(C)nc2c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000002569542 557357148 /nfs/dbraw/zinc/35/71/48/557357148.db2.gz KCASTCXJTDRDFT-UHFFFAOYSA-N 0 1 414.483 3.594 50 0 in-vitro HHAAMN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000002843700 557402003 /nfs/dbraw/zinc/40/20/03/557402003.db2.gz HEFROEQKLMKHHP-UHFFFAOYSA-N 0 1 404.271 3.898 50 0 HHAAMN COc1cc(OC)cc(C(=O)Nc2c(C3CC3)n[nH]c2-c2ccc3c(c2)OCO3)c1 ZINC000034794554 557470772 /nfs/dbraw/zinc/47/07/72/557470772.db2.gz ZOKHBMYQWOBRRZ-UHFFFAOYSA-N 0 1 407.426 3.952 50 0 HHAAMN Cc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N[C@H]4CCCc5ccccc54)c3C2)c1 ZINC000034797184 557472374 /nfs/dbraw/zinc/47/23/74/557472374.db2.gz AIVKINWCZHHISG-NRFANRHFSA-N 0 1 414.509 3.724 50 0 HHAAMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000004426836 557554574 /nfs/dbraw/zinc/55/45/74/557554574.db2.gz FUQKGAWRINVOJB-LVUHPAMQSA-N 0 1 418.559 3.865 50 0 HHAAMN COc1ccc(-c2n[nH]c(S[C@@H]3CC(=O)N(c4cccc(C)c4C)C3=O)n2)cc1 ZINC000005447728 557654577 /nfs/dbraw/zinc/65/45/77/557654577.db2.gz ISZTYBAUNHWEJK-QGZVFWFLSA-N 0 1 408.483 3.521 50 0 HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)cc1 ZINC000006139269 557690056 /nfs/dbraw/zinc/69/00/56/557690056.db2.gz KMSZYEIYKNNJDM-UHFFFAOYSA-N 0 1 415.902 3.774 50 0 HHAAMN CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(C)=O)ccc21 ZINC000022804440 557824689 /nfs/dbraw/zinc/82/46/89/557824689.db2.gz CCLLEHIEJGPDLW-UHFFFAOYSA-N 0 1 405.546 3.723 50 0 HHAAMN Cn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000022822047 557832686 /nfs/dbraw/zinc/83/26/86/557832686.db2.gz BKDZREILMCAWAM-UHFFFAOYSA-N 0 1 419.573 3.871 50 0 HHAAMN Fc1ccccc1N1CCN([C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741163 558261783 /nfs/dbraw/zinc/26/17/83/558261783.db2.gz AQAAOESVHFCTBB-QHCPKHFHSA-N 0 1 419.548 3.798 50 0 HHAAMN COCCN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)C(C)C ZINC000019744599 558265193 /nfs/dbraw/zinc/26/51/93/558265193.db2.gz BKJWVXDDIZLUNR-UHFFFAOYSA-N 0 1 422.573 3.814 50 0 HHAAMN COc1ccc(-n2cc(CN(C)C[C@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000011661377 558265341 /nfs/dbraw/zinc/26/53/41/558265341.db2.gz TUIFMNBMCWMSSX-QFIPXVFZSA-N 0 1 411.477 3.534 50 0 HHAAMN Cc1ccc2nc(C3CCN(C(=O)c4cn(Cc5ccc(F)cc5)nn4)CC3)[nH]c2c1 ZINC000011664115 558267617 /nfs/dbraw/zinc/26/76/17/558267617.db2.gz NFDVPQAJTROOIT-UHFFFAOYSA-N 0 1 418.476 3.670 50 0 HHAAMN CCOC(=O)C1(CCOC)CCN(Cc2ccc3cc(OCC)ccc3n2)CC1 ZINC000011667968 558269739 /nfs/dbraw/zinc/26/97/39/558269739.db2.gz CHXZKZDVOADWQV-UHFFFAOYSA-N 0 1 400.519 3.815 50 0 HHAAMN CC[C@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccc(Cl)cc2O1 ZINC000011786757 558276135 /nfs/dbraw/zinc/27/61/35/558276135.db2.gz FACYANXFTBYNML-IBGZPJMESA-N 0 1 417.937 3.683 50 0 HHAAMN O=C1CCN(Cc2ccc3c(c2)OCO3)CCN1Cc1ccccc1C(F)(F)F ZINC000012037405 558312080 /nfs/dbraw/zinc/31/20/80/558312080.db2.gz PLIXKYXDOZVHCU-UHFFFAOYSA-N 0 1 406.404 3.669 50 0 HHAAMN Nc1cc(N)nc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000020100343 558331692 /nfs/dbraw/zinc/33/16/92/558331692.db2.gz QCXGKUMTNZMWAZ-UHFFFAOYSA-N 0 1 401.879 3.818 50 0 HHAAMN COC1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000012200032 558351100 /nfs/dbraw/zinc/35/11/00/558351100.db2.gz RSRNRJDNPYYAJG-UHFFFAOYSA-N 0 1 420.557 3.568 50 0 HHAAMN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000020377115 558358834 /nfs/dbraw/zinc/35/88/34/558358834.db2.gz WLEKKAOOXDJPCT-ZDUSSCGKSA-N 0 1 409.317 3.546 50 0 HHAAMN O=C(c1cccnc1)N1CCC[C@H](COc2ccc(CN3CCSCC3)cc2)C1 ZINC000012282206 558365473 /nfs/dbraw/zinc/36/54/73/558365473.db2.gz RKYDHJRRZYHSQG-FQEVSTJZSA-N 0 1 411.571 3.562 50 0 HHAAMN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000012297644 558367685 /nfs/dbraw/zinc/36/76/85/558367685.db2.gz DCCIUPSZXFNWLE-UHFFFAOYSA-N 0 1 411.498 3.812 50 0 HHAAMN Cc1cc(C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)n[nH]1 ZINC000012305992 558374886 /nfs/dbraw/zinc/37/48/86/558374886.db2.gz SUJUVGDBQHQOIV-UHFFFAOYSA-N 0 1 422.573 3.832 50 0 HHAAMN COC(=O)c1ccc(-c2noc(CN3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)n2)cc1 ZINC000012316567 558379889 /nfs/dbraw/zinc/37/98/89/558379889.db2.gz HDHMLYCYFOCSCU-SFHVURJKSA-N 0 1 421.432 3.876 50 0 HHAAMN COc1ccc(/C=C/CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020515862 558382786 /nfs/dbraw/zinc/38/27/86/558382786.db2.gz OTXKROYQFNDYJJ-OIUIXCLQSA-N 0 1 410.558 3.594 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2F)c1 ZINC000020734075 558407249 /nfs/dbraw/zinc/40/72/49/558407249.db2.gz CVSYRGQWLROQEY-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN CN(C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccc(Cl)cc2s1 ZINC000004359192 558449453 /nfs/dbraw/zinc/44/94/53/558449453.db2.gz INAQABBHOJWKHJ-UHFFFAOYSA-N 0 1 417.918 3.929 50 0 HHAAMN COC(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(ccc(C)c3C)s2)cc1 ZINC000004359381 558451379 /nfs/dbraw/zinc/45/13/79/558451379.db2.gz LEUPKEIAXMJKNJ-UHFFFAOYSA-N 0 1 411.527 3.908 50 0 HHAAMN COc1ccc2nc(N(CCN(C)C)C(=O)CSc3ccccc3)sc2c1 ZINC000005239578 558451450 /nfs/dbraw/zinc/45/14/50/558451450.db2.gz BIINECZQSYNISF-UHFFFAOYSA-N 0 1 401.557 3.992 50 0 HHAAMN O=C1CC2(CCCC2)C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022095474 558463409 /nfs/dbraw/zinc/46/34/09/558463409.db2.gz NGBAODJZSDNZFH-UHFFFAOYSA-N 0 1 417.553 3.670 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000012797409 558469845 /nfs/dbraw/zinc/46/98/45/558469845.db2.gz RGBVXANVRXYZMK-UHFFFAOYSA-N 0 1 408.526 3.552 50 0 HHAAMN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(C(C)C)cc1Cl ZINC000012995137 558498425 /nfs/dbraw/zinc/49/84/25/558498425.db2.gz KNBWQPCPQBNLSY-UHFFFAOYSA-N 0 1 416.953 3.936 50 0 HHAAMN Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000022759617 558508410 /nfs/dbraw/zinc/50/84/10/558508410.db2.gz VZDPWKSKGUQXCT-FQEVSTJZSA-N 0 1 413.543 3.894 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)c(C)c1C ZINC000022913030 558519941 /nfs/dbraw/zinc/51/99/41/558519941.db2.gz MHJUUMKETMQWDX-NRFANRHFSA-N 0 1 404.501 3.659 50 0 HHAAMN Cc1nc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cc2[nH]1 ZINC000010896100 558547812 /nfs/dbraw/zinc/54/78/12/558547812.db2.gz ZQNGWPSMCUSCJN-LJQANCHMSA-N 0 1 404.495 3.913 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)c(C)c1C ZINC000023358913 558551413 /nfs/dbraw/zinc/55/14/13/558551413.db2.gz BWTYEMKWFDGXCF-FQEVSTJZSA-N 0 1 404.501 3.659 50 0 HHAAMN C[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000014142364 558625480 /nfs/dbraw/zinc/62/54/80/558625480.db2.gz NAJSUZJGAMTHKX-INIZCTEOSA-N 0 1 421.588 3.602 50 0 HHAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4CCCC[C@@H]43)C2=O)cc1 ZINC000025185110 558634216 /nfs/dbraw/zinc/63/42/16/558634216.db2.gz JYLLIHUHWDLDPD-WZONZLPQSA-N 0 1 423.444 3.859 50 0 HHAAMN COc1ccc([C@H](CNC(=O)Cc2ccc(NC(C)=O)cc2)N2CCCCC2)cc1 ZINC000014233364 558640526 /nfs/dbraw/zinc/64/05/26/558640526.db2.gz QJQLRDKUJRFDAT-QHCPKHFHSA-N 0 1 409.530 3.540 50 0 HHAAMN CC(C)C(=O)Nc1ccc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1 ZINC000014407501 558654295 /nfs/dbraw/zinc/65/42/95/558654295.db2.gz CPVHYLGWFVRQGF-UHFFFAOYSA-N 0 1 406.442 3.695 50 0 HHAAMN CCCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000027663575 558678855 /nfs/dbraw/zinc/67/88/55/558678855.db2.gz JVAMFQHZLZTQAS-JOCHJYFZSA-N 0 1 415.965 3.847 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027667522 558680082 /nfs/dbraw/zinc/68/00/82/558680082.db2.gz ANKLGLQNOJMSSY-HTAPYJJXSA-N 0 1 400.494 3.945 50 0 HHAAMN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc(OC)c1OC ZINC000027741174 558680702 /nfs/dbraw/zinc/68/07/02/558680702.db2.gz PCYOLLDAVSOJQP-INIZCTEOSA-N 0 1 404.532 3.731 50 0 HHAAMN CSCCC(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014952031 558681331 /nfs/dbraw/zinc/68/13/31/558681331.db2.gz BIAKYFLKXQUFME-FQEVSTJZSA-N 0 1 408.583 3.798 50 0 HHAAMN CCC(CC)C(=O)N1CCC(Oc2ccc(CN(C)Cc3cnn(C)c3)cc2)CC1 ZINC000014995816 558696138 /nfs/dbraw/zinc/69/61/38/558696138.db2.gz RTDVZYXRTXKWBY-UHFFFAOYSA-N 0 1 412.578 3.858 50 0 HHAAMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)cc2C[C@H]1C ZINC000028680836 558703448 /nfs/dbraw/zinc/70/34/48/558703448.db2.gz CLFJTCFMRNZUFE-LLVKDONJSA-N 0 1 414.405 3.684 50 0 HHAAMN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000015066524 558709393 /nfs/dbraw/zinc/70/93/93/558709393.db2.gz BFXCWPCAOILHAS-DEOSSOPVSA-N 0 1 405.498 3.900 50 0 HHAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c(=O)c2C1 ZINC000015962642 558764171 /nfs/dbraw/zinc/76/41/71/558764171.db2.gz LVCIHPWPCYUVLT-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c(=O)c2C1 ZINC000015962642 558764173 /nfs/dbraw/zinc/76/41/73/558764173.db2.gz LVCIHPWPCYUVLT-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN CCOc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007380 558828110 /nfs/dbraw/zinc/82/81/10/558828110.db2.gz OBXGYXWIDPTUKT-UHFFFAOYSA-N 0 1 418.515 3.965 50 0 HHAAMN Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000019222025 558852137 /nfs/dbraw/zinc/85/21/37/558852137.db2.gz KSPDKWKKIPFHSV-UHFFFAOYSA-N 0 1 424.574 3.803 50 0 HHAAMN O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000055385361 558880635 /nfs/dbraw/zinc/88/06/35/558880635.db2.gz XMYKFTADFNDMOB-QGZVFWFLSA-N 0 1 403.471 3.503 50 0 HHAAMN CCc1ccccc1NC(=O)c1ccccc1NC(=O)CC[C@H](C)N1CCOCC1 ZINC000055393098 558881101 /nfs/dbraw/zinc/88/11/01/558881101.db2.gz VRENBMDELWWYPI-SFHVURJKSA-N 0 1 409.530 3.941 50 0 HHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038479 558896515 /nfs/dbraw/zinc/89/65/15/558896515.db2.gz DULLNMIAXAEWIK-FQEVSTJZSA-N 0 1 413.905 3.643 50 0 HHAAMN Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4F)CC3)n2)cc1 ZINC000067604767 558988631 /nfs/dbraw/zinc/98/86/31/558988631.db2.gz YXMZRKASKXDLRR-UHFFFAOYSA-N 0 1 408.477 3.713 50 0 HHAAMN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067867853 558994194 /nfs/dbraw/zinc/99/41/94/558994194.db2.gz XLPVHYOWKLMQHX-ZDUSSCGKSA-N 0 1 400.841 3.577 50 0 HHAAMN COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000023157104 559022202 /nfs/dbraw/zinc/02/22/02/559022202.db2.gz GORXPHWEBICPED-JCGVRSQUSA-N 0 1 416.547 3.889 50 0 HHAAMN Cc1nc(N2CCCC2)cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)[nH+]1 ZINC000033326856 559059481 /nfs/dbraw/zinc/05/94/81/559059481.db2.gz YKFYSAWPTHWTPS-UHFFFAOYSA-N 0 1 415.544 3.991 50 0 HHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000091391019 559071422 /nfs/dbraw/zinc/07/14/22/559071422.db2.gz VQQORSQNXGLICT-SFHVURJKSA-N 0 1 404.405 3.638 50 0 HHAAMN O=C1C[C@H]([C@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100789895 559140871 /nfs/dbraw/zinc/14/08/71/559140871.db2.gz KOJFHACVEAYTSQ-IAGOWNOFSA-N 0 1 408.420 3.601 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 ZINC000023748570 559180777 /nfs/dbraw/zinc/18/07/77/559180777.db2.gz ZJDUNBUGIGVUSG-UHFFFAOYSA-N 0 1 417.405 3.517 50 0 HHAAMN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C)CC2)c(OC)c1 ZINC000005093824 559244468 /nfs/dbraw/zinc/24/44/68/559244468.db2.gz FZRKCEKKAABEDP-HXUWFJFHSA-N 0 1 423.513 3.678 50 0 HHAAMN Cn1cccc1[C@@H](CNS(=O)(=O)Cc1cccc(Cl)c1)N1CCCCCC1 ZINC000011897845 559265463 /nfs/dbraw/zinc/26/54/63/559265463.db2.gz LFRUBOQLYAJEFL-HXUWFJFHSA-N 0 1 409.983 3.715 50 0 HHAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(F)cc2)c1 ZINC000005198244 559292155 /nfs/dbraw/zinc/29/21/55/559292155.db2.gz CPYFZZIMSMFEPX-NHCUHLMSSA-N 0 1 400.409 3.887 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)Nc1ccccc1Br ZINC000005522541 560605318 /nfs/dbraw/zinc/60/53/18/560605318.db2.gz WWELLAUMABIVPW-UHFFFAOYSA-N 0 1 405.277 3.671 50 0 HHAAMN CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 ZINC000017289206 560706037 /nfs/dbraw/zinc/70/60/37/560706037.db2.gz QVOCHLZKWVOPPE-UHFFFAOYSA-N 0 1 409.305 3.549 50 0 HHAAMN CCOC(=O)CC(C)=Nc1ncn(-c2ccc(OC)cc2)c1C(=O)c1ccccc1 ZINC000100894601 560762207 /nfs/dbraw/zinc/76/22/07/560762207.db2.gz ZWEQAVAULZXLQT-JQIJEIRASA-N 0 1 405.454 3.991 50 0 HHAAMN CC[N@H+]1CCC[C@@H]1CN/C=C1/c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000101189272 560788990 /nfs/dbraw/zinc/78/89/90/560788990.db2.gz FTUCIZNIMGFHOE-CCQQXMDGSA-N 0 1 403.526 3.905 50 0 HHAAMN CCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2OC)n1 ZINC000046020183 568423840 /nfs/dbraw/zinc/42/38/40/568423840.db2.gz OLVLABMTNZTMGW-UHFFFAOYSA-N 0 1 403.460 3.507 50 0 HHAAMN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc4ccc(C)cc4[nH]3)ccc21 ZINC000005263179 568443044 /nfs/dbraw/zinc/44/30/44/568443044.db2.gz BEMDJQCJOHCEAS-UHFFFAOYSA-N 0 1 415.540 3.559 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)N1CCN(C)CC1 ZINC000022766994 568499169 /nfs/dbraw/zinc/49/91/69/568499169.db2.gz GNRNRYHVLMQTHR-QGZVFWFLSA-N 0 1 408.955 3.520 50 0 HHAAMN CCOC(=O)C1C(CN(C)c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214567 568594735 /nfs/dbraw/zinc/59/47/35/568594735.db2.gz MKRMCVIKAHFTOM-JOCHJYFZSA-N 0 1 423.513 3.781 50 0 HHAAMN CCOc1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000095394971 568604413 /nfs/dbraw/zinc/60/44/13/568604413.db2.gz KXQCMWMQVQJNOJ-UHFFFAOYSA-N 0 1 402.922 3.898 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c(Br)c1 ZINC000028240383 568615162 /nfs/dbraw/zinc/61/51/62/568615162.db2.gz JTUYXGGBIOMDCJ-UHFFFAOYSA-N 0 1 409.305 3.685 50 0 HHAAMN CCN(CC)[C@@H](CNC(=O)c1cccc(CNc2nccc(C)n2)c1)c1ccco1 ZINC000095467418 568624613 /nfs/dbraw/zinc/62/46/13/568624613.db2.gz HNVODDPTGBLQKZ-FQEVSTJZSA-N 0 1 407.518 3.803 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2c(C)cccc2C)c(C)n1C ZINC000021030228 568659219 /nfs/dbraw/zinc/65/92/19/568659219.db2.gz OBNSTEVBILKHFU-UHFFFAOYSA-N 0 1 417.575 3.932 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cccc(C)c2)c(C)n1C ZINC000021030541 568659318 /nfs/dbraw/zinc/65/93/18/568659318.db2.gz KVKGTFKZXZNFNM-UHFFFAOYSA-N 0 1 403.548 3.623 50 0 HHAAMN O=C(CCOCc1ccccc1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000096011954 568684545 /nfs/dbraw/zinc/68/45/45/568684545.db2.gz BFTCOVYBAQRZLW-SFHVURJKSA-N 0 1 404.392 3.636 50 0 HHAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 ZINC000096183700 568703136 /nfs/dbraw/zinc/70/31/36/568703136.db2.gz HCGJYERKXUZRSL-AREMUKBSSA-N 0 1 416.569 3.903 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533469 568711631 /nfs/dbraw/zinc/71/16/31/568711631.db2.gz FPJCGPABRIGXBT-UHFFFAOYSA-N 0 1 415.419 3.843 50 0 HHAAMN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](c2cccs2)N(C)C)C[C@@H](C)O1 ZINC000229832365 568715455 /nfs/dbraw/zinc/71/54/55/568715455.db2.gz UNEQDSMLZYIGND-GPMSIDNRSA-N 0 1 402.564 3.786 50 0 HHAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1 ZINC000096323457 568731928 /nfs/dbraw/zinc/73/19/28/568731928.db2.gz FSNHDOQTGVUUIN-UHFFFAOYSA-N 0 1 406.485 3.997 50 0 HHAAMN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324554 568733961 /nfs/dbraw/zinc/73/39/61/568733961.db2.gz NNDPBLNGAUMQCZ-UHFFFAOYSA-N 0 1 409.877 3.616 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)cc1F ZINC000096379494 568740909 /nfs/dbraw/zinc/74/09/09/568740909.db2.gz QXIHRNVRPIJUGK-UHFFFAOYSA-N 0 1 406.439 3.507 50 0 HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)n1 ZINC000000945099 568754562 /nfs/dbraw/zinc/75/45/62/568754562.db2.gz SFEUGHICFTYQIW-UHFFFAOYSA-N 0 1 408.892 3.553 50 0 HHAAMN COc1ccccc1NC(=O)CCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022200022 568765329 /nfs/dbraw/zinc/76/53/29/568765329.db2.gz DFTBZVUFIDCOJV-UHFFFAOYSA-N 0 1 421.463 3.860 50 0 HHAAMN N=C(NS(=O)(=O)c1ccc(Cl)s1)c1ncc(C(F)(F)F)cc1Cl ZINC000261495027 568820750 /nfs/dbraw/zinc/82/07/50/568820750.db2.gz PKIJHVFMUZVTPE-UHFFFAOYSA-N 0 1 404.222 3.773 50 0 HHAAMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000057335787 568827128 /nfs/dbraw/zinc/82/71/28/568827128.db2.gz AAFROORYUVWYKL-LBPRGKRZSA-N 0 1 423.307 3.764 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)N2CCCCC2)cc1 ZINC000029755184 568828840 /nfs/dbraw/zinc/82/88/40/568828840.db2.gz QPMLLUUNWOCVIN-QFIPXVFZSA-N 0 1 421.545 3.551 50 0 HHAAMN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012551241 568853035 /nfs/dbraw/zinc/85/30/35/568853035.db2.gz YAPLESTUCJFKDN-CTNGQTDRSA-N 0 1 415.509 3.517 50 0 HHAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cnccn1 ZINC000012599196 568869597 /nfs/dbraw/zinc/86/95/97/568869597.db2.gz IRZADDSVGYLGRT-UHFFFAOYSA-N 0 1 423.281 3.837 50 0 HHAAMN COc1ccc(CN2CCCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1 ZINC000030615821 568876226 /nfs/dbraw/zinc/87/62/26/568876226.db2.gz AFTFBBKJSIYMJG-UHFFFAOYSA-N 0 1 417.513 3.577 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000003451562 568905737 /nfs/dbraw/zinc/90/57/37/568905737.db2.gz LJRWXVPBDGYKMR-UHFFFAOYSA-N 0 1 402.497 3.739 50 0 HHAAMN C[C@H]1CCCCN1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012783415 568958932 /nfs/dbraw/zinc/95/89/32/568958932.db2.gz NGUQYLOOISEJCU-LBPRGKRZSA-N 0 1 405.848 3.630 50 0 HHAAMN COc1ccc(-c2nc(CN3CCC(C(=O)N4CCCC4)CC3)c(C)o2)cc1OC ZINC000005043045 568969265 /nfs/dbraw/zinc/96/92/65/568969265.db2.gz KDYTYVDQURHACL-UHFFFAOYSA-N 0 1 413.518 3.502 50 0 HHAAMN O=C(NCCN(CCc1ccccc1)Cc1ccco1)N[C@@H]1COc2ccccc2C1 ZINC000015787326 569007868 /nfs/dbraw/zinc/00/78/68/569007868.db2.gz STGQYHAYOMRZSY-QFIPXVFZSA-N 0 1 419.525 3.627 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)c(C)c1C ZINC000104424753 569008706 /nfs/dbraw/zinc/00/87/06/569008706.db2.gz ADDCXGLYTGBESL-OAQYLSRUSA-N 0 1 404.501 3.659 50 0 HHAAMN CC(C)OC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982649 569009855 /nfs/dbraw/zinc/00/98/55/569009855.db2.gz KWSJNFCNEDZEJS-VQTJNVASSA-N 0 1 400.494 3.607 50 0 HHAAMN COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC ZINC000006125894 569009874 /nfs/dbraw/zinc/00/98/74/569009874.db2.gz ITMFKGKVXRUJLU-UHFFFAOYSA-N 0 1 414.521 3.756 50 0 HHAAMN Cc1ccc2nc(SCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)[nH]c2c1 ZINC000006292127 569037966 /nfs/dbraw/zinc/03/79/66/569037966.db2.gz ITIGWRIRNSAKCV-UHFFFAOYSA-N 0 1 415.540 3.631 50 0 HHAAMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000006316031 569040278 /nfs/dbraw/zinc/04/02/78/569040278.db2.gz ANFXLLBVWLHQKB-UHFFFAOYSA-N 0 1 404.669 3.690 50 0 HHAAMN C[C@@H]1CCC[C@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)N2)[C@@H]1C ZINC000006389559 569046389 /nfs/dbraw/zinc/04/63/89/569046389.db2.gz WVLBZGJIXNDCCS-OAGGEKHMSA-N 0 1 405.564 3.756 50 0 HHAAMN CCN(CC)[C@@H](CNC(=O)CCNC(=O)c1ccsc1)c1ccccc1Cl ZINC000013004235 569049479 /nfs/dbraw/zinc/04/94/79/569049479.db2.gz LYNSOFMUHLFHOK-SFHVURJKSA-N 0 1 407.967 3.721 50 0 HHAAMN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570500 569052122 /nfs/dbraw/zinc/05/21/22/569052122.db2.gz BAMQVPYWMNHYKI-KEAGSLSDSA-N 0 1 409.574 3.811 50 0 HHAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(F)cc4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000239038589 569053967 /nfs/dbraw/zinc/05/39/67/569053967.db2.gz DMTLHMBJHHIBLA-VSKRKVRLSA-N 0 1 418.424 3.885 50 0 HHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000006471290 569057967 /nfs/dbraw/zinc/05/79/67/569057967.db2.gz FPBCMMSLJMPIPM-UHFFFAOYSA-N 0 1 413.293 3.607 50 0 HHAAMN CCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@@H](c2ccco2)N(CC)CC)s1 ZINC000089289886 569058038 /nfs/dbraw/zinc/05/80/38/569058038.db2.gz PYZLSYXOQDDPCN-SJORKVTESA-N 0 1 406.596 3.799 50 0 HHAAMN C[C@@H]1C[C@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@@]21C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000036056344 569084523 /nfs/dbraw/zinc/08/45/23/569084523.db2.gz ONVIKMVYVZZACB-OKAYXYTKSA-N 0 1 421.472 3.502 50 0 HHAAMN CCOC(=O)c1ccc(Nc2ncccc2S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000064757623 569091101 /nfs/dbraw/zinc/09/11/01/569091101.db2.gz QEYKCFQIPRZXAO-UHFFFAOYSA-N 0 1 415.446 3.942 50 0 HHAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1 ZINC000064844647 569107863 /nfs/dbraw/zinc/10/78/63/569107863.db2.gz MXODOQJHMOYMAX-UHFFFAOYSA-N 0 1 403.485 3.987 50 0 HHAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)c1 ZINC000006753045 569111834 /nfs/dbraw/zinc/11/18/34/569111834.db2.gz BKICMSNMERHOHP-HSZRJFAPSA-N 0 1 421.497 3.889 50 0 HHAAMN CC(C)c1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000064969542 569138081 /nfs/dbraw/zinc/13/80/81/569138081.db2.gz AAFQQVITQPBPOU-UHFFFAOYSA-N 0 1 404.923 3.770 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2)CC1 ZINC000036341574 569141965 /nfs/dbraw/zinc/14/19/65/569141965.db2.gz ODWRDNJPDUPPOR-XMMPIXPASA-N 0 1 404.558 3.619 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036343591 569142397 /nfs/dbraw/zinc/14/23/97/569142397.db2.gz SSIIZLKBNNQIGH-RUZDIDTESA-N 0 1 418.585 3.927 50 0 HHAAMN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CCCC2)cc1 ZINC000036344023 569142525 /nfs/dbraw/zinc/14/25/25/569142525.db2.gz CNGKKYQIACHCLB-HSZRJFAPSA-N 0 1 407.514 3.867 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344588 569142627 /nfs/dbraw/zinc/14/26/27/569142627.db2.gz DIXWPYZEDQDLJO-DEOSSOPVSA-N 0 1 404.558 3.619 50 0 HHAAMN COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)Nc1cccc(O)c1 ZINC000064988091 569145670 /nfs/dbraw/zinc/14/56/70/569145670.db2.gz ITTJFPXVHACEBO-UHFFFAOYSA-N 0 1 423.450 3.919 50 0 HHAAMN Cc1cccc(N2CCN(CCCNC(=O)c3cc(F)c(F)cc3Cl)CC2)c1 ZINC000036397325 569169921 /nfs/dbraw/zinc/16/99/21/569169921.db2.gz KPKKVAQXLSUODH-UHFFFAOYSA-N 0 1 407.892 3.869 50 0 HHAAMN Cc1nnc(-c2csc(S(=O)(=O)Nc3ccc(Br)cc3F)c2)o1 ZINC000065098545 569176786 /nfs/dbraw/zinc/17/67/86/569176786.db2.gz JQWZOSKYVAOJSV-UHFFFAOYSA-N 0 1 418.269 3.809 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n1C ZINC000065194177 569192655 /nfs/dbraw/zinc/19/26/55/569192655.db2.gz QBGVRRQPMNUANJ-UHFFFAOYSA-N 0 1 404.467 3.818 50 0 HHAAMN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3cc(Cl)ccc3F)cc2C1 ZINC000065196189 569194476 /nfs/dbraw/zinc/19/44/76/569194476.db2.gz FWBDJHZNHBVQEN-UHFFFAOYSA-N 0 1 402.900 3.636 50 0 HHAAMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000065492783 569232395 /nfs/dbraw/zinc/23/23/95/569232395.db2.gz QMSFHZMUMDOXKD-FQEVSTJZSA-N 0 1 410.537 3.616 50 0 HHAAMN CCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(C)cc3)c2O)cc1 ZINC000007424119 569237948 /nfs/dbraw/zinc/23/79/48/569237948.db2.gz WZINIVRHVHEPEB-UHFFFAOYSA-N 0 1 402.454 3.982 50 0 HHAAMN Cc1nn(-c2ccccc2)nc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000014515261 569260273 /nfs/dbraw/zinc/26/02/73/569260273.db2.gz STZGTILMZWGVMO-IBGZPJMESA-N 0 1 409.559 3.840 50 0 HHAAMN COc1cc(OC)cc(Oc2ccc(CN[C@@H]3CCN(CC(F)(F)F)C3=O)cc2)c1 ZINC000237359949 569281847 /nfs/dbraw/zinc/28/18/47/569281847.db2.gz PGAVOGHVXVHVKS-LJQANCHMSA-N 0 1 424.419 3.749 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCCC[C@@H]1C ZINC000002294138 569369329 /nfs/dbraw/zinc/36/93/29/569369329.db2.gz ARGLLOMHEHTLDT-NSHDSACASA-N 0 1 408.296 3.530 50 0 HHAAMN C[C@H](OC(=O)c1cc2[nH]cnc2cc1F)c1nc2cc(Br)cnc2[nH]1 ZINC000328596532 569416152 /nfs/dbraw/zinc/41/61/52/569416152.db2.gz AGEDFCBNEYMCEE-ZETCQYMHSA-N 0 1 404.199 3.654 50 0 HHAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000079024378 569424602 /nfs/dbraw/zinc/42/46/02/569424602.db2.gz BUIGRYTWMJQJQY-FCEWJHQRSA-N 0 1 418.559 3.531 50 0 HHAAMN Cc1cccc(N2CCN(C(=O)c3[nH]nnc3Nc3ccc(Cl)cc3)CC2)c1C ZINC000067284320 571063129 /nfs/dbraw/zinc/06/31/29/571063129.db2.gz CZDVKWQKIWRQMB-UHFFFAOYSA-N 0 1 410.909 3.781 50 0 HHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1nccnc1-c1nc2ccccc2s1 ZINC000008778267 571118496 /nfs/dbraw/zinc/11/84/96/571118496.db2.gz CXCHDJUPYZTQEY-MRXNPFEDSA-N 0 1 419.510 3.913 50 0 HHAAMN O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008864271 571128950 /nfs/dbraw/zinc/12/89/50/571128950.db2.gz QKVXCRASHYZCSE-MRXNPFEDSA-N 0 1 411.449 3.659 50 0 HHAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1F ZINC000008893353 571143118 /nfs/dbraw/zinc/14/31/18/571143118.db2.gz YLFWZWWLHLRHTG-LJQANCHMSA-N 0 1 403.523 3.868 50 0 HHAAMN CN1CCN(Cc2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CC1 ZINC000040089763 571159646 /nfs/dbraw/zinc/15/96/46/571159646.db2.gz KQHWZFFWIJXGRW-UHFFFAOYSA-N 0 1 406.299 3.588 50 0 HHAAMN COc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1N1CCCCC1=O ZINC000040121329 571177238 /nfs/dbraw/zinc/17/72/38/571177238.db2.gz JCOKNYUPHQDVAL-QGZVFWFLSA-N 0 1 416.547 3.698 50 0 HHAAMN CCOc1cccc2c1OCC(C(=O)Nc1ccccc1N1CCN(CC)CC1)=C2 ZINC000040130770 571182650 /nfs/dbraw/zinc/18/26/50/571182650.db2.gz DEUOAFPXPYINIH-UHFFFAOYSA-N 0 1 407.514 3.642 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000008983149 571205217 /nfs/dbraw/zinc/20/52/17/571205217.db2.gz CFSNSGXULNVHFT-UHFFFAOYSA-N 0 1 420.487 3.785 50 0 HHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009168967 571233477 /nfs/dbraw/zinc/23/34/77/571233477.db2.gz DMLVRZQOYIQEBO-UHFFFAOYSA-N 0 1 404.488 3.552 50 0 HHAAMN CCN1c2cc(NS(=O)(=O)c3cc(C)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009170606 571233670 /nfs/dbraw/zinc/23/36/70/571233670.db2.gz ZTCYNKALRISVCN-UHFFFAOYSA-N 0 1 418.515 3.576 50 0 HHAAMN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009446731 571259600 /nfs/dbraw/zinc/25/96/00/571259600.db2.gz YBMMTGPAAXNDSS-RDJZCZTQSA-N 0 1 423.538 3.909 50 0 HHAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009468280 571261287 /nfs/dbraw/zinc/26/12/87/571261287.db2.gz ZJIQKVNELIVFNI-UHFFFAOYSA-N 0 1 421.478 3.624 50 0 HHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000009515655 571264936 /nfs/dbraw/zinc/26/49/36/571264936.db2.gz QRWIXXOSXPJGSH-GOSISDBHSA-N 0 1 401.894 3.627 50 0 HHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)nc4n3)cc2)c1 ZINC000009572185 571269122 /nfs/dbraw/zinc/26/91/22/571269122.db2.gz LMJDJCXYIKLOJC-UHFFFAOYSA-N 0 1 424.482 3.523 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N2CCCCC2)cc1 ZINC000009581569 571270896 /nfs/dbraw/zinc/27/08/96/571270896.db2.gz IQVAXQUAEFVSMJ-QHCPKHFHSA-N 0 1 421.541 3.779 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)n1C ZINC000009685053 571279737 /nfs/dbraw/zinc/27/97/37/571279737.db2.gz LGQGQHOCZKVJLT-UHFFFAOYSA-N 0 1 403.548 3.686 50 0 HHAAMN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)CC1 ZINC000009946686 571291252 /nfs/dbraw/zinc/29/12/52/571291252.db2.gz ALRPTPWIAOZTOU-INIZCTEOSA-N 0 1 415.559 3.591 50 0 HHAAMN COc1ccc(-c2cc(-c3nc(-c4cccc(OC)c4OC)no3)[nH]n2)c(OC)c1 ZINC000010273138 571299048 /nfs/dbraw/zinc/29/90/48/571299048.db2.gz LBUNZWWBHZWPJA-UHFFFAOYSA-N 0 1 408.414 3.828 50 0 HHAAMN Cc1ccc(N2C(=O)C3=C(C(=O)c4ccccc4)NN(c4ccccc4)C3C2=O)cc1 ZINC000100486636 571314191 /nfs/dbraw/zinc/31/41/91/571314191.db2.gz DMUYGKQUBDIZPA-RBBKRZOGSA-N 0 1 409.445 3.612 50 0 HHAAMN COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)cs2)cc1 ZINC000002850574 960475092 /nfs/dbraw/zinc/47/50/92/960475092.db2.gz ZBPQUNMVVILBPY-UHFFFAOYSA-N 0 1 418.496 3.818 50 0 HHAAMN O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1CCCn1cccn1 ZINC000011820813 962199477 /nfs/dbraw/zinc/19/94/77/962199477.db2.gz KFGMFWZGEORNEF-OAQYLSRUSA-N 0 1 405.502 3.954 50 0 HHAAMN COc1ccc2nc(CCN(C)C(=O)c3cc(Cc4ccc(F)cc4)no3)[nH]c2c1 ZINC000011841297 962200811 /nfs/dbraw/zinc/20/08/11/962200811.db2.gz UFZLQGKBCAZKOV-UHFFFAOYSA-N 0 1 408.433 3.604 50 0 HHAAMN COc1ccc(-c2ncc(CN3CCC(CO)(C[C@@H]4CCCCO4)CC3)cn2)cc1 ZINC000011934979 962211040 /nfs/dbraw/zinc/21/10/40/962211040.db2.gz CYVVINVVXOFQSQ-QFIPXVFZSA-N 0 1 411.546 3.686 50 0 HHAAMN CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@@H](CNC(=O)CN(C)C)C4)s1 ZINC000011963919 962215799 /nfs/dbraw/zinc/21/57/99/962215799.db2.gz WKSGMSTYHXWBLH-QGZVFWFLSA-N 0 1 408.523 3.752 50 0 HHAAMN O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(Cc1cccnc1)CC2 ZINC000014882146 962597492 /nfs/dbraw/zinc/59/74/92/962597492.db2.gz LNOGCZWNUYEYNL-HSZRJFAPSA-N 0 1 419.569 3.548 50 0 HHAAMN COc1cccc(Cn2c3cc(F)ccc3cc(CNCc3cccnc3)c2=O)c1 ZINC000014995901 962620909 /nfs/dbraw/zinc/62/09/09/962620909.db2.gz UQMGGBFYJNWUOS-UHFFFAOYSA-N 0 1 403.457 3.882 50 0 HHAAMN O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000015064327 962645656 /nfs/dbraw/zinc/64/56/56/962645656.db2.gz LRZLDWQQLNGPAR-QHCPKHFHSA-N 0 1 421.520 3.617 50 0 HHAAMN c1ccc(COc2cccc(CN3CCc4nnc([C@@H]5CCCO5)n4CC3)c2)cc1 ZINC000019300360 963360938 /nfs/dbraw/zinc/36/09/38/963360938.db2.gz ZMZILQYCEWKNGE-QFIPXVFZSA-N 0 1 404.514 3.767 50 0 HHAAMN COc1ccccc1N1C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)N3CCC[C@@]23C1=O ZINC000019812486 963375243 /nfs/dbraw/zinc/37/52/43/963375243.db2.gz OIOLYTDSNIQXKQ-PZGSVQSZSA-N 0 1 414.509 3.823 50 0 HHAAMN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCCN2C)C3)c1 ZINC000039353429 966492342 /nfs/dbraw/zinc/49/23/42/966492342.db2.gz LWHZBPGVISUMPF-XXBNENTESA-N 0 1 424.516 3.908 50 0 HHAAMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1c1nc(CCOCC2CCCC2)no1 ZINC000169791819 970483040 /nfs/dbraw/zinc/48/30/40/970483040.db2.gz KEVQUEFBSTUCOS-SFHVURJKSA-N 0 1 409.490 3.673 50 0 HHAAMN COc1cc(CN2CCC(C)(c3noc(C4CCOCC4)n3)CC2)cc(OC)c1 ZINC000253411628 970560448 /nfs/dbraw/zinc/56/04/48/970560448.db2.gz OVNFVXXJTYYOSH-UHFFFAOYSA-N 0 1 401.507 3.535 50 0 HHAAMN CCN1CCN(c2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)CC1 ZINC000002357305 132253233 /nfs/dbraw/zinc/25/32/33/132253233.db2.gz XGEJXXXMFYVAAY-UHFFFAOYSA-N 0 1 408.571 3.858 50 0 HHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000004711659 132285124 /nfs/dbraw/zinc/28/51/24/132285124.db2.gz VOMNAYBCQYKAHU-UHFFFAOYSA-N 0 1 401.894 3.521 50 0 HHAAMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000007224759 132322997 /nfs/dbraw/zinc/32/29/97/132322997.db2.gz LYEIGIGFCCLQFD-HXUWFJFHSA-N 0 1 407.558 3.805 50 0 HHAAMN Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c(C)c1 ZINC000011697982 132350002 /nfs/dbraw/zinc/35/00/02/132350002.db2.gz ULHHRLHDMMORHE-UHFFFAOYSA-N 0 1 403.490 3.586 50 0 HHAAMN COc1ccc(OC)c2nc(N3CCOCC3)c(CNCc3ccc(F)cc3)cc12 ZINC000012050573 132353193 /nfs/dbraw/zinc/35/31/93/132353193.db2.gz RZPUHLSLPNUVSO-UHFFFAOYSA-N 0 1 411.477 3.518 50 0 HHAAMN Cc1cc(NC(=O)c2ccc(Br)cc2F)ccc1N1CCN(C)CC1 ZINC000012522428 132361663 /nfs/dbraw/zinc/36/16/63/132361663.db2.gz OWSLDQIYQSCELW-UHFFFAOYSA-N 0 1 406.299 3.901 50 0 HHAAMN Cc1noc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)cc2)n1 ZINC000012546209 132362971 /nfs/dbraw/zinc/36/29/71/132362971.db2.gz CMHLYAQAINKFHX-UHFFFAOYSA-N 0 1 411.893 3.703 50 0 HHAAMN O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023114564 132477487 /nfs/dbraw/zinc/47/74/87/132477487.db2.gz NFTBHWHEEJLRLO-ZKTHROLGSA-N 0 1 404.982 3.808 50 0 HHAAMN CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCCCC2)cc1 ZINC000045966563 519012445 /nfs/dbraw/zinc/01/24/45/519012445.db2.gz VAOPNXPRQRZJGH-UHFFFAOYSA-N 0 1 413.606 3.971 50 0 HHAAMN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(Cc3ccccc3)CC1)n2C ZINC000022804820 519878760 /nfs/dbraw/zinc/87/87/60/519878760.db2.gz CJMBBANRMBPFOO-UHFFFAOYSA-N 0 1 405.546 3.630 50 0 HHAAMN CN(C)[C@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1cccc(F)c1 ZINC000032730314 522069435 /nfs/dbraw/zinc/06/94/35/522069435.db2.gz HMHVMKPFYVQSTE-GOSISDBHSA-N 0 1 419.294 3.783 50 0 HHAAMN Cc1cc(CN2CCC(CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C)o1 ZINC000043954278 524675349 /nfs/dbraw/zinc/67/53/49/524675349.db2.gz ANKHREUARDKFLA-UHFFFAOYSA-N 0 1 414.930 3.879 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCCC1 ZINC000032902432 524793781 /nfs/dbraw/zinc/79/37/81/524793781.db2.gz QJKPUTBLZSBBGT-KRWDZBQOSA-N 0 1 423.435 3.598 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)N2CCCCC2)cc1 ZINC000032841502 525358977 /nfs/dbraw/zinc/35/89/77/525358977.db2.gz LVIARDWQSZQTOX-QFIPXVFZSA-N 0 1 407.514 3.537 50 0 HHAAMN COc1cccc(CN(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1OC ZINC000032870767 525911537 /nfs/dbraw/zinc/91/15/37/525911537.db2.gz XJCXMVKQDLNXRE-UHFFFAOYSA-N 0 1 422.529 3.967 50 0 HHAAMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000053991269 525947040 /nfs/dbraw/zinc/94/70/40/525947040.db2.gz PLDCLOUWQDUWQB-AWEZNQCLSA-N 0 1 408.329 3.937 50 0 HHAAMN C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Cl)c1)n1cccn1 ZINC000032600409 526157801 /nfs/dbraw/zinc/15/78/01/526157801.db2.gz ODJKHHJEFOOKNC-CYBMUJFWSA-N 0 1 404.879 3.537 50 0 HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(Cl)c1Cl ZINC000009254516 557044217 /nfs/dbraw/zinc/04/42/17/557044217.db2.gz WSOJPHGCQMKJES-UHFFFAOYSA-N 0 1 423.281 3.837 50 0 HHAAMN CCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C1CC1 ZINC000034831239 557466696 /nfs/dbraw/zinc/46/66/96/557466696.db2.gz LNKBXUKBXNSQPH-UHFFFAOYSA-N 0 1 409.578 3.614 50 0 HHAAMN O=C(N[C@H]1CCCc2ccccc21)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2 ZINC000034789609 557469726 /nfs/dbraw/zinc/46/97/26/557469726.db2.gz DNPUILFRAJVQAR-FQEVSTJZSA-N 0 1 418.472 3.555 50 0 HHAAMN CCc1n[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)c1cccc(OC)c1 ZINC000034794963 557471000 /nfs/dbraw/zinc/47/10/00/557471000.db2.gz HRMWNCXWYZMZJG-UHFFFAOYSA-N 0 1 411.458 3.926 50 0 HHAAMN Cc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N[C@@H]4CCCc5ccccc54)c3C2)c1 ZINC000034797183 557472381 /nfs/dbraw/zinc/47/23/81/557472381.db2.gz AIVKINWCZHHISG-OAQYLSRUSA-N 0 1 414.509 3.724 50 0 HHAAMN CC[C@@H](CO)NCc1cc(OC)c(OCCc2ccccc2)cc1Br ZINC000005065281 557633578 /nfs/dbraw/zinc/63/35/78/557633578.db2.gz HCQNABIGGQPROO-KRWDZBQOSA-N 0 1 408.336 3.940 50 0 HHAAMN O=C(Nc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000006270527 557697146 /nfs/dbraw/zinc/69/71/46/557697146.db2.gz RCQMJPYOVWEIMO-UHFFFAOYSA-N 0 1 414.414 3.608 50 0 HHAAMN CCCCC(=O)N[C@@](Nc1nc2ccc(F)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009320678 557836597 /nfs/dbraw/zinc/83/65/97/557836597.db2.gz LXCHKJVKUPIUAL-MRXNPFEDSA-N 0 1 421.416 3.975 50 0 HHAAMN COc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3nccs3)[nH]n2)c(Cl)c1 ZINC000011661975 558265980 /nfs/dbraw/zinc/26/59/80/558265980.db2.gz GINBNYCZNOTZEW-NSHDSACASA-N 0 1 406.895 3.940 50 0 HHAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(Cc4ccc(F)cc4)nn3)[nH]c2c1 ZINC000011664698 558268098 /nfs/dbraw/zinc/26/80/98/558268098.db2.gz WRNRACPDMWLVSN-HXUWFJFHSA-N 0 1 404.449 3.628 50 0 HHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000011713226 558271470 /nfs/dbraw/zinc/27/14/70/558271470.db2.gz OXHHSAFIKQUMSV-KRWDZBQOSA-N 0 1 415.534 3.748 50 0 HHAAMN COCCNC(=O)c1cccc(OC2CCN(Cc3cccc(SC)c3)CC2)c1 ZINC000011758928 558273186 /nfs/dbraw/zinc/27/31/86/558273186.db2.gz GQUIBJMBIMFMDA-UHFFFAOYSA-N 0 1 414.571 3.828 50 0 HHAAMN COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000019772655 558280248 /nfs/dbraw/zinc/28/02/48/558280248.db2.gz NCPYNQDHIIBZIX-VMIIQTFKSA-N 0 1 404.595 3.656 50 0 HHAAMN CCCCCc1c([O-])nc(SCC[NH+](CC)CC)n(C(=O)c2ccccc2)c1=O ZINC000019789089 558282018 /nfs/dbraw/zinc/28/20/18/558282018.db2.gz ZMAZFFOIWHFNDE-UHFFFAOYSA-N 0 1 417.575 3.804 50 0 HHAAMN COc1cccc(NC(=O)CCC2CCN(Cc3cnc(SC)nc3)CC2)c1 ZINC000011838884 558285677 /nfs/dbraw/zinc/28/56/77/558285677.db2.gz CVMSQNMUUULUHQ-UHFFFAOYSA-N 0 1 400.548 3.838 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)c(C)c1C ZINC000019838175 558293304 /nfs/dbraw/zinc/29/33/04/558293304.db2.gz PESUMELBLDGGOS-QFIPXVFZSA-N 0 1 404.501 3.659 50 0 HHAAMN CC[C@H]1CN(CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000011910152 558296627 /nfs/dbraw/zinc/29/66/27/558296627.db2.gz JJNMIPRSAJXCLP-PKOBYXMFSA-N 0 1 415.559 3.879 50 0 HHAAMN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccncc2)CC1 ZINC000011937024 558300890 /nfs/dbraw/zinc/30/08/90/558300890.db2.gz KDOKDMPGVSKGLZ-UHFFFAOYSA-N 0 1 405.502 3.523 50 0 HHAAMN O=C1CCN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccccc1F ZINC000011964281 558304025 /nfs/dbraw/zinc/30/40/25/558304025.db2.gz UHGWSMDMEJZCIL-UHFFFAOYSA-N 0 1 406.461 3.643 50 0 HHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 ZINC000012206896 558352963 /nfs/dbraw/zinc/35/29/63/558352963.db2.gz IJPWWTPFLGHENV-KRWDZBQOSA-N 0 1 403.498 3.878 50 0 HHAAMN Cc1ccc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC4)CC2)cc1Cl ZINC000020406648 558360159 /nfs/dbraw/zinc/36/01/59/558360159.db2.gz VNWNWNDELPKDCU-NRFANRHFSA-N 0 1 400.950 3.699 50 0 HHAAMN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1Cl ZINC000020406646 558360236 /nfs/dbraw/zinc/36/02/36/558360236.db2.gz VNWNWNDELPKDCU-OAQYLSRUSA-N 0 1 400.950 3.699 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1C ZINC000020450308 558365261 /nfs/dbraw/zinc/36/52/61/558365261.db2.gz YYJVJNXVGSRYGI-QHCPKHFHSA-N 0 1 405.542 3.621 50 0 HHAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000012466715 558420412 /nfs/dbraw/zinc/42/04/12/558420412.db2.gz XWCUHMRLOGGXER-UHFFFAOYSA-N 0 1 413.514 3.797 50 0 HHAAMN CN(c1ccccc1)c1ccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000020906381 558421165 /nfs/dbraw/zinc/42/11/65/558421165.db2.gz UYVDKTJVAJMTOE-QFIPXVFZSA-N 0 1 403.530 3.956 50 0 HHAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000004345183 558427236 /nfs/dbraw/zinc/42/72/36/558427236.db2.gz VVHOHYAEOBCUFR-STZFKDTASA-N 0 1 416.481 3.932 50 0 HHAAMN COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000020998659 558427376 /nfs/dbraw/zinc/42/73/76/558427376.db2.gz XMJLNBZSCFHGRD-KRWDZBQOSA-N 0 1 418.969 3.699 50 0 HHAAMN CCCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCCN24)c(C)n1 ZINC000012576206 558430997 /nfs/dbraw/zinc/43/09/97/558430997.db2.gz IJQVMOVPBUIEEH-APTRMMRNSA-N 0 1 408.546 3.548 50 0 HHAAMN COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000012593407 558436651 /nfs/dbraw/zinc/43/66/51/558436651.db2.gz AOYUARWXDXOVQF-QGZVFWFLSA-N 0 1 403.906 3.815 50 0 HHAAMN CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c(C)n1 ZINC000012703389 558448481 /nfs/dbraw/zinc/44/84/81/558448481.db2.gz VHVZVWDPTHDHJN-PTLVVNQVSA-N 0 1 408.546 3.548 50 0 HHAAMN CCc1ccc([C@H](C)NCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1 ZINC000013039868 558506353 /nfs/dbraw/zinc/50/63/53/558506353.db2.gz AYTMVVOWBVRLHY-INIZCTEOSA-N 0 1 414.575 3.720 50 0 HHAAMN CCN1CCN([C@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000022787453 558511234 /nfs/dbraw/zinc/51/12/34/558511234.db2.gz WWVZESQVRBSWNQ-QGZVFWFLSA-N 0 1 408.571 3.852 50 0 HHAAMN CCOc1cc2c(cc1CN[C@@H](CN1CCOCC1)c1ccc(C)cc1)O[C@H](C)C2 ZINC000022804518 558513598 /nfs/dbraw/zinc/51/35/98/558513598.db2.gz DORQMBXFLIFGAS-XXBNENTESA-N 0 1 410.558 3.880 50 0 HHAAMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 ZINC000024259709 558593668 /nfs/dbraw/zinc/59/36/68/558593668.db2.gz UDKABSUWSOIJAX-UHFFFAOYSA-N 0 1 424.478 3.835 50 0 HHAAMN O=C(CN1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1cccc2ccccc21 ZINC000004477312 558598137 /nfs/dbraw/zinc/59/81/37/558598137.db2.gz GWRQTNYZUQLEDR-UHFFFAOYSA-N 0 1 418.526 3.830 50 0 HHAAMN COc1cccc(NC(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1 ZINC000004512900 558627841 /nfs/dbraw/zinc/62/78/41/558627841.db2.gz DOKZQFDGTJYMRL-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN Cc1ccc(C)n1CCN1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000025463275 558641730 /nfs/dbraw/zinc/64/17/30/558641730.db2.gz JDIIAXYRVIWNEW-UHFFFAOYSA-N 0 1 408.518 3.721 50 0 HHAAMN O=C(CCN1CCC[C@@H]1C(=O)NCc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000026134709 558656369 /nfs/dbraw/zinc/65/63/69/558656369.db2.gz SCLMEMAFAJZUQU-QGZVFWFLSA-N 0 1 410.301 3.696 50 0 HHAAMN C[C@H](CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1 ZINC000026173139 558656845 /nfs/dbraw/zinc/65/68/45/558656845.db2.gz WYTWCMWAKPFZQN-QZTJIDSGSA-N 0 1 420.557 3.842 50 0 HHAAMN O=C([O-])[C@@H]1CCC[N@H+]1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000014632668 558662483 /nfs/dbraw/zinc/66/24/83/558662483.db2.gz BHVHQIAGXJUFQW-QHCPKHFHSA-N 0 1 420.509 3.949 50 0 HHAAMN COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027667520 558680035 /nfs/dbraw/zinc/68/00/35/558680035.db2.gz ANKLGLQNOJMSSY-VGSWGCGISA-N 0 1 400.494 3.945 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000028813533 558705142 /nfs/dbraw/zinc/70/51/42/558705142.db2.gz JHCQKLPRLPRCBP-UHFFFAOYSA-N 0 1 421.478 3.777 50 0 HHAAMN O=C(c1ccco1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000015066500 558709405 /nfs/dbraw/zinc/70/94/05/558709405.db2.gz ZMVVZYZJWLEGKD-HXUWFJFHSA-N 0 1 400.494 3.952 50 0 HHAAMN COC[C@@H]1CCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 ZINC000015069051 558711424 /nfs/dbraw/zinc/71/14/24/558711424.db2.gz MDVIDXPFXZMFLX-OAQYLSRUSA-N 0 1 423.557 3.542 50 0 HHAAMN O=C(NCc1cccc(F)c1)N1CC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000065266359 558745404 /nfs/dbraw/zinc/74/54/04/558745404.db2.gz QUPMZFRALGJECI-HSZRJFAPSA-N 0 1 422.508 3.563 50 0 HHAAMN COc1cc(C)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1C ZINC000004580656 558766771 /nfs/dbraw/zinc/76/67/71/558766771.db2.gz AKXAWFUPRQISDT-UHFFFAOYSA-N 0 1 418.603 3.587 50 0 HHAAMN CC(C)(C)OC(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000016123847 558772855 /nfs/dbraw/zinc/77/28/55/558772855.db2.gz MULAGSYVTBFWGO-OAHLLOKOSA-N 0 1 413.312 3.518 50 0 HHAAMN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000016123847 558772854 /nfs/dbraw/zinc/77/28/54/558772854.db2.gz MULAGSYVTBFWGO-OAHLLOKOSA-N 0 1 413.312 3.518 50 0 HHAAMN COc1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc(OC)c1O ZINC000016663261 558798356 /nfs/dbraw/zinc/79/83/56/558798356.db2.gz VDBXUZRKJFFLDE-UHFFFAOYSA-N 0 1 422.319 3.656 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2ccc(OCCO)cc2C(F)(F)F)c(Cl)c1 ZINC000058107659 558899312 /nfs/dbraw/zinc/89/93/12/558899312.db2.gz XQUISNJPSHCBQX-UHFFFAOYSA-N 0 1 409.813 3.839 50 0 HHAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000033173843 558902187 /nfs/dbraw/zinc/90/21/87/558902187.db2.gz BGTYANVCHUYLLB-UHFFFAOYSA-N 0 1 415.462 3.986 50 0 HHAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(C)[C@H](CCO)C1 ZINC000071638822 558906205 /nfs/dbraw/zinc/90/62/05/558906205.db2.gz AZIKMJIKWWAHES-HXUWFJFHSA-N 0 1 407.514 3.941 50 0 HHAAMN CCCN1Cc2ccc(NC(=O)Cn3cnc4c5ccccc5oc4c3=O)cc2C1 ZINC000058174843 558909002 /nfs/dbraw/zinc/90/90/02/558909002.db2.gz QQPACVIBYDPIMP-UHFFFAOYSA-N 0 1 402.454 3.507 50 0 HHAAMN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 ZINC000058964674 558931123 /nfs/dbraw/zinc/93/11/23/558931123.db2.gz PQKWEPSWBMLCKN-GOSISDBHSA-N 0 1 414.571 3.642 50 0 HHAAMN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000019606734 558946543 /nfs/dbraw/zinc/94/65/43/558946543.db2.gz JTUAGOCWIOINHR-NRFANRHFSA-N 0 1 405.539 3.736 50 0 HHAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000022025146 558985064 /nfs/dbraw/zinc/98/50/64/558985064.db2.gz MRZIBVNMCGQSKY-GOSISDBHSA-N 0 1 421.570 3.605 50 0 HHAAMN COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCCN(CCCO)C4)nc12 ZINC000067446801 558986559 /nfs/dbraw/zinc/98/65/59/558986559.db2.gz GNTFIIPHPAWTPF-UHFFFAOYSA-N 0 1 408.498 3.804 50 0 HHAAMN Cc1nc([C@@H](C)NC(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)n[nH]1 ZINC000067446991 558986592 /nfs/dbraw/zinc/98/65/92/558986592.db2.gz KTTFVGGUFBNTHM-SECBINFHSA-N 0 1 420.420 3.999 50 0 HHAAMN Cc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c(C)c1 ZINC000067620859 558989557 /nfs/dbraw/zinc/98/95/57/558989557.db2.gz UNRVSTUVJZMADN-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN O=C1C[C@@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000097466835 559118933 /nfs/dbraw/zinc/11/89/33/559118933.db2.gz XBRSNWHJKFZNMO-OAHLLOKOSA-N 0 1 415.223 3.930 50 0 HHAAMN CC1(C)CCCN1Cc1cn(C2CCN(C(=O)Nc3ccccc3F)CC2)nn1 ZINC000023619580 559178267 /nfs/dbraw/zinc/17/82/67/559178267.db2.gz BPTGMFAFVUPPGJ-UHFFFAOYSA-N 0 1 400.502 3.661 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000004860741 559193134 /nfs/dbraw/zinc/19/31/34/559193134.db2.gz GWSSOODOEXHBJQ-NEPJUHHUSA-N 0 1 422.323 3.776 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C ZINC000004863402 559193441 /nfs/dbraw/zinc/19/34/41/559193441.db2.gz VFUQTHVFXSUIAI-HOTGVXAUSA-N 0 1 416.543 3.923 50 0 HHAAMN COCCCNC(=O)CSc1[nH]c(-c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000004927833 559208235 /nfs/dbraw/zinc/20/82/35/559208235.db2.gz RSOSBSCMQKNPMY-UHFFFAOYSA-N 0 1 411.527 3.997 50 0 HHAAMN COc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)c(F)c1 ZINC000011878389 559265034 /nfs/dbraw/zinc/26/50/34/559265034.db2.gz UTFAFTGQGQVZJT-WYRQLCSISA-N 0 1 406.501 3.740 50 0 HHAAMN CCCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 ZINC000011916816 559268151 /nfs/dbraw/zinc/26/81/51/559268151.db2.gz JYDNHJQSADEKGX-UHFFFAOYSA-N 0 1 404.473 3.719 50 0 HHAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(F)cc2)c1 ZINC000005198238 559292135 /nfs/dbraw/zinc/29/21/35/559292135.db2.gz CPYFZZIMSMFEPX-RTWAWAEBSA-N 0 1 400.409 3.887 50 0 HHAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(OC)c1OC ZINC000006364678 560560031 /nfs/dbraw/zinc/56/00/31/560560031.db2.gz MHFLBRDHUQVIMT-IBGZPJMESA-N 0 1 417.531 3.969 50 0 HHAAMN COc1cc(NS(=O)(=O)c2cc(C)c(C)cc2OC)ccc1N1CCCCC1=O ZINC000005329951 560565729 /nfs/dbraw/zinc/56/57/29/560565729.db2.gz ASEDJAYOPDBISW-UHFFFAOYSA-N 0 1 418.515 3.638 50 0 HHAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(O)c1 ZINC000005338886 560567022 /nfs/dbraw/zinc/56/70/22/560567022.db2.gz JENMMZVXVKZBDC-QFIPXVFZSA-N 0 1 407.470 3.848 50 0 HHAAMN CC[C@H](C)[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000005450910 560590100 /nfs/dbraw/zinc/59/01/00/560590100.db2.gz CJVYTXQTAVGNHZ-RXVVDRJESA-N 0 1 409.530 3.603 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005184615 560625227 /nfs/dbraw/zinc/62/52/27/560625227.db2.gz BTNIBCXEECXIDK-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1 ZINC000085690462 560853132 /nfs/dbraw/zinc/85/31/32/560853132.db2.gz ULOINOYFRMLSRG-SFHVURJKSA-N 0 1 403.486 3.525 50 0 HHAAMN Cc1ccccc1C1=NO[C@@H](CN(Cc2cccc(F)c2)C[C@@H](O)COC(C)C)C1 ZINC000104982773 560858966 /nfs/dbraw/zinc/85/89/66/560858966.db2.gz XNJBVESUFGJTCK-FGZHOGPDSA-N 0 1 414.521 3.915 50 0 HHAAMN COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000018249798 560871503 /nfs/dbraw/zinc/87/15/03/560871503.db2.gz IFOXDRSMAQVWRT-UHFFFAOYSA-N 0 1 402.863 3.643 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1F ZINC000048287587 568434640 /nfs/dbraw/zinc/43/46/40/568434640.db2.gz PLPBJSAGRYZIEN-FQEVSTJZSA-N 0 1 406.523 3.586 50 0 HHAAMN CC(C)n1ncc2cc(CNCc3ccccc3CN3CCOCC3)c(Cl)nc21 ZINC000048275571 568435539 /nfs/dbraw/zinc/43/55/39/568435539.db2.gz BEPNESOJWTXSNG-UHFFFAOYSA-N 0 1 413.953 3.788 50 0 HHAAMN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@@H](c1ccco1)N1CCCC1 ZINC000048314956 568438109 /nfs/dbraw/zinc/43/81/09/568438109.db2.gz MNJUJPGVGRFGKA-KRWDZBQOSA-N 0 1 404.894 3.590 50 0 HHAAMN C[C@@H]1Oc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O ZINC000048333879 568439524 /nfs/dbraw/zinc/43/95/24/568439524.db2.gz OEFHPJCBAIWILH-QMMMGPOBSA-N 0 1 420.796 3.879 50 0 HHAAMN Cc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1 ZINC000049406640 568449041 /nfs/dbraw/zinc/44/90/41/568449041.db2.gz VGFWWEXJDLOZPG-UHFFFAOYSA-N 0 1 406.461 3.559 50 0 HHAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)c1 ZINC000006753267 568458458 /nfs/dbraw/zinc/45/84/58/568458458.db2.gz HFKPLOYZKLCXIK-HSZRJFAPSA-N 0 1 412.449 3.937 50 0 HHAAMN COc1ccc(CCN(C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007015234 568468636 /nfs/dbraw/zinc/46/86/36/568468636.db2.gz ZEQJDDZUHBOUKY-QNHAZURESA-N 0 1 400.563 3.652 50 0 HHAAMN NC(=O)CCN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041509 568473285 /nfs/dbraw/zinc/47/32/85/568473285.db2.gz OGAAPGIBCNGJKO-SFHVURJKSA-N 0 1 401.963 3.581 50 0 HHAAMN COc1ccc(CCc2nnc(NC(=O)CCc3c[nH]c4ccccc34)[nH]2)cc1OC ZINC000604419571 568493255 /nfs/dbraw/zinc/49/32/55/568493255.db2.gz FRHBQEHOKLMKNK-UHFFFAOYSA-N 0 1 419.485 3.660 50 0 HHAAMN COc1ccc(CCc2n[nH]c(NC(=O)CCc3c[nH]c4ccccc34)n2)cc1OC ZINC000604419571 568493256 /nfs/dbraw/zinc/49/32/56/568493256.db2.gz FRHBQEHOKLMKNK-UHFFFAOYSA-N 0 1 419.485 3.660 50 0 HHAAMN CCn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21 ZINC000020285098 568596911 /nfs/dbraw/zinc/59/69/11/568596911.db2.gz ZOILQSINXFCIAF-UHFFFAOYSA-N 0 1 413.587 3.590 50 0 HHAAMN Cc1ccn2c(c1)ncc(C(=O)Nc1ccc3nc(-c4cccs4)[nH]c3c1)c2=O ZINC000095393611 568604432 /nfs/dbraw/zinc/60/44/32/568604432.db2.gz ASMJAGYGXJKCJU-UHFFFAOYSA-N 0 1 401.451 3.860 50 0 HHAAMN CN1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000095455677 568616980 /nfs/dbraw/zinc/61/69/80/568616980.db2.gz JHMZUEPWXQNQLN-JOCHJYFZSA-N 0 1 419.635 3.525 50 0 HHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1c1nccs1 ZINC000095957320 568669509 /nfs/dbraw/zinc/66/95/09/568669509.db2.gz XHVYODZHDHAYGA-SFHVURJKSA-N 0 1 404.967 3.546 50 0 HHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)Nc3cc(F)ccc3F)CC2)c1 ZINC000021174704 568676839 /nfs/dbraw/zinc/67/68/39/568676839.db2.gz WOBOCOPPJNKJKG-UHFFFAOYSA-N 0 1 402.489 3.915 50 0 HHAAMN O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000095993084 568678060 /nfs/dbraw/zinc/67/80/60/568678060.db2.gz AGVILMWRMRJMKG-QGZVFWFLSA-N 0 1 411.506 3.670 50 0 HHAAMN CC(C)Cn1c(C[C@@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)nc2cccnc21 ZINC000096124993 568701156 /nfs/dbraw/zinc/70/11/56/568701156.db2.gz OZPVCGANOUXMEO-INIZCTEOSA-N 0 1 402.502 3.668 50 0 HHAAMN COc1cccc(/C=C\C(=O)N2CCN(CCc3ccccc3)CC2)c1OC(F)F ZINC000096129261 568701541 /nfs/dbraw/zinc/70/15/41/568701541.db2.gz ZAQHSPDUHQYMHE-KHPPLWFESA-N 0 1 416.468 3.697 50 0 HHAAMN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c(C)c1 ZINC000096324585 568733977 /nfs/dbraw/zinc/73/39/77/568733977.db2.gz LCNPVGPDOURMOV-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324584 568733979 /nfs/dbraw/zinc/73/39/79/568733979.db2.gz RERNZFWMJMJHQD-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN COc1ccc(NC(=O)c2cccc3[nH]cc(CN4CCSCC4)c32)c(OC)c1 ZINC000096363705 568739547 /nfs/dbraw/zinc/73/95/47/568739547.db2.gz JUEWEXGXCSELQD-UHFFFAOYSA-N 0 1 411.527 3.986 50 0 HHAAMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1 ZINC000022408409 568767524 /nfs/dbraw/zinc/76/75/24/568767524.db2.gz SCQHGTGBOWPQCE-UHFFFAOYSA-N 0 1 405.419 3.928 50 0 HHAAMN Cc1nc2sc([C@@H](c3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022458770 568768132 /nfs/dbraw/zinc/76/81/32/568768132.db2.gz VJYUKFONJUTOSH-HXUWFJFHSA-N 0 1 419.554 3.712 50 0 HHAAMN COC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)c2ccc(Br)cc2)c1 ZINC000057338463 568827110 /nfs/dbraw/zinc/82/71/10/568827110.db2.gz YHDKIIHFFYZXAB-CYBMUJFWSA-N 0 1 405.292 3.833 50 0 HHAAMN COc1ccc(OCCN2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000057386115 568831185 /nfs/dbraw/zinc/83/11/85/568831185.db2.gz ZBEVDDPRHKFZGP-UHFFFAOYSA-N 0 1 424.570 3.780 50 0 HHAAMN O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCc1ccc(Cl)cc1 ZINC000002976006 568832616 /nfs/dbraw/zinc/83/26/16/568832616.db2.gz UARBMZRASHLUCU-UHFFFAOYSA-N 0 1 401.919 3.792 50 0 HHAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)n[nH]2)c(OC)c1 ZINC000057477148 568839544 /nfs/dbraw/zinc/83/95/44/568839544.db2.gz XYTLESMVXBSLMP-UHFFFAOYSA-N 0 1 420.513 3.673 50 0 HHAAMN CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478401 568839748 /nfs/dbraw/zinc/83/97/48/568839748.db2.gz QQPDXCMNKSVIEC-JOCHJYFZSA-N 0 1 407.514 3.552 50 0 HHAAMN O=C([O-])COc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000299802023 568876788 /nfs/dbraw/zinc/87/67/88/568876788.db2.gz ZULPZCAIFJYLDM-UHFFFAOYSA-N 0 1 421.472 3.673 50 0 HHAAMN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000003436023 568902779 /nfs/dbraw/zinc/90/27/79/568902779.db2.gz KCODMQNMUCUWJA-UHFFFAOYSA-N 0 1 417.405 3.734 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1C ZINC000012728938 568921112 /nfs/dbraw/zinc/92/11/12/568921112.db2.gz WHTIEFKMRQCKGV-OAHLLOKOSA-N 0 1 402.516 3.677 50 0 HHAAMN O=c1c2c[nH]nc2nc(SCc2cc3c(cc2Cl)OCO3)n1-c1ccccc1 ZINC000004248577 568953708 /nfs/dbraw/zinc/95/37/08/568953708.db2.gz WZGTZAODHSPSIQ-UHFFFAOYSA-N 0 1 412.858 3.783 50 0 HHAAMN CCOc1ccccc1NC(=O)c1cncc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000004270207 568956552 /nfs/dbraw/zinc/95/65/52/568956552.db2.gz LUJSGILZJSHKSA-UHFFFAOYSA-N 0 1 411.483 3.842 50 0 HHAAMN CCOC(=O)C1C(CN2CCCSc3ccccc32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000008160120 568978943 /nfs/dbraw/zinc/97/89/43/568978943.db2.gz FENUZUICAPAGHV-OAQYLSRUSA-N 0 1 423.538 3.860 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCCC2)cc1 ZINC000008189627 568981028 /nfs/dbraw/zinc/98/10/28/568981028.db2.gz AFTPVPWFJTZJNB-QHCPKHFHSA-N 0 1 421.541 3.779 50 0 HHAAMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2[nH]nnc2c1 ZINC000008232759 568984432 /nfs/dbraw/zinc/98/44/32/568984432.db2.gz ZJPCACPQLNWHQQ-UHFFFAOYSA-N 0 1 406.273 3.756 50 0 HHAAMN COc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccco3)N3CCCC3)cs2)cc1 ZINC000008346289 568994920 /nfs/dbraw/zinc/99/49/20/568994920.db2.gz QRKFVYBFEZRXDP-IBGZPJMESA-N 0 1 411.527 3.908 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cccc(SC)c3)C[C@H]2CCO)cc1C ZINC000104302946 569008257 /nfs/dbraw/zinc/00/82/57/569008257.db2.gz LRRUWWLUROCTBF-OAQYLSRUSA-N 0 1 400.588 3.794 50 0 HHAAMN CSc1ncc(Cl)c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000012867829 569012253 /nfs/dbraw/zinc/01/22/53/569012253.db2.gz DELGJZWQFFOHFB-UHFFFAOYSA-N 0 1 411.358 3.900 50 0 HHAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146409 569014533 /nfs/dbraw/zinc/01/45/33/569014533.db2.gz FIURRRBYUHZKBX-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN COc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccccc2)c1 ZINC000035372939 569033821 /nfs/dbraw/zinc/03/38/21/569033821.db2.gz DZSYDRUJGNAHRL-UHFFFAOYSA-N 0 1 422.554 3.690 50 0 HHAAMN O=C([O-])c1cc(N2CC[NH+](Cc3ccccc3F)CC2)ccc1NC(=O)C1CCC1 ZINC000064590392 569069185 /nfs/dbraw/zinc/06/91/85/569069185.db2.gz UEKNIQHMNRHUAA-UHFFFAOYSA-N 0 1 411.477 3.585 50 0 HHAAMN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)s1 ZINC000036101340 569091523 /nfs/dbraw/zinc/09/15/23/569091523.db2.gz DCKLCSBRHSJBCP-SFHVURJKSA-N 0 1 415.511 3.958 50 0 HHAAMN COc1cc2ncc(C(=O)c3ccc(C)c(C)c3)c(N3CCOCC3)c2cc1OC ZINC000036102761 569092203 /nfs/dbraw/zinc/09/22/03/569092203.db2.gz KUMLHHUOTGILBF-UHFFFAOYSA-N 0 1 406.482 3.936 50 0 HHAAMN CCn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2c1c1ccccc1oc2=O ZINC000064839120 569105153 /nfs/dbraw/zinc/10/51/53/569105153.db2.gz ANYUDUBHPNMQDN-UHFFFAOYSA-N 0 1 407.514 3.858 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(F)c2)CC1 ZINC000036344766 569142847 /nfs/dbraw/zinc/14/28/47/569142847.db2.gz KBVXIVJDLIDABM-DEOSSOPVSA-N 0 1 422.548 3.758 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2C)CC1 ZINC000036344971 569143042 /nfs/dbraw/zinc/14/30/42/569143042.db2.gz TZAOOWOHRYAEDP-VWLOTQADSA-N 0 1 418.585 3.927 50 0 HHAAMN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000065060209 569163899 /nfs/dbraw/zinc/16/38/99/569163899.db2.gz GPQYEOKKSLMNQG-UHFFFAOYSA-N 0 1 418.496 3.699 50 0 HHAAMN COc1cccc(-c2cc(-c3nc([C@H]4CC(=O)N(C5CCCCC5)C4)no3)[nH]n2)c1 ZINC000169762213 569165355 /nfs/dbraw/zinc/16/53/55/569165355.db2.gz FENTVHACBQAAIC-HNNXBMFYSA-N 0 1 407.474 3.784 50 0 HHAAMN COc1ccccc1NC(=O)Cc1noc(CSc2nc3ccc(C)cc3[nH]2)n1 ZINC000006908908 569178686 /nfs/dbraw/zinc/17/86/86/569178686.db2.gz BLBCXWKZSFGFFH-UHFFFAOYSA-N 0 1 409.471 3.736 50 0 HHAAMN Cc1ccc(F)c(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)c1 ZINC000065196290 569194629 /nfs/dbraw/zinc/19/46/29/569194629.db2.gz USXKIZPWSIHXJS-UHFFFAOYSA-N 0 1 408.520 3.681 50 0 HHAAMN Cc1cc(C)cc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)c1 ZINC000036548506 569198212 /nfs/dbraw/zinc/19/82/12/569198212.db2.gz ZHLKNLWCDJKAOX-ZSHKSDETSA-N 0 1 419.569 3.879 50 0 HHAAMN c1ccc(CN2CCN(c3nnc(-c4nnc(C5CC5)o4)c4ccccc43)CC2)cc1 ZINC000065258214 569210092 /nfs/dbraw/zinc/21/00/92/569210092.db2.gz NWFSQSFUKIJSEQ-UHFFFAOYSA-N 0 1 412.497 3.879 50 0 HHAAMN CC(C)N1CCCn2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2C1=O ZINC000065258825 569210468 /nfs/dbraw/zinc/21/04/68/569210468.db2.gz VNXDVNCXFVNGQW-UHFFFAOYSA-N 0 1 415.437 3.562 50 0 HHAAMN O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cc(-c2ccccc2)on1 ZINC000036709556 569224197 /nfs/dbraw/zinc/22/41/97/569224197.db2.gz WVXDSQBESPDSDP-UHFFFAOYSA-N 0 1 401.176 3.999 50 0 HHAAMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(NC(C)=O)cc3F)n2)cc1 ZINC000007214648 569229001 /nfs/dbraw/zinc/22/90/01/569229001.db2.gz FILTUFOCILADOX-UHFFFAOYSA-N 0 1 400.435 3.553 50 0 HHAAMN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CCN(Cc2ccccc2F)CC1 ZINC000065475593 569231453 /nfs/dbraw/zinc/23/14/53/569231453.db2.gz SBEDJNVUUOTMEL-UHFFFAOYSA-N 0 1 418.896 3.574 50 0 HHAAMN CCN1CCN(c2nc3ccc(OC(=O)c4ccc(C(C)=O)cc4)cc3s2)CC1 ZINC000007512729 569243873 /nfs/dbraw/zinc/24/38/73/569243873.db2.gz BEKHJAARADRFLF-UHFFFAOYSA-N 0 1 409.511 3.860 50 0 HHAAMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000089644430 569261632 /nfs/dbraw/zinc/26/16/32/569261632.db2.gz HSAYRDNXTYGIOL-MRXNPFEDSA-N 0 1 402.560 3.985 50 0 HHAAMN CC(C)(C)OC(=O)Nc1cccc(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000089694227 569262559 /nfs/dbraw/zinc/26/25/59/569262559.db2.gz LUZRVGXPXUTUET-QFIPXVFZSA-N 0 1 411.546 3.885 50 0 HHAAMN COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CN2CCCCC2)cc1=O ZINC000016974381 569269616 /nfs/dbraw/zinc/26/96/16/569269616.db2.gz JFECKSQVBPPKSY-UHFFFAOYSA-N 0 1 423.435 3.500 50 0 HHAAMN O=C(NCc1cccnc1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002847187 569278142 /nfs/dbraw/zinc/27/81/42/569278142.db2.gz MGSWTKYXQXPRIA-UHFFFAOYSA-N 0 1 408.527 3.577 50 0 HHAAMN COc1ccc(-n2c(NCCN(C)C)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000002216092 569310891 /nfs/dbraw/zinc/31/08/91/569310891.db2.gz MGRKMZUXHDFOOZ-UHFFFAOYSA-N 0 1 412.559 3.698 50 0 HHAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)c21 ZINC000002260085 569325040 /nfs/dbraw/zinc/32/50/40/569325040.db2.gz QULKUUWSBDULNO-GJZGRUSLSA-N 0 1 415.534 3.588 50 0 HHAAMN CC[C@H](C(=O)Nc1cccc(OC)c1)N1CCC(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000013353460 569411242 /nfs/dbraw/zinc/41/12/42/569411242.db2.gz SOYKFOSHRMINEH-KGVIQGDOSA-N 0 1 415.578 3.629 50 0 HHAAMN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[n-]c(=O)c2C1 ZINC000067291769 571068301 /nfs/dbraw/zinc/06/83/01/571068301.db2.gz ABHXHRGNDWKGCQ-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[n-]c(=O)c2C1 ZINC000067291769 571068304 /nfs/dbraw/zinc/06/83/04/571068304.db2.gz ABHXHRGNDWKGCQ-UHFFFAOYSA-N 0 1 406.939 3.643 50 0 HHAAMN COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)NCC(C)C)[nH]c2c1 ZINC000008759940 571114005 /nfs/dbraw/zinc/11/40/05/571114005.db2.gz LEQYJIPWDFEHHG-UHFFFAOYSA-N 0 1 412.515 3.688 50 0 HHAAMN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(C(F)(F)F)cc1 ZINC000040150855 571199116 /nfs/dbraw/zinc/19/91/16/571199116.db2.gz BNFQMNHKYVWUDF-UHFFFAOYSA-N 0 1 400.300 3.842 50 0 HHAAMN Cc1cnc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)s1 ZINC000009135019 571229660 /nfs/dbraw/zinc/22/96/60/571229660.db2.gz MQBDYQJXIYWELJ-UHFFFAOYSA-N 0 1 408.435 3.948 50 0 biogenic HHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)on1 ZINC000009637898 571275314 /nfs/dbraw/zinc/27/53/14/571275314.db2.gz CWBODNWNVBXYSH-UHFFFAOYSA-N 0 1 416.455 3.636 50 0 HHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccccc2C)c(C)n1C ZINC000009685327 571279836 /nfs/dbraw/zinc/27/98/36/571279836.db2.gz MDGJGWXNPXMCKW-UHFFFAOYSA-N 0 1 403.548 3.767 50 0 HHAAMN COc1ccc(-c2cc(-c3nc(-c4ccc(OC)c(OC)c4)no3)[nH]n2)c(OC)c1 ZINC000010273313 571299114 /nfs/dbraw/zinc/29/91/14/571299114.db2.gz CFWXTMVGXIAIGR-UHFFFAOYSA-N 0 1 408.414 3.828 50 0 HHAAMN Cc1c(Cl)cccc1NC(=O)C(=O)NCCN1CCC(c2cccs2)CC1 ZINC000077104295 571311702 /nfs/dbraw/zinc/31/17/02/571311702.db2.gz ZOROIICTFUWKQK-UHFFFAOYSA-N 0 1 405.951 3.644 50 0 HHAAMN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCN(C)CC3)n2)cc1OC ZINC000005617929 960751118 /nfs/dbraw/zinc/75/11/18/960751118.db2.gz RLJKKRJZWXHXBG-UHFFFAOYSA-N 0 1 404.514 3.888 50 0 HHAAMN C[C@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)on1 ZINC000011789801 962191076 /nfs/dbraw/zinc/19/10/76/962191076.db2.gz ATOJBAULHUNTCQ-CQSZACIVSA-N 0 1 422.485 3.624 50 0 HHAAMN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000011815075 962197930 /nfs/dbraw/zinc/19/79/30/962197930.db2.gz LCYLOAIKBXGRIV-UHFFFAOYSA-N 0 1 413.514 3.797 50 0 HHAAMN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCN(C=O)CC2)cc1F ZINC000011816939 962198058 /nfs/dbraw/zinc/19/80/58/962198058.db2.gz UPUUMFIAQYCYFK-UHFFFAOYSA-N 0 1 422.504 3.660 50 0 HHAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C(=O)c3ccccn3)C2)c(OC)c1 ZINC000012430572 962279768 /nfs/dbraw/zinc/27/97/68/962279768.db2.gz JOHJFVUCKAYXSO-MRXNPFEDSA-N 0 1 406.486 3.584 50 0 HHAAMN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014533304 962524886 /nfs/dbraw/zinc/52/48/86/962524886.db2.gz PHESYHZICABMFX-UHFFFAOYSA-N 0 1 420.538 3.725 50 0 HHAAMN COc1ccc2nc(SCC(=O)N3CCN(C/C=C\c4ccccc4)CC3)[nH]c2c1 ZINC000050647559 964369073 /nfs/dbraw/zinc/36/90/73/964369073.db2.gz ADMDWTSQROVBGH-YVMONPNESA-N 0 1 422.554 3.521 50 0 HHAAMN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2CCCCN2C)C3)s1 ZINC000039354998 966491802 /nfs/dbraw/zinc/49/18/02/966491802.db2.gz YDVFMXIQRPAVIG-SJLPKXTDSA-N 0 1 416.518 3.661 50 0 HHAAMN CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(C[C@@H]2CC=CCC2)CC1 ZINC000039544240 966499561 /nfs/dbraw/zinc/49/95/61/966499561.db2.gz GXURHFUZUZWSSM-GOSISDBHSA-N 0 1 423.550 3.744 50 0 HHAAMN O=C([C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)c1ccccc1)N1CCOCC1 ZINC000096942225 969059343 /nfs/dbraw/zinc/05/93/43/969059343.db2.gz CPLDDRPZHCYORE-NHHWLVAYSA-N 0 1 424.501 3.806 50 0 HHAAMN Cc1cc(C)nc(N=NCc2cc(Br)cc(Br)c2O)n1 ZINC000254670507 970576533 /nfs/dbraw/zinc/57/65/33/970576533.db2.gz ULJQQRNLDQMXQZ-UHFFFAOYSA-N 0 1 400.074 3.770 50 0 HHAAMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000004122567 132271905 /nfs/dbraw/zinc/27/19/05/132271905.db2.gz NOMZCWDJFKUGMK-UHFFFAOYSA-N 0 1 423.369 3.872 50 0 HHAAMN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000004917855 132294184 /nfs/dbraw/zinc/29/41/84/132294184.db2.gz GDYYOZDPDCUPME-IAGOWNOFSA-N 0 1 412.530 3.839 50 0 HHAAMN O=C(c1ccco1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 ZINC000011912339 132352258 /nfs/dbraw/zinc/35/22/58/132352258.db2.gz ZMWPQJNMEXANMO-UHFFFAOYSA-N 0 1 417.509 3.637 50 0 HHAAMN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccc2)CC1 ZINC000012534080 132362094 /nfs/dbraw/zinc/36/20/94/132362094.db2.gz HEIGLKCAOCLBOE-IBGZPJMESA-N 0 1 420.582 3.825 50 0 HHAAMN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)c1 ZINC000032926314 518462076 /nfs/dbraw/zinc/46/20/76/518462076.db2.gz JZAJJHQTBNLCIG-UHFFFAOYSA-N 0 1 420.288 3.638 50 0 HHAAMN CC(C)CN1CCO[C@H](CSc2nc3ccccc3c(=O)n2Cc2ccccc2)C1 ZINC000023817432 519730309 /nfs/dbraw/zinc/73/03/09/519730309.db2.gz HAMQRFXQEGSFDN-FQEVSTJZSA-N 0 1 423.582 3.894 50 0 HHAAMN CCCn1c2ccccc2nc1[C@H]1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 ZINC000041146213 521640549 /nfs/dbraw/zinc/64/05/49/521640549.db2.gz AQJAGFWVQARZDA-FQEVSTJZSA-N 0 1 404.470 3.818 50 0 HHAAMN CC[C@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000032948602 523975948 /nfs/dbraw/zinc/97/59/48/523975948.db2.gz KLIGDERRLITVIW-NSHDSACASA-N 0 1 420.585 3.820 50 0 HHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc3nc(C)cn23)CC1 ZINC000012548175 535747072 /nfs/dbraw/zinc/74/70/72/535747072.db2.gz BPJZBWGXINHDLP-UHFFFAOYSA-N 0 1 417.966 3.681 50 0 HHAAMN COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1OC ZINC000000795469 557082786 /nfs/dbraw/zinc/08/27/86/557082786.db2.gz CYUIBIPBITUDQH-UHFFFAOYSA-N 0 1 416.949 3.928 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OC[C@H]1CCCO1 ZINC000000861086 557103958 /nfs/dbraw/zinc/10/39/58/557103958.db2.gz BDDJLFJKCZNKKW-CTNGQTDRSA-N 0 1 408.454 3.829 50 0 biogenic HHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000001184949 557233255 /nfs/dbraw/zinc/23/32/55/557233255.db2.gz YYIVZPOKEZGJEU-SFHVURJKSA-N 0 1 416.861 3.773 50 0 HHAAMN CCOC(=O)CCCCCC(=O)c1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000002514767 557354029 /nfs/dbraw/zinc/35/40/29/557354029.db2.gz YBUQJZDFYVRJJY-UHFFFAOYSA-N 0 1 403.519 3.722 50 0 HHAAMN COCCn1c(C)cc(C(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)c1C ZINC000003441936 557486458 /nfs/dbraw/zinc/48/64/58/557486458.db2.gz HMRDFWFTNOMLLL-UHFFFAOYSA-N 0 1 400.504 3.520 50 0 HHAAMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000004426835 557554505 /nfs/dbraw/zinc/55/45/05/557554505.db2.gz FUQKGAWRINVOJB-XBMZAUBUSA-N 0 1 418.559 3.865 50 0 HHAAMN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Cl)c2Cl)n2ncnc2N1 ZINC000004987021 557621314 /nfs/dbraw/zinc/62/13/14/557621314.db2.gz JBWCGLUCUKRGDT-BZNIZROVSA-N 0 1 409.273 3.596 50 0 HHAAMN CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(CC)ccc3OC)cc21 ZINC000022666557 557720175 /nfs/dbraw/zinc/72/01/75/557720175.db2.gz CFSABBPBXSZLAH-UHFFFAOYSA-N 0 1 402.516 3.748 50 0 HHAAMN CCn1c(C)cc(O)c([C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000022696823 557783564 /nfs/dbraw/zinc/78/35/64/557783564.db2.gz KALQWBMBERBVTE-DEOSSOPVSA-N 0 1 403.526 3.794 50 0 HHAAMN CN(Cc1ccco1)C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022782128 557819680 /nfs/dbraw/zinc/81/96/80/557819680.db2.gz QXFWNULKVXFWQF-UHFFFAOYSA-N 0 1 403.526 3.645 50 0 HHAAMN CCOc1cc(CNCc2ccccn2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356550 557839089 /nfs/dbraw/zinc/83/90/89/557839089.db2.gz YONODADJECJFHF-UHFFFAOYSA-N 0 1 402.458 3.538 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000019745194 558265767 /nfs/dbraw/zinc/26/57/67/558265767.db2.gz DKURQUGGXSRWNA-QHCPKHFHSA-N 0 1 407.558 3.862 50 0 HHAAMN CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC000011812989 558277727 /nfs/dbraw/zinc/27/77/27/558277727.db2.gz IGESZVKHVSWGON-UHFFFAOYSA-N 0 1 401.478 3.928 50 0 HHAAMN COc1cccc(C[C@]2(CO)CCCN(Cc3c(OC)cc(OC)cc3OC)C2)c1 ZINC000011816402 558279795 /nfs/dbraw/zinc/27/97/95/558279795.db2.gz GWAWKBFUYXZIJO-XMMPIXPASA-N 0 1 415.530 3.538 50 0 HHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794687 558283922 /nfs/dbraw/zinc/28/39/22/558283922.db2.gz FXCBDRDNWHMBSG-HSZRJFAPSA-N 0 1 407.558 3.684 50 0 HHAAMN NC(=O)CCN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 ZINC000019801826 558285627 /nfs/dbraw/zinc/28/56/27/558285627.db2.gz YTRZDTTZCDSVOR-SFHVURJKSA-N 0 1 419.953 3.721 50 0 HHAAMN COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1C ZINC000012038245 558312413 /nfs/dbraw/zinc/31/24/13/558312413.db2.gz HFCKGTUTHVCGGL-RTWAWAEBSA-N 0 1 402.535 3.632 50 0 HHAAMN CSc1ccccc1NC(=O)COc1ccc(-c2ncccn2)cc1CN(C)C ZINC000012218823 558354706 /nfs/dbraw/zinc/35/47/06/558354706.db2.gz IFQRBNBBFOYSAW-UHFFFAOYSA-N 0 1 408.527 3.945 50 0 HHAAMN C[C@@H](CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1ccoc1)c1ccccn1 ZINC000020432297 558362689 /nfs/dbraw/zinc/36/26/89/558362689.db2.gz VSMFDKKIQXPUEK-FQEVSTJZSA-N 0 1 404.514 3.528 50 0 HHAAMN CCOC(=O)C1(CC2CC2)CCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000012315480 558378848 /nfs/dbraw/zinc/37/88/48/558378848.db2.gz QEIKGPRJRQYTCA-UHFFFAOYSA-N 0 1 401.482 3.607 50 0 HHAAMN COc1cccc(CN2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)c1 ZINC000012386802 558395588 /nfs/dbraw/zinc/39/55/88/558395588.db2.gz SPDZKADSAOYJMK-UHFFFAOYSA-N 0 1 408.498 3.928 50 0 HHAAMN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCCC[C@H]1CCO ZINC000012430452 558405180 /nfs/dbraw/zinc/40/51/80/558405180.db2.gz YHLDMBHCMCBNSK-QFIPXVFZSA-N 0 1 423.557 3.502 50 0 HHAAMN COc1ccccc1-n1cc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)cn1 ZINC000012432334 558406711 /nfs/dbraw/zinc/40/67/11/558406711.db2.gz NLHBUPBEXFHSBY-IBGZPJMESA-N 0 1 400.486 3.629 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2F)cc1 ZINC000020732598 558407048 /nfs/dbraw/zinc/40/70/48/558407048.db2.gz KIIDVIFYNABIOT-HXUWFJFHSA-N 0 1 424.432 3.524 50 0 HHAAMN Cc1ccc(CN2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)cc1 ZINC000020781668 558412927 /nfs/dbraw/zinc/41/29/27/558412927.db2.gz XOHCTIZHLXLAPZ-QFIPXVFZSA-N 0 1 424.976 3.903 50 0 HHAAMN COc1cc(CN2CCC(CO)(CCOc3ccccc3)CC2)cc(OC)c1OC ZINC000012443547 558412938 /nfs/dbraw/zinc/41/29/38/558412938.db2.gz BXMCRATWRLNTMD-UHFFFAOYSA-N 0 1 415.530 3.756 50 0 HHAAMN CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000012444744 558413457 /nfs/dbraw/zinc/41/34/57/558413457.db2.gz UCNHZPVICPTUAB-UHFFFAOYSA-N 0 1 420.517 3.735 50 0 HHAAMN CCOc1ccc(CN2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)cc1 ZINC000020998151 558427537 /nfs/dbraw/zinc/42/75/37/558427537.db2.gz DYZUQNYFBBZWBS-QHCPKHFHSA-N 0 1 405.542 3.702 50 0 HHAAMN CC(C)CN1CCO[C@H](COC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000072015845 558429102 /nfs/dbraw/zinc/42/91/02/558429102.db2.gz PKYQEWRLPTUHMQ-HDFUYHJRSA-N 0 1 410.514 3.574 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 ZINC000012612205 558438654 /nfs/dbraw/zinc/43/86/54/558438654.db2.gz ZAJVSQQCVRSNIM-LJQANCHMSA-N 0 1 402.432 3.991 50 0 HHAAMN CCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004356041 558443364 /nfs/dbraw/zinc/44/33/64/558443364.db2.gz VIIBMJOBKRBJQM-MOSHPQCFSA-N 0 1 402.454 3.542 50 0 HHAAMN CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cccc2Cl)s1 ZINC000004359328 558451104 /nfs/dbraw/zinc/45/11/04/558451104.db2.gz SDQTXEFETJACSW-INIZCTEOSA-N 0 1 417.918 3.684 50 0 HHAAMN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000022611072 558501962 /nfs/dbraw/zinc/50/19/62/558501962.db2.gz YURHEVHFTGFZEI-UHFFFAOYSA-N 0 1 411.933 3.815 50 0 HHAAMN COC(=O)c1ccccc1OCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022861163 558517548 /nfs/dbraw/zinc/51/75/48/558517548.db2.gz ZGHQYWAPSBRARZ-UHFFFAOYSA-N 0 1 402.922 3.713 50 0 HHAAMN COc1ccc(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)cc1 ZINC000013164471 558524970 /nfs/dbraw/zinc/52/49/70/558524970.db2.gz INWQAFUWIMXJTL-HNNXBMFYSA-N 0 1 419.300 3.875 50 0 HHAAMN O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)ccc2N1 ZINC000023042605 558531512 /nfs/dbraw/zinc/53/15/12/558531512.db2.gz JCWSPNFTXRSESE-UHFFFAOYSA-N 0 1 420.796 3.577 50 0 HHAAMN Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374862 558554516 /nfs/dbraw/zinc/55/45/16/558554516.db2.gz YUOIRBBLTKYSQJ-QHCPKHFHSA-N 0 1 404.558 3.762 50 0 HHAAMN COc1ccccc1CNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717616 558580337 /nfs/dbraw/zinc/58/03/37/558580337.db2.gz WQMBHPQCLHSEPD-UHFFFAOYSA-N 0 1 417.469 3.762 50 0 HHAAMN Cc1nc(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)n(C2CCCCC2)c1C ZINC000024115567 558589961 /nfs/dbraw/zinc/58/99/61/558589961.db2.gz CVOWZLFLCVAFAT-HXUWFJFHSA-N 0 1 422.639 3.570 50 0 HHAAMN CCOc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C1CCCCC1 ZINC000013957056 558607834 /nfs/dbraw/zinc/60/78/34/558607834.db2.gz GBQFEHWAULYHFB-UHFFFAOYSA-N 0 1 403.504 3.584 50 0 HHAAMN Cc1[nH]c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)nc1Cc1ccccc1 ZINC000004492394 558609736 /nfs/dbraw/zinc/60/97/36/558609736.db2.gz OTONAFXZIHLNCP-UHFFFAOYSA-N 0 1 422.554 3.807 50 0 HHAAMN Cc1[nH]c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc1Cc1ccccc1 ZINC000004492516 558609756 /nfs/dbraw/zinc/60/97/56/558609756.db2.gz HNLVRCWZHAPPMU-HNNXBMFYSA-N 0 1 409.511 3.835 50 0 HHAAMN O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025035313 558627572 /nfs/dbraw/zinc/62/75/72/558627572.db2.gz WNMHFFYXIXHFRS-QHCPKHFHSA-N 0 1 412.449 3.767 50 0 HHAAMN Cc1ccc(NC(=O)CN(C)C(=O)CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000014184975 558630291 /nfs/dbraw/zinc/63/02/91/558630291.db2.gz UVIYHBOQRJZEEP-HNNXBMFYSA-N 0 1 407.436 3.762 50 0 HHAAMN C[C@H]1CN(CCCNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000014187304 558631537 /nfs/dbraw/zinc/63/15/37/558631537.db2.gz UFVOYJCGNSYLHV-ROUUACIJSA-N 0 1 424.570 3.830 50 0 HHAAMN O=C1CCN(Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccncc1 ZINC000014882802 558676724 /nfs/dbraw/zinc/67/67/24/558676724.db2.gz VBDROGSSUSDDDS-UHFFFAOYSA-N 0 1 401.510 3.895 50 0 HHAAMN CSCCC(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014952036 558681196 /nfs/dbraw/zinc/68/11/96/558681196.db2.gz BIAKYFLKXQUFME-HXUWFJFHSA-N 0 1 408.583 3.798 50 0 HHAAMN CCn1cc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 ZINC000014966575 558685834 /nfs/dbraw/zinc/68/58/34/558685834.db2.gz NYZRZCHSOKSAFF-QGZVFWFLSA-N 0 1 400.954 3.616 50 0 HHAAMN CN(Cc1nccs1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014994043 558695573 /nfs/dbraw/zinc/69/55/73/558695573.db2.gz OPXAKUSZEIJUBQ-CQSZACIVSA-N 0 1 407.923 3.538 50 0 HHAAMN Cc1cc(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(CC2CCCC2)n1C ZINC000014995227 558695816 /nfs/dbraw/zinc/69/58/16/558695816.db2.gz KHZQTDQDDYGSDP-UHFFFAOYSA-N 0 1 421.585 3.821 50 0 HHAAMN CCSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)n1 ZINC000028289366 558695973 /nfs/dbraw/zinc/69/59/73/558695973.db2.gz VTBZHPAPPIGMOS-QGZVFWFLSA-N 0 1 420.966 3.818 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000015063598 558706135 /nfs/dbraw/zinc/70/61/35/558706135.db2.gz MLRWHIWOXVKHMI-DEOSSOPVSA-N 0 1 412.505 3.977 50 0 HHAAMN COc1ccc(OCc2nc(C(=O)N(C)Cc3nc4cccc(C)c4[nH]3)co2)cc1 ZINC000015067867 558710582 /nfs/dbraw/zinc/71/05/82/558710582.db2.gz MUOSLYYIQIRIFE-UHFFFAOYSA-N 0 1 406.442 3.719 50 0 HHAAMN O=C(COc1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000015477081 558740831 /nfs/dbraw/zinc/74/08/31/558740831.db2.gz FZTADTOIHRJMLX-QGZVFWFLSA-N 0 1 407.308 3.764 50 0 HHAAMN CN(C)C(=O)c1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000015566157 558744278 /nfs/dbraw/zinc/74/42/78/558744278.db2.gz RSXZBXQBRWTSLD-UHFFFAOYSA-N 0 1 423.513 3.500 50 0 HHAAMN Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)c(C)c1 ZINC000016021446 558767561 /nfs/dbraw/zinc/76/75/61/558767561.db2.gz VBHHCVNDCIBTFZ-ZSHKSDETSA-N 0 1 419.569 3.879 50 0 HHAAMN NC(=O)c1cccc(CN2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c1 ZINC000071890563 558807984 /nfs/dbraw/zinc/80/79/84/558807984.db2.gz PKXFAGJTQONQHB-IBGZPJMESA-N 0 1 406.461 3.744 50 0 HHAAMN Oc1c(I)cc(C(F)(F)F)cc1I ZINC000038479966 558811449 /nfs/dbraw/zinc/81/14/49/558811449.db2.gz PFTYBCBURDKLTH-UHFFFAOYSA-N 0 1 413.902 3.620 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(OC)cc4)ccc3n2)CC1 ZINC000013671921 558853720 /nfs/dbraw/zinc/85/37/20/558853720.db2.gz KNTRFPXDFASXNB-UHFFFAOYSA-N 0 1 404.514 3.946 50 0 HHAAMN CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000019337284 558870317 /nfs/dbraw/zinc/87/03/17/558870317.db2.gz MALMFOVXYIFREW-UHFFFAOYSA-N 0 1 406.534 3.891 50 0 HHAAMN O=C(CCC(F)(F)F)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055074255 558871739 /nfs/dbraw/zinc/87/17/39/558871739.db2.gz AXYPMKCSKIPNNW-KRWDZBQOSA-N 0 1 403.876 3.796 50 0 HHAAMN Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090751 558872092 /nfs/dbraw/zinc/87/20/92/558872092.db2.gz PTSUEFBWPBOWQO-FQEVSTJZSA-N 0 1 417.557 3.607 50 0 HHAAMN O=C(c1ccc(OC2CCN(Cc3ccc4nonc4c3)CC2)cc1)N1CCCC1 ZINC000055371571 558880416 /nfs/dbraw/zinc/88/04/16/558880416.db2.gz OREZVKLWCDACLS-UHFFFAOYSA-N 0 1 406.486 3.502 50 0 HHAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(OC)c(OC)c1OC ZINC000004679277 558890256 /nfs/dbraw/zinc/89/02/56/558890256.db2.gz VSOORWPJZGRGPJ-UHFFFAOYSA-N 0 1 415.465 3.974 50 0 HHAAMN CCOC(=O)C1=C(CN2CCCCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058167073 558907363 /nfs/dbraw/zinc/90/73/63/558907363.db2.gz HSRYRNCPZDOBJJ-IBGZPJMESA-N 0 1 405.926 3.777 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SC[C@H]2CNC(c3ccccc3)=NO2)n1 ZINC000058297662 558917288 /nfs/dbraw/zinc/91/72/88/558917288.db2.gz ZXVOOMYCTDGMHQ-CQSZACIVSA-N 0 1 415.906 3.576 50 0 HHAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000021943231 558979609 /nfs/dbraw/zinc/97/96/09/558979609.db2.gz GBAQOLXABPOPPA-UHFFFAOYSA-N 0 1 400.435 3.518 50 0 HHAAMN CC(C)Cn1c(CN2CCC(CCC(=O)N3CCOCC3)CC2)nc2ccccc21 ZINC000067692171 558991650 /nfs/dbraw/zinc/99/16/50/558991650.db2.gz YZSOFCXHSJFJSM-UHFFFAOYSA-N 0 1 412.578 3.543 50 0 HHAAMN CCc1nc(SCc2noc(CCC(=O)Nc3ccc(Cl)cc3C)n2)n[nH]1 ZINC000033270991 559032650 /nfs/dbraw/zinc/03/26/50/559032650.db2.gz JWCLFTWARASTQU-UHFFFAOYSA-N 0 1 406.899 3.576 50 0 HHAAMN CCc1n[nH]c(SCc2noc(CCC(=O)Nc3ccc(Cl)cc3C)n2)n1 ZINC000033270991 559032651 /nfs/dbraw/zinc/03/26/51/559032651.db2.gz JWCLFTWARASTQU-UHFFFAOYSA-N 0 1 406.899 3.576 50 0 HHAAMN CCCCN1CCN(C(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)CC1 ZINC000033313152 559055146 /nfs/dbraw/zinc/05/51/46/559055146.db2.gz WUCVSEHEVQFRGF-UHFFFAOYSA-N 0 1 407.562 3.692 50 0 HHAAMN CN(C)[C@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccc(F)c1 ZINC000011603846 559113189 /nfs/dbraw/zinc/11/31/89/559113189.db2.gz DMBYNACQRXXPOU-HXUWFJFHSA-N 0 1 410.493 3.602 50 0 HHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100510959 559136090 /nfs/dbraw/zinc/13/60/90/559136090.db2.gz AJAPTWKTHVPRHV-VSKRKVRLSA-N 0 1 418.424 3.885 50 0 HHAAMN CCOc1ccccc1N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000023466482 559175841 /nfs/dbraw/zinc/17/58/41/559175841.db2.gz SKKKFWFOKFFSKZ-QPPBQGQZSA-N 0 1 410.558 3.662 50 0 HHAAMN CCn1c(C)cc(O)c([C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000024022766 559187774 /nfs/dbraw/zinc/18/77/74/559187774.db2.gz ZNUPVPXZFVJZME-XMMPIXPASA-N 0 1 421.516 3.933 50 0 HHAAMN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1Cl ZINC000005121319 559247850 /nfs/dbraw/zinc/24/78/50/559247850.db2.gz JTQLRZFMXHBFAQ-UHFFFAOYSA-N 0 1 404.669 3.675 50 0 HHAAMN COc1ccccc1C(=O)NCc1n[nH]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000005128745 559249011 /nfs/dbraw/zinc/24/90/11/559249011.db2.gz CZQYNUVSZKTOHU-UHFFFAOYSA-N 0 1 408.405 3.887 50 0 HHAAMN CC(C)CN1CCO[C@@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)C1 ZINC000248220410 559269052 /nfs/dbraw/zinc/26/90/52/559269052.db2.gz HOGDXWPASSFKCX-KQSXWVITSA-N 0 1 410.602 3.998 50 0 HHAAMN CC(C)CN1CCO[C@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)C1 ZINC000248220407 559269085 /nfs/dbraw/zinc/26/90/85/559269085.db2.gz HOGDXWPASSFKCX-AVDSPKTLSA-N 0 1 410.602 3.998 50 0 HHAAMN COc1ccsc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000078783660 560540720 /nfs/dbraw/zinc/54/07/20/560540720.db2.gz CWKFAGKUFUDADH-UHFFFAOYSA-N 0 1 410.337 3.523 50 0 HHAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)Cc3ccc(F)cc3)nc21 ZINC000005268258 560556481 /nfs/dbraw/zinc/55/64/81/560556481.db2.gz GULFNJQAQRQDIM-UHFFFAOYSA-N 0 1 401.507 3.971 50 0 HHAAMN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000005312626 560564226 /nfs/dbraw/zinc/56/42/26/560564226.db2.gz WFQMJXSLLNPVJM-NRFANRHFSA-N 0 1 407.539 3.718 50 0 HHAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000005343644 560566541 /nfs/dbraw/zinc/56/65/41/560566541.db2.gz LVZUAPLWQJMFAN-OPAMFIHVSA-N 0 1 405.454 3.515 50 0 HHAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000005343384 560568109 /nfs/dbraw/zinc/56/81/09/560568109.db2.gz CBUCGOGCRMCUCJ-OPAMFIHVSA-N 0 1 405.454 3.515 50 0 HHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)NC(c1ccccc1)c1ccccc1 ZINC000005532540 560606105 /nfs/dbraw/zinc/60/61/05/560606105.db2.gz MUXIDJRGBHXEPS-UHFFFAOYSA-N 0 1 401.495 3.865 50 0 HHAAMN CCCN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1ccccc1 ZINC000062581691 560632122 /nfs/dbraw/zinc/63/21/22/560632122.db2.gz KAUPUKPOTPWJMV-UHFFFAOYSA-N 0 1 411.571 3.726 50 0 HHAAMN COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008901874 560640178 /nfs/dbraw/zinc/64/01/78/560640178.db2.gz KQZRLKGTJNLHEI-NRFANRHFSA-N 0 1 422.616 3.836 50 0 HHAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1Cl ZINC000006209980 560740399 /nfs/dbraw/zinc/74/03/99/560740399.db2.gz GPXQBPSPYLHNMB-UHFFFAOYSA-N 0 1 415.902 3.774 50 0 HHAAMN COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4cccc(C)c4)c3)cn2n1 ZINC000011693555 560773765 /nfs/dbraw/zinc/77/37/65/560773765.db2.gz VVSIBMNWLWPVQJ-UHFFFAOYSA-N 0 1 424.482 3.523 50 0 HHAAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102724555 560821754 /nfs/dbraw/zinc/82/17/54/560821754.db2.gz KERNKEUSBXMSQX-YPAWHYETSA-N 0 1 400.434 3.746 50 0 HHAAMN CC(C)CN1CCO[C@@H](COC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000221705225 560836021 /nfs/dbraw/zinc/83/60/21/560836021.db2.gz PKYQEWRLPTUHMQ-JXOZOUPFSA-N 0 1 410.514 3.574 50 0 HHAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984307 560858960 /nfs/dbraw/zinc/85/89/60/560858960.db2.gz SUEWZKUMSAHMSS-XZOQPEGZSA-N 0 1 414.521 3.854 50 0 HHAAMN CCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032421 568424680 /nfs/dbraw/zinc/42/46/80/568424680.db2.gz ZUWDSOLQQFHULI-UHFFFAOYSA-N 0 1 406.511 3.849 50 0 HHAAMN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@H](c1ccco1)N1CCCC1 ZINC000048314954 568438081 /nfs/dbraw/zinc/43/80/81/568438081.db2.gz MNJUJPGVGRFGKA-QGZVFWFLSA-N 0 1 404.894 3.590 50 0 HHAAMN COc1ccc(CN(C)Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)cc1OC ZINC000048346073 568441060 /nfs/dbraw/zinc/44/10/60/568441060.db2.gz JBRWXJSVRWCVTD-UHFFFAOYSA-N 0 1 422.312 3.959 50 0 HHAAMN Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c(=O)n21 ZINC000033256312 568512592 /nfs/dbraw/zinc/51/25/92/568512592.db2.gz POGOJVYAUIPGGD-UHFFFAOYSA-N 0 1 413.524 3.944 50 0 HHAAMN CCOC(=O)C1C(CN(C)c2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214170 568594756 /nfs/dbraw/zinc/59/47/56/568594756.db2.gz BVZUTUKOMYXWOV-LJQANCHMSA-N 0 1 417.868 3.787 50 0 HHAAMN COc1ccc(CNc2nc(-c3ccco3)nn2C(O)=COc2ccccc2)cc1 ZINC000020444217 568608080 /nfs/dbraw/zinc/60/80/80/568608080.db2.gz DOJULTBVCPDHBB-UHFFFAOYSA-N 0 1 404.426 3.878 50 0 HHAAMN CCN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC)C1CC1 ZINC000095432818 568609390 /nfs/dbraw/zinc/60/93/90/568609390.db2.gz DYHBLLSLLGBYCP-NRFANRHFSA-N 0 1 421.541 3.918 50 0 HHAAMN CN1CCO[C@@H]([C@H](NCc2ccc(-n3ccnc3)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000095451750 568614841 /nfs/dbraw/zinc/61/48/41/568614841.db2.gz QBEFGYMOMNOSAB-FGZHOGPDSA-N 0 1 414.912 3.826 50 0 HHAAMN O=C(O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ccc(N2CCOC2=O)cc1 ZINC000095456238 568617577 /nfs/dbraw/zinc/61/75/77/568617577.db2.gz IUMUVYNNMSSCBX-JOCHJYFZSA-N 0 1 406.482 3.563 50 0 HHAAMN O=C(O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ccc(N2CCOC2=O)cc1 ZINC000095456239 568617604 /nfs/dbraw/zinc/61/76/04/568617604.db2.gz IUMUVYNNMSSCBX-QFIPXVFZSA-N 0 1 406.482 3.563 50 0 HHAAMN CCOc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000020532759 568628583 /nfs/dbraw/zinc/62/85/83/568628583.db2.gz HPEXALRLCYTLSO-UHFFFAOYSA-N 0 1 411.483 3.842 50 0 HHAAMN CCCN1CCN(c2nnc(-n3cccc3C(=O)Nc3cccc(C)c3C)s2)CC1 ZINC000020980829 568654425 /nfs/dbraw/zinc/65/44/25/568654425.db2.gz ZIYJOONYKRUNLR-UHFFFAOYSA-N 0 1 424.574 3.730 50 0 HHAAMN COc1ccccc1N1CCN(CCCNC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000021175135 568676866 /nfs/dbraw/zinc/67/68/66/568676866.db2.gz NNYPKHHSFBSIRW-UHFFFAOYSA-N 0 1 416.953 3.991 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022579692 568770699 /nfs/dbraw/zinc/77/06/99/568770699.db2.gz NXVLBDLFHTXPLP-DEOSSOPVSA-N 0 1 403.526 3.567 50 0 HHAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)N1CCc2ccccc21 ZINC000002657701 568798110 /nfs/dbraw/zinc/79/81/10/568798110.db2.gz QVTSBJSPPQCZPQ-UHFFFAOYSA-N 0 1 415.316 3.916 50 0 HHAAMN COc1ccccc1Cn1c(=O)c2cc(I)ccc2[nH]c1=S ZINC000002970508 568831729 /nfs/dbraw/zinc/83/17/29/568831729.db2.gz HUADLZSTRWNJDG-UHFFFAOYSA-N 0 1 424.263 3.721 50 0 HHAAMN O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000002976023 568832569 /nfs/dbraw/zinc/83/25/69/568832569.db2.gz LPPROLRAZZNISH-UHFFFAOYSA-N 0 1 406.511 3.620 50 0 HHAAMN CCN(CCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)c1ccccc1 ZINC000002976046 568832622 /nfs/dbraw/zinc/83/26/22/568832622.db2.gz MMGHBKRCUCRVNT-UHFFFAOYSA-N 0 1 424.570 3.812 50 0 HHAAMN CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478403 568839782 /nfs/dbraw/zinc/83/97/82/568839782.db2.gz QQPDXCMNKSVIEC-QFIPXVFZSA-N 0 1 407.514 3.552 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2)c1 ZINC000003215768 568846893 /nfs/dbraw/zinc/84/68/93/568846893.db2.gz MTKPQHRLMDECBB-UHFFFAOYSA-N 0 1 410.495 3.734 50 0 HHAAMN COc1ccc(NC(=O)Cc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012541563 568848722 /nfs/dbraw/zinc/84/87/22/568848722.db2.gz GERFDBUTYQEJAP-UHFFFAOYSA-N 0 1 414.458 3.816 50 0 HHAAMN Cc1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1C ZINC000012727293 568921050 /nfs/dbraw/zinc/92/10/50/568921050.db2.gz GXVWYDAALOMBEZ-GOSISDBHSA-N 0 1 409.530 3.537 50 0 HHAAMN Cc1cccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000004669923 568926688 /nfs/dbraw/zinc/92/66/88/568926688.db2.gz OUXISNUJCXMBFL-UHFFFAOYSA-N 0 1 419.510 3.765 50 0 HHAAMN CCOC(=O)C1C(COc2ccccc2Cl)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000007987945 568965666 /nfs/dbraw/zinc/96/56/66/568965666.db2.gz XQULFNKZCSPSPA-IBGZPJMESA-N 0 1 416.861 3.599 50 0 HHAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001463473 568989011 /nfs/dbraw/zinc/98/90/11/568989011.db2.gz NBWUQPNZTNOFKH-FQEVSTJZSA-N 0 1 422.872 3.994 50 0 HHAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001463472 568989033 /nfs/dbraw/zinc/98/90/33/568989033.db2.gz NBWUQPNZTNOFKH-HXUWFJFHSA-N 0 1 422.872 3.994 50 0 HHAAMN O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664739 569006625 /nfs/dbraw/zinc/00/66/25/569006625.db2.gz NBNGXPGOEFRPCS-UHFFFAOYSA-N 0 1 405.398 3.775 50 0 HHAAMN CC(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983510 569009772 /nfs/dbraw/zinc/00/97/72/569009772.db2.gz VAZRBLAKDVLURD-FCHUYYIVSA-N 0 1 400.494 3.607 50 0 HHAAMN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006146999 569014624 /nfs/dbraw/zinc/01/46/24/569014624.db2.gz CMIKZYWVQBVTKU-UHFFFAOYSA-N 0 1 414.414 3.608 50 0 HHAAMN Cc1sc2ncnc(SCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2c1C ZINC000012891454 569020072 /nfs/dbraw/zinc/02/00/72/569020072.db2.gz ORFFOYRMIBBACK-QGZVFWFLSA-N 0 1 412.584 3.791 50 0 HHAAMN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000015972324 569025270 /nfs/dbraw/zinc/02/52/70/569025270.db2.gz AMUPFGDCAJZQCJ-BTCOZLQPSA-N 0 1 411.477 3.645 50 0 HHAAMN C[C@@H](NC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1)c1ccccc1 ZINC000035360308 569033708 /nfs/dbraw/zinc/03/37/08/569033708.db2.gz GAIXORVAXMXKSY-NNESSARFSA-N 0 1 419.569 3.501 50 0 HHAAMN Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000035485466 569039744 /nfs/dbraw/zinc/03/97/44/569039744.db2.gz SDNYVZVJYMFPNP-XWEVFREBSA-N 0 1 405.542 3.571 50 0 HHAAMN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000035539426 569043672 /nfs/dbraw/zinc/04/36/72/569043672.db2.gz PTXOURRVBNUAPT-UHFFFAOYSA-N 0 1 405.457 3.513 50 0 HHAAMN COc1ccc(C2=C3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3N(c3ccccc3)N2)cc1 ZINC000018120721 569047222 /nfs/dbraw/zinc/04/72/22/569047222.db2.gz RRVQBSIBMVQEEV-IFMALSPDSA-N 0 1 415.424 3.617 50 0 HHAAMN COc1cc(CCC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc(OC)c1 ZINC000013010869 569050091 /nfs/dbraw/zinc/05/00/91/569050091.db2.gz ROUAXBPJPFZNHZ-QFIPXVFZSA-N 0 1 412.530 3.598 50 0 HHAAMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570504 569052127 /nfs/dbraw/zinc/05/21/27/569052127.db2.gz BAMQVPYWMNHYKI-IAVIKHRSSA-N 0 1 409.574 3.811 50 0 HHAAMN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000006551977 569065204 /nfs/dbraw/zinc/06/52/04/569065204.db2.gz XOMGGZIFXNAKKW-UHFFFAOYSA-N 0 1 414.414 3.608 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1NC(C)=O ZINC000006623233 569075120 /nfs/dbraw/zinc/07/51/20/569075120.db2.gz MOTMDSZKTZWQCW-UHFFFAOYSA-N 0 1 406.504 3.761 50 0 HHAAMN COCCCN(Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097205 569090218 /nfs/dbraw/zinc/09/02/18/569090218.db2.gz HZSIGRCNSKUDIZ-IBGZPJMESA-N 0 1 423.937 3.636 50 0 HHAAMN COC(=O)c1cccc(Nc2ncccc2S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000064757621 569091089 /nfs/dbraw/zinc/09/10/89/569091089.db2.gz FXRVNHFZKFNAGD-UHFFFAOYSA-N 0 1 401.419 3.552 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(N2CCCC2)n1 ZINC000064799725 569097349 /nfs/dbraw/zinc/09/73/49/569097349.db2.gz CTAGERATOJPXNL-UHFFFAOYSA-N 0 1 420.344 3.654 50 0 HHAAMN O[C@H](COCc1ccco1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146892 569098843 /nfs/dbraw/zinc/09/88/43/569098843.db2.gz SDYDBWPPZLNUJY-UPVQGACJSA-N 0 1 420.509 3.853 50 0 HHAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)c1 ZINC000006744722 569107586 /nfs/dbraw/zinc/10/75/86/569107586.db2.gz IWEKTKLRAVNGRR-HSZRJFAPSA-N 0 1 412.449 3.931 50 0 HHAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000006744747 569107603 /nfs/dbraw/zinc/10/76/03/569107603.db2.gz CXMCRBBRYXCCAI-QHCPKHFHSA-N 0 1 412.449 3.931 50 0 HHAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1 ZINC000006752810 569111407 /nfs/dbraw/zinc/11/14/07/569111407.db2.gz DHGGAJFZXJZASY-JOCHJYFZSA-N 0 1 407.470 3.763 50 0 HHAAMN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@H](C)O)CC2)cc1 ZINC000036340524 569141703 /nfs/dbraw/zinc/14/17/03/569141703.db2.gz PUOVKHBGDUTWFB-FQEVSTJZSA-N 0 1 416.569 3.854 50 0 HHAAMN COc1cc(Cl)c(NS(=O)(=O)c2ccc(-c3ccno3)s2)c(OC)c1 ZINC000065031193 569157373 /nfs/dbraw/zinc/15/73/73/569157373.db2.gz MYFCHCMRIGGXFI-UHFFFAOYSA-N 0 1 400.865 3.875 50 0 HHAAMN COc1cccc(-c2cc(-c3nc([C@@H]4CC(=O)N(C5CCCCC5)C4)no3)[nH]n2)c1 ZINC000169762212 569165349 /nfs/dbraw/zinc/16/53/49/569165349.db2.gz FENTVHACBQAAIC-OAHLLOKOSA-N 0 1 407.474 3.784 50 0 HHAAMN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)cc1OCC ZINC000006891462 569174097 /nfs/dbraw/zinc/17/40/97/569174097.db2.gz AHPNCPDCFIKKOK-IBGZPJMESA-N 0 1 401.532 3.778 50 0 HHAAMN Cc1ccc2c(cc(NC(=O)C3CCC3)cc2C(=O)N2CCN(CC(C)C)CC2)n1 ZINC000065136102 569183276 /nfs/dbraw/zinc/18/32/76/569183276.db2.gz ZWHDIZOKRHQGAK-UHFFFAOYSA-N 0 1 408.546 3.696 50 0 HHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006935280 569186117 /nfs/dbraw/zinc/18/61/17/569186117.db2.gz MLNKILJMEGYMMZ-OAHLLOKOSA-N 0 1 414.527 3.882 50 0 HHAAMN CCc1ccccc1NS(=O)(=O)c1c(C)c(-c2nnc(C3CC3)o2)n(C)c1C ZINC000065186545 569192243 /nfs/dbraw/zinc/19/22/43/569192243.db2.gz BNXFCGPHQODCIU-UHFFFAOYSA-N 0 1 400.504 3.933 50 0 HHAAMN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC000065194104 569192679 /nfs/dbraw/zinc/19/26/79/569192679.db2.gz AFSGKNSHSHJOOZ-UHFFFAOYSA-N 0 1 414.409 3.820 50 0 HHAAMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC1CCN(Cc2ccccc2F)CC1 ZINC000065547841 569234841 /nfs/dbraw/zinc/23/48/41/569234841.db2.gz HGVXMVHDZGCVMA-IBGZPJMESA-N 0 1 410.537 3.616 50 0 HHAAMN COc1ccc2nc([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)[nH]c2c1 ZINC000170598442 569242573 /nfs/dbraw/zinc/24/25/73/569242573.db2.gz QHFGKCLWIUUIEZ-IIBYNOLFSA-N 0 1 422.529 3.902 50 0 HHAAMN COc1ccc2nc([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)[nH]c2c1 ZINC000170598440 569242591 /nfs/dbraw/zinc/24/25/91/569242591.db2.gz QHFGKCLWIUUIEZ-HRAATJIYSA-N 0 1 422.529 3.902 50 0 HHAAMN COC(=O)c1cccc(CS(=O)(=O)Nc2ccc3c(c2)CN(CCC(C)C)C3)c1 ZINC000170609153 569244904 /nfs/dbraw/zinc/24/49/04/569244904.db2.gz RBRIKKXKSLNFFC-UHFFFAOYSA-N 0 1 416.543 3.777 50 0 HHAAMN Cc1cc(C(=O)N(Cc2c[nH]nn2)Cc2ccccc2)nn1-c1cc(C)cc(C)c1 ZINC000170614502 569247128 /nfs/dbraw/zinc/24/71/28/569247128.db2.gz JVJKIJRFPSEJRR-UHFFFAOYSA-N 0 1 400.486 3.758 50 0 HHAAMN Cn1ncc2c1nc(N1CCN(Cc3ccccc3)CC1)nc2Nc1ccc(F)cc1 ZINC000017148924 569275701 /nfs/dbraw/zinc/27/57/01/569275701.db2.gz MHININBZRWUWLX-UHFFFAOYSA-N 0 1 417.492 3.568 50 0 HHAAMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000007910349 569321555 /nfs/dbraw/zinc/32/15/55/569321555.db2.gz QJMAHCIVKIVZFD-HXUWFJFHSA-N 0 1 407.558 3.701 50 0 HHAAMN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000253417849 569367563 /nfs/dbraw/zinc/36/75/63/569367563.db2.gz HVLBVWVHOJYVTR-UHFFFAOYSA-N 0 1 402.376 3.583 50 0 HHAAMN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCc2ccccc21 ZINC000027906426 569409479 /nfs/dbraw/zinc/40/94/79/569409479.db2.gz PRPDUDNBOMQDCJ-LJQANCHMSA-N 0 1 409.486 3.505 50 0 HHAAMN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000013358265 569411694 /nfs/dbraw/zinc/41/16/94/569411694.db2.gz CRQZXPRYRDUZGZ-UHFFFAOYSA-N 0 1 417.512 3.886 50 0 HHAAMN COCc1n[nH]c(-c2ccc(NC(=O)Cc3ccc4c(c3)CCC(C)(C)O4)cc2)n1 ZINC000079476245 569431535 /nfs/dbraw/zinc/43/15/35/569431535.db2.gz MSGYQRPROWLIFF-UHFFFAOYSA-N 0 1 406.486 3.903 50 0 HHAAMN Cc1cccc(N2CCN(C(=O)c3[nH]nnc3Nc3cccc(Cl)c3)CC2)c1C ZINC000067284673 571063709 /nfs/dbraw/zinc/06/37/09/571063709.db2.gz VIUVKIJMEPVGCX-UHFFFAOYSA-N 0 1 410.909 3.781 50 0 HHAAMN O=C(c1[nH]nnc1Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000067284343 571063793 /nfs/dbraw/zinc/06/37/93/571063793.db2.gz HGKSJBGVPHKJCA-UHFFFAOYSA-N 0 1 417.300 3.818 50 0 HHAAMN O=C(NCc1n[nH]c2c1CCCCC2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000670473304 571104168 /nfs/dbraw/zinc/10/41/68/571104168.db2.gz ACUYVHNGPVBLLH-UHFFFAOYSA-N 0 1 414.937 3.501 50 0 HHAAMN CCCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1 ZINC000008772613 571117559 /nfs/dbraw/zinc/11/75/59/571117559.db2.gz YFRLIIHJFQRWNL-UHFFFAOYSA-N 0 1 419.499 3.576 50 0 HHAAMN [O-][C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777805 571118096 /nfs/dbraw/zinc/11/80/96/571118096.db2.gz ZKMAAHHVFDJQII-FZKQIMNGSA-N 0 1 418.400 3.689 50 0 HHAAMN Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000008814878 571120929 /nfs/dbraw/zinc/12/09/29/571120929.db2.gz ACJMSTQVVQYGQW-YKSBVNFPSA-N 0 1 403.482 3.570 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)CCc2c(C)nn(CC(C)C)c2C)CC1 ZINC000039996376 571137248 /nfs/dbraw/zinc/13/72/48/571137248.db2.gz CCBPXWQSLBGUGS-UHFFFAOYSA-N 0 1 411.594 3.869 50 0 HHAAMN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000008974866 571197837 /nfs/dbraw/zinc/19/78/37/571197837.db2.gz SQUCAUCERUEPOO-GOSISDBHSA-N 0 1 423.416 3.960 50 0 HHAAMN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1cnc[nH]1)oc1c3CCCC1 ZINC000009059770 571217181 /nfs/dbraw/zinc/21/71/81/571217181.db2.gz YEWOOVXJYLVLKL-UHFFFAOYSA-N 0 1 419.481 3.741 50 0 HHAAMN Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000009378391 571253410 /nfs/dbraw/zinc/25/34/10/571253410.db2.gz IKSJWMUEEKSUPS-UHFFFAOYSA-N 0 1 410.282 3.759 50 0 HHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000009515656 571264891 /nfs/dbraw/zinc/26/48/91/571264891.db2.gz QRWIXXOSXPJGSH-SFHVURJKSA-N 0 1 401.894 3.627 50 0 HHAAMN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(-c2ccccc2)n[nH]1 ZINC000009602703 571273072 /nfs/dbraw/zinc/27/30/72/571273072.db2.gz FDCYWXJNNALABG-UHFFFAOYSA-N 0 1 405.483 3.775 50 0 HHAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2cccc3c2CCCC3)c(C)n1C ZINC000009684886 571279584 /nfs/dbraw/zinc/27/95/84/571279584.db2.gz DFMYONQSHJOJCV-UHFFFAOYSA-N 0 1 415.559 3.558 50 0 HHAAMN CCCN1C(=O)N=NC1SCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000010438831 571302828 /nfs/dbraw/zinc/30/28/28/571302828.db2.gz IKPZYCMUCSLBEC-INIZCTEOSA-N 0 1 420.585 3.783 50 0 HHAAMN O=C(CN1CCC(COCc2ccc(Cl)cc2)CC1)NCCc1ccccc1 ZINC000077191612 571312315 /nfs/dbraw/zinc/31/23/15/571312315.db2.gz MUACXQJNJSHHFM-UHFFFAOYSA-N 0 1 400.950 3.928 50 0 HHAAMN C[C@H]1CN(CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000011910228 962207721 /nfs/dbraw/zinc/20/77/21/962207721.db2.gz AHEOTJSPZQIZCU-SIKLNZKXSA-N 0 1 406.526 3.781 50 0 HHAAMN O=C([C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)c1ccccc1)N1CCOCC1 ZINC000014897968 962600831 /nfs/dbraw/zinc/60/08/31/962600831.db2.gz CPLDDRPZHCYORE-OJLWIZQOSA-N 0 1 424.501 3.806 50 0 HHAAMN COC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000015079642 962653543 /nfs/dbraw/zinc/65/35/43/962653543.db2.gz VQICNZOXRVIVQO-JOCHJYFZSA-N 0 1 423.557 3.766 50 0 HHAAMN O=C1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)CCN1CCOc1ccccc1 ZINC000020542914 963389281 /nfs/dbraw/zinc/38/92/81/963389281.db2.gz PYYFFWGLIWWJAF-UHFFFAOYSA-N 0 1 424.932 3.639 50 0 HHAAMN O=C1CCN(Cc2cccn2-c2ccc(Cl)cn2)CCN1CCOc1ccccc1 ZINC000020542914 963389289 /nfs/dbraw/zinc/38/92/89/963389289.db2.gz PYYFFWGLIWWJAF-UHFFFAOYSA-N 0 1 424.932 3.639 50 0 HHAAMN Oc1c(Br)cc(Br)cc1CN=Nc1ccc(Cl)nn1 ZINC000254741419 970577791 /nfs/dbraw/zinc/57/77/91/970577791.db2.gz QWLHVUDCVJRNSA-UHFFFAOYSA-N 0 1 406.465 3.807 50 0 HHAAMN CCN1CCN(c2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc32)CC1 ZINC000007615891 132325141 /nfs/dbraw/zinc/32/51/41/132325141.db2.gz OULLZKWPNDUWHT-UHFFFAOYSA-N 0 1 410.884 3.879 50 0 HHAAMN CCCCN1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579023 520590459 /nfs/dbraw/zinc/59/04/59/520590459.db2.gz URCNJLMLUMNIQY-UHFFFAOYSA-N 0 1 420.513 3.727 50 0 HHAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000040287124 521868538 /nfs/dbraw/zinc/86/85/38/521868538.db2.gz GWKSTFXKMYIMGV-HXUWFJFHSA-N 0 1 424.432 3.524 50 0 HHAAMN COc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(F)c1 ZINC000020535049 524028933 /nfs/dbraw/zinc/02/89/33/524028933.db2.gz XYSGTLPXNKOAIN-FQEVSTJZSA-N 0 1 413.537 3.630 50 0 HHAAMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2SC2CCCC2)cc1 ZINC000032094417 525265484 /nfs/dbraw/zinc/26/54/84/525265484.db2.gz KAOVVCZDDOUDSG-UHFFFAOYSA-N 0 1 411.570 3.926 50 0 HHAAMN COc1ccc([C@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)N2CCCC2)cc1 ZINC000032679676 525362017 /nfs/dbraw/zinc/36/20/17/525362017.db2.gz VVURXOQAAYPVSX-QHCPKHFHSA-N 0 1 412.555 3.739 50 0 HHAAMN O=C(c1cccc2c[nH]nc21)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032754714 526787125 /nfs/dbraw/zinc/78/71/25/526787125.db2.gz DCEPINBGXKLMLE-UHFFFAOYSA-N 0 1 409.449 3.642 50 0 HHAAMN O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1ccc(F)c(Cl)c1 ZINC000043953947 527213584 /nfs/dbraw/zinc/21/35/84/527213584.db2.gz MLRYABXMURHIFH-UHFFFAOYSA-N 0 1 402.944 3.731 50 0 HHAAMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000036385674 527528296 /nfs/dbraw/zinc/52/82/96/527528296.db2.gz XZVKUQKLYWSWFI-XMMPIXPASA-N 0 1 422.548 3.697 50 0 HHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000032879884 527529678 /nfs/dbraw/zinc/52/96/78/527529678.db2.gz NTPAXDCUFWYFPJ-LJQANCHMSA-N 0 1 415.896 3.686 50 0 HHAAMN O=C(C1CCN(Cc2ccccc2F)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000000795507 557083161 /nfs/dbraw/zinc/08/31/61/557083161.db2.gz DMVCWJPNZDSXKX-RMKNXTFCSA-N 0 1 421.560 3.895 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OC[C@@H]1CCCO1 ZINC000000861088 557103979 /nfs/dbraw/zinc/10/39/79/557103979.db2.gz BDDJLFJKCZNKKW-FPOVZHCZSA-N 0 1 408.454 3.829 50 0 biogenic HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)cc1C ZINC000001064757 557165702 /nfs/dbraw/zinc/16/57/02/557165702.db2.gz LRONEILQAXZFKG-KRWDZBQOSA-N 0 1 422.934 3.666 50 0 HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2ccccc21 ZINC000001114991 557186300 /nfs/dbraw/zinc/18/63/00/557186300.db2.gz WUTGPSRADSCDFC-UHFFFAOYSA-N 0 1 404.451 3.683 50 0 HHAAMN COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002050309 557300633 /nfs/dbraw/zinc/30/06/33/557300633.db2.gz HXMLKZZERUWFBL-GOSISDBHSA-N 0 1 423.416 3.878 50 0 HHAAMN COc1ccc(OC)c(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 ZINC000004673458 557579862 /nfs/dbraw/zinc/57/98/62/557579862.db2.gz FJFXXQMLQSLBIE-UHFFFAOYSA-N 0 1 402.922 3.886 50 0 HHAAMN O=C1C[C@@H]([C@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000005015832 557626070 /nfs/dbraw/zinc/62/60/70/557626070.db2.gz KOJFHACVEAYTSQ-SJORKVTESA-N 0 1 408.420 3.601 50 0 HHAAMN COc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCN(C)CC3)cc1 ZINC000002715993 557749995 /nfs/dbraw/zinc/74/99/95/557749995.db2.gz LVWCZZSJYQBZSM-UHFFFAOYSA-N 0 1 411.502 3.529 50 0 HHAAMN CCCCC(=O)N[C@@](Nc1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F ZINC000009012546 557819016 /nfs/dbraw/zinc/81/90/16/557819016.db2.gz MLLWGBQNDAHYFA-MRXNPFEDSA-N 0 1 403.426 3.836 50 0 HHAAMN O[C@H](COc1ccccc1-c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022918042 558260825 /nfs/dbraw/zinc/26/08/25/558260825.db2.gz XRFMRRPTNKCBRI-DEOSSOPVSA-N 0 1 402.538 3.911 50 0 HHAAMN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741161 558261842 /nfs/dbraw/zinc/26/18/42/558261842.db2.gz AQAAOESVHFCTBB-HSZRJFAPSA-N 0 1 419.548 3.798 50 0 HHAAMN COc1cccc(OCc2cc(C(=O)N(C)Cc3cccc4cnccc43)[nH]n2)c1 ZINC000011820286 558283638 /nfs/dbraw/zinc/28/36/38/558283638.db2.gz GGBBFXWUXQRMJX-UHFFFAOYSA-N 0 1 402.454 3.818 50 0 HHAAMN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC000011935782 558300010 /nfs/dbraw/zinc/30/00/10/558300010.db2.gz BJHQAZUCZAUKNP-KRWDZBQOSA-N 0 1 413.518 3.616 50 0 HHAAMN CCOc1ccc(CC2CCN([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000019890308 558302982 /nfs/dbraw/zinc/30/29/82/558302982.db2.gz FCKJNMAFSNSPPC-HSZRJFAPSA-N 0 1 406.526 3.980 50 0 HHAAMN CCCc1cc(C(=O)N(CCOC)CC2CCN(Cc3ccccc3F)CC2)no1 ZINC000012197952 558350573 /nfs/dbraw/zinc/35/05/73/558350573.db2.gz NYOVBEDXTMRAAI-UHFFFAOYSA-N 0 1 417.525 3.767 50 0 HHAAMN O=C(c1cccnc1)N1CCC[C@@H](COc2ccc(CN3CCSCC3)cc2)C1 ZINC000012282205 558365365 /nfs/dbraw/zinc/36/53/65/558365365.db2.gz RKYDHJRRZYHSQG-HXUWFJFHSA-N 0 1 411.571 3.562 50 0 HHAAMN COc1ccc(-c2ncc(CN3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 ZINC000012300824 558370606 /nfs/dbraw/zinc/37/06/06/558370606.db2.gz KAUUPZPROPIMAH-FQEVSTJZSA-N 0 1 418.497 3.957 50 0 HHAAMN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)cc1Cl ZINC000012302642 558372381 /nfs/dbraw/zinc/37/23/81/558372381.db2.gz BLHJSWIYPBKBJG-AWEZNQCLSA-N 0 1 404.898 3.651 50 0 HHAAMN CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000012332544 558385667 /nfs/dbraw/zinc/38/56/67/558385667.db2.gz IKIKLHCVDXAMCT-JOCHJYFZSA-N 0 1 416.525 3.778 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cc(F)ccc2F)c1 ZINC000020730519 558406453 /nfs/dbraw/zinc/40/64/53/558406453.db2.gz DWOXGIIQUOFDRH-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN CCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(CCCc2ccccc2)C1=O ZINC000004346489 558427604 /nfs/dbraw/zinc/42/76/04/558427604.db2.gz MQUZAMBBRDSVLV-PGMHBOJBSA-N 0 1 416.481 3.666 50 0 HHAAMN COc1ccc(-n2cc(CN3CCCN(C(C)=O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012594963 558437181 /nfs/dbraw/zinc/43/71/81/558437181.db2.gz ZDHWMCROTWLCOI-UHFFFAOYSA-N 0 1 422.504 3.741 50 0 HHAAMN COC(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000004359191 558449436 /nfs/dbraw/zinc/44/94/36/558449436.db2.gz YQIIHTUXOLSACA-UHFFFAOYSA-N 0 1 417.918 3.945 50 0 HHAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)[nH]c2c1 ZINC000010789438 558451173 /nfs/dbraw/zinc/45/11/73/558451173.db2.gz IIPNCXPUDZZMJI-UHFFFAOYSA-N 0 1 411.455 3.598 50 0 HHAAMN CN(C)[C@@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccs1 ZINC000021866116 558452758 /nfs/dbraw/zinc/45/27/58/558452758.db2.gz BPMXXICFCXERSF-FQEVSTJZSA-N 0 1 408.523 3.777 50 0 HHAAMN Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000012753402 558459487 /nfs/dbraw/zinc/45/94/87/558459487.db2.gz QVJWSPQIHHOFOD-UHFFFAOYSA-N 0 1 417.575 3.644 50 0 HHAAMN OCCN1CCN(CCO[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022442414 558489708 /nfs/dbraw/zinc/48/97/08/558489708.db2.gz ZAAWVPYDNUHLJE-HXUWFJFHSA-N 0 1 418.990 3.715 50 0 HHAAMN C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)NC(=O)c1ccccc1 ZINC000022619697 558503006 /nfs/dbraw/zinc/50/30/06/558503006.db2.gz MARZVFGFFSPATJ-UWJYYQICSA-N 0 1 413.949 3.802 50 0 HHAAMN Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000022759622 558508259 /nfs/dbraw/zinc/50/82/59/558508259.db2.gz VZDPWKSKGUQXCT-HXUWFJFHSA-N 0 1 413.543 3.894 50 0 HHAAMN OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1cccs1 ZINC000022913620 558520576 /nfs/dbraw/zinc/52/05/76/558520576.db2.gz MADWWQPWNAMDTR-LJQANCHMSA-N 0 1 404.963 3.746 50 0 HHAAMN OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1Cc1ccccc1 ZINC000023360408 558551677 /nfs/dbraw/zinc/55/16/77/558551677.db2.gz ABXUNKFPSUJBEL-HSZRJFAPSA-N 0 1 422.960 3.866 50 0 HHAAMN C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000014196820 558633591 /nfs/dbraw/zinc/63/35/91/558633591.db2.gz FJMUUGDJKVCBPY-SNVBAGLBSA-N 0 1 410.257 3.721 50 0 HHAAMN COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000015065855 558708651 /nfs/dbraw/zinc/70/86/51/558708651.db2.gz XLLBKSDTHAAJPN-QFIPXVFZSA-N 0 1 408.542 3.872 50 0 HHAAMN COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCCN(C(C)=O)CC2)cc1 ZINC000015069819 558711908 /nfs/dbraw/zinc/71/19/08/558711908.db2.gz HDEYJYJSCSCIAP-UHFFFAOYSA-N 0 1 422.504 3.741 50 0 HHAAMN COc1ccc(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c(OC)c1 ZINC000015070897 558712820 /nfs/dbraw/zinc/71/28/20/558712820.db2.gz SQLPRJQZNYCZBJ-FQEVSTJZSA-N 0 1 424.545 3.522 50 0 HHAAMN COc1cc([C@H]2ON=C(CNCc3ccc(Cl)cc3)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015085722 558720430 /nfs/dbraw/zinc/72/04/30/558720430.db2.gz RFNMMGDMDRSNEJ-SGTLLEGYSA-N 0 1 418.877 3.939 50 0 HHAAMN CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000003103595 558750023 /nfs/dbraw/zinc/75/00/23/558750023.db2.gz YWJSOECTGNJITK-OAHLLOKOSA-N 0 1 424.297 3.962 50 0 HHAAMN CCOC(=O)CC(C)=Nc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 ZINC000002675060 558776559 /nfs/dbraw/zinc/77/65/59/558776559.db2.gz JXYUVYCKMSOYDV-PKNBQFBNSA-N 0 1 400.909 3.817 50 0 HHAAMN O=C(CNCCOc1ccccc1F)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000016695492 558800964 /nfs/dbraw/zinc/80/09/64/558800964.db2.gz ARTMPIKNOFHFAB-NRFANRHFSA-N 0 1 406.457 3.961 50 0 HHAAMN COc1ccc(CN(C)C(=O)COC(=O)c2ccc(CN3CCCCC3)s2)cc1 ZINC000072312518 558837782 /nfs/dbraw/zinc/83/77/82/558837782.db2.gz JGHDPRNKJCBTDM-UHFFFAOYSA-N 0 1 416.543 3.558 50 0 HHAAMN CCc1ccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000033032750 558857007 /nfs/dbraw/zinc/85/70/07/558857007.db2.gz YPUCJWJWYCAVQC-UHFFFAOYSA-N 0 1 421.585 3.621 50 0 HHAAMN Cc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)[nH]c2c1 ZINC000033070736 558866344 /nfs/dbraw/zinc/86/63/44/558866344.db2.gz FCTWHSYAOPHMHP-UHFFFAOYSA-N 0 1 421.520 3.576 50 0 HHAAMN CN1CCN(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=O)CC1 ZINC000019360058 558876089 /nfs/dbraw/zinc/87/60/89/558876089.db2.gz YXDCLHHQBVQHRM-LDADJPATSA-N 0 1 417.918 3.841 50 0 HHAAMN Clc1ccc(-n2ncc3c2ncnc3N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057328219 558888186 /nfs/dbraw/zinc/88/81/86/558888186.db2.gz ULZZIRRBCKJXNK-UHFFFAOYSA-N 0 1 404.905 3.791 50 0 HHAAMN CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000058149059 558902315 /nfs/dbraw/zinc/90/23/15/558902315.db2.gz CMVQYKZIXXYXLL-UHFFFAOYSA-N 0 1 404.514 3.716 50 0 HHAAMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000058215744 558912659 /nfs/dbraw/zinc/91/26/59/558912659.db2.gz WUPBTESNZFNMGV-UHFFFAOYSA-N 0 1 402.454 3.732 50 0 HHAAMN Cc1cc(C)cc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1 ZINC000064800141 558965713 /nfs/dbraw/zinc/96/57/13/558965713.db2.gz FABATEDPPSPYLM-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc(N2CCCCC2)n1 ZINC000065364505 558975616 /nfs/dbraw/zinc/97/56/16/558975616.db2.gz GJDXNAVYUBYURK-UHFFFAOYSA-N 0 1 414.941 3.783 50 0 HHAAMN CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000067602027 558987838 /nfs/dbraw/zinc/98/78/38/558987838.db2.gz GFFRTQKELLTWEY-UHFFFAOYSA-N 0 1 401.514 3.846 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)nc(N2CCCCC2)n1 ZINC000067603760 558988171 /nfs/dbraw/zinc/98/81/71/558988171.db2.gz MAIPPAGAELZIJC-UHFFFAOYSA-N 0 1 415.541 3.891 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067817889 558993366 /nfs/dbraw/zinc/99/33/66/558993366.db2.gz CMXFFCZLPVLEBL-UHFFFAOYSA-N 0 1 400.438 3.988 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067817889 558993368 /nfs/dbraw/zinc/99/33/68/558993368.db2.gz CMXFFCZLPVLEBL-UHFFFAOYSA-N 0 1 400.438 3.988 50 0 HHAAMN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4nccs4)C3)CC2)c1 ZINC000067909760 558994682 /nfs/dbraw/zinc/99/46/82/558994682.db2.gz GHWXLXAEEMHUKF-GOSISDBHSA-N 0 1 410.509 3.949 50 0 HHAAMN CCc1nc(SCc2noc(CCC(=O)Nc3c(C)cc(C)cc3C)n2)n[nH]1 ZINC000033270862 559032645 /nfs/dbraw/zinc/03/26/45/559032645.db2.gz UQUFRFALUBTPPL-UHFFFAOYSA-N 0 1 400.508 3.539 50 0 HHAAMN CCc1n[nH]c(SCc2noc(CCC(=O)Nc3c(C)cc(C)cc3C)n2)n1 ZINC000033270862 559032646 /nfs/dbraw/zinc/03/26/46/559032646.db2.gz UQUFRFALUBTPPL-UHFFFAOYSA-N 0 1 400.508 3.539 50 0 HHAAMN Cc1ccc2nc(CNC(=O)c3nc(-c4ccc(N5CCCCC5)cc4)no3)[nH]c2c1 ZINC000033278222 559041574 /nfs/dbraw/zinc/04/15/74/559041574.db2.gz DAOFUDHQVHLUGI-UHFFFAOYSA-N 0 1 416.485 3.842 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C(C)C)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000033278756 559042289 /nfs/dbraw/zinc/04/22/89/559042289.db2.gz PTYJODYWUSMOOB-UHFFFAOYSA-N 0 1 415.921 3.909 50 0 HHAAMN COC(=O)C1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)CC1 ZINC000023321781 559130452 /nfs/dbraw/zinc/13/04/52/559130452.db2.gz PODLGCBMMPQQDB-UHFFFAOYSA-N 0 1 419.481 3.778 50 0 HHAAMN COc1ccccc1CNc1nc(-c2ccco2)nn1C(O)=COc1ccccc1 ZINC000014610885 559171043 /nfs/dbraw/zinc/17/10/43/559171043.db2.gz VQKCPAXUIXLQMX-UHFFFAOYSA-N 0 1 404.426 3.878 50 0 HHAAMN CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@@]2([O-])C(F)(F)F ZINC000033436060 559192492 /nfs/dbraw/zinc/19/24/92/559192492.db2.gz OSUFIZIKVFXQCL-OLBFVZFUSA-N 0 1 406.499 3.667 50 0 HHAAMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000005312627 560564186 /nfs/dbraw/zinc/56/41/86/560564186.db2.gz WFQMJXSLLNPVJM-OAQYLSRUSA-N 0 1 407.539 3.718 50 0 HHAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)c1 ZINC000005343554 560565972 /nfs/dbraw/zinc/56/59/72/560565972.db2.gz JMIRTYRFNYYDEC-QFIPXVFZSA-N 0 1 421.497 3.725 50 0 HHAAMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000017331666 560709391 /nfs/dbraw/zinc/70/93/91/560709391.db2.gz NDQILCLJDROEMA-UHFFFAOYSA-N 0 1 414.449 3.528 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)c1 ZINC000000825858 560725907 /nfs/dbraw/zinc/72/59/07/560725907.db2.gz NLXLJWLFTNXLLP-HGQUKEQDSA-N 0 1 404.532 3.619 50 0 HHAAMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c(Cl)c1 ZINC000085690525 560853147 /nfs/dbraw/zinc/85/31/47/560853147.db2.gz LQQSZTQQXMFUQW-INIZCTEOSA-N 0 1 423.904 3.924 50 0 HHAAMN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690511 560853245 /nfs/dbraw/zinc/85/32/45/560853245.db2.gz NZKZLHXRKBMELS-GOSISDBHSA-N 0 1 403.486 3.579 50 0 HHAAMN CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982502 560858677 /nfs/dbraw/zinc/85/86/77/560858677.db2.gz FCTWSSQCXSTXJF-LEWJYISDSA-N 0 1 402.922 3.733 50 0 HHAAMN CCOC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983613 560859207 /nfs/dbraw/zinc/85/92/07/560859207.db2.gz QTKJEPAJRPVJCC-NHCUHLMSSA-N 0 1 402.922 3.733 50 0 HHAAMN O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1Br ZINC000047032996 560879884 /nfs/dbraw/zinc/87/98/84/560879884.db2.gz VHOBPICWSKGRBL-KRWDZBQOSA-N 0 1 409.349 3.565 50 0 HHAAMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000108377792 568418614 /nfs/dbraw/zinc/41/86/14/568418614.db2.gz HFYFGPHBUAUSQV-SQGPQFPESA-N 0 1 412.452 3.591 50 0 HHAAMN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@@H](c2cccs2)N(C)C)C[C@@H](C)O1 ZINC000047807499 568431240 /nfs/dbraw/zinc/43/12/40/568431240.db2.gz UNEQDSMLZYIGND-MDZRGWNJSA-N 0 1 402.564 3.786 50 0 HHAAMN O=C(Cn1nnc2ccccc21)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000048354360 568441022 /nfs/dbraw/zinc/44/10/22/568441022.db2.gz VYPDMQLXTGQUQT-UHFFFAOYSA-N 0 1 404.380 3.892 50 0 HHAAMN O=C(c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O)N1CCCC1 ZINC000216167831 568463571 /nfs/dbraw/zinc/46/35/71/568463571.db2.gz SAFRITOMXTXJEN-UHFFFAOYSA-N 0 1 405.298 3.711 50 0 HHAAMN O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1cnn(-c2ccccc2)n1 ZINC000008184308 568493606 /nfs/dbraw/zinc/49/36/06/568493606.db2.gz QCVNXPSREVXCMZ-UHFFFAOYSA-N 0 1 411.878 3.583 50 0 HHAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000020153965 568590841 /nfs/dbraw/zinc/59/08/41/568590841.db2.gz KEQPIEDNZOIIPG-UHFFFAOYSA-N 0 1 406.452 3.645 50 0 HHAAMN COc1ccc(-c2cc(NC(=O)[C@H](C)CN3CCOCC3)ccc2OC(F)F)cc1 ZINC000095453094 568615695 /nfs/dbraw/zinc/61/56/95/568615695.db2.gz UVBYIWLAVDXAMS-OAHLLOKOSA-N 0 1 420.456 3.870 50 0 HHAAMN Cc1c(C(=O)Nc2c(F)cccc2F)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000020753810 568641522 /nfs/dbraw/zinc/64/15/22/568641522.db2.gz DCZWRYWJRDVCQY-UHFFFAOYSA-N 0 1 417.485 3.590 50 0 HHAAMN Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2ncnc(N3CCN(C)CC3)c12 ZINC000021636578 568725455 /nfs/dbraw/zinc/72/54/55/568725455.db2.gz BLTVAXNFJFWUCP-UHFFFAOYSA-N 0 1 419.913 3.796 50 0 HHAAMN COC(=O)c1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc1 ZINC000096323573 568732164 /nfs/dbraw/zinc/73/21/64/568732164.db2.gz DSJQTQLEPSKNDN-UHFFFAOYSA-N 0 1 406.485 3.916 50 0 HHAAMN O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324555 568734016 /nfs/dbraw/zinc/73/40/16/568734016.db2.gz OTQNWZCWDAXNBF-UHFFFAOYSA-N 0 1 409.877 3.616 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)c1 ZINC000096324767 568734191 /nfs/dbraw/zinc/73/41/91/568734191.db2.gz RASWEOAOLUQXLD-SFHVURJKSA-N 0 1 403.486 3.579 50 0 HHAAMN CN(C)[C@H](CNS(=O)(=O)c1cccc2ccccc21)c1cn(C)c2ccccc12 ZINC000021696128 568739710 /nfs/dbraw/zinc/73/97/10/568739710.db2.gz IXZHUVYHYQRUBI-JOCHJYFZSA-N 0 1 407.539 3.913 50 0 HHAAMN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3OC(F)(F)C(F)F)ccc2N1 ZINC000226795237 568823955 /nfs/dbraw/zinc/82/39/55/568823955.db2.gz YGEUDTOCJXNNIH-UHFFFAOYSA-N 0 1 418.368 3.609 50 0 HHAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1 ZINC000057315521 568826916 /nfs/dbraw/zinc/82/69/16/568826916.db2.gz HLYPTPVLWFSIRW-IBGZPJMESA-N 0 1 401.510 3.948 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)N2CCCCC2)cc1 ZINC000029755183 568828850 /nfs/dbraw/zinc/82/88/50/568828850.db2.gz QPMLLUUNWOCVIN-JOCHJYFZSA-N 0 1 421.545 3.551 50 0 HHAAMN COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc(C(=O)OC)c1 ZINC000057412282 568833081 /nfs/dbraw/zinc/83/30/81/568833081.db2.gz OLDNMSMDAATKLC-UHFFFAOYSA-N 0 1 413.817 3.556 50 0 HHAAMN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000029837094 568837072 /nfs/dbraw/zinc/83/70/72/568837072.db2.gz CGPBJJNLZWCLAR-UXHICEINSA-N 0 1 419.928 3.653 50 0 HHAAMN C[C@H]1CN(CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000012544218 568849492 /nfs/dbraw/zinc/84/94/92/568849492.db2.gz DUUNTDYLEABOFZ-ROUUACIJSA-N 0 1 404.514 3.526 50 0 HHAAMN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(-c2ccco2)n[nH]1 ZINC000012552473 568854347 /nfs/dbraw/zinc/85/43/47/568854347.db2.gz ZBLWWSGHHGXVQC-UHFFFAOYSA-N 0 1 405.483 3.937 50 0 HHAAMN CCOc1cc2c(cc1NS(=O)(=O)c1cccc(Br)c1)O[C@@H](C)C2 ZINC000012560677 568858169 /nfs/dbraw/zinc/85/81/69/568858169.db2.gz HKFPGRNVNBMECG-NSHDSACASA-N 0 1 412.305 3.972 50 0 HHAAMN COc1ccc([C@@H]2NCC3(CCCC3)c3cc4c(cc32)OCCO4)c(OC)c1OC ZINC000003154373 568858682 /nfs/dbraw/zinc/85/86/82/568858682.db2.gz VLWMWNBLVLEQJO-NRFANRHFSA-N 0 1 411.498 3.988 50 0 HHAAMN CSc1ccc2cc(CNCc3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1 ZINC000299766289 568873753 /nfs/dbraw/zinc/87/37/53/568873753.db2.gz MYBSPXXVNFIFNG-UHFFFAOYSA-N 0 1 423.538 3.812 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCc2ccc(F)cc2)n1 ZINC000003427568 568900742 /nfs/dbraw/zinc/90/07/42/568900742.db2.gz APMRAELSRLMESQ-UHFFFAOYSA-N 0 1 406.870 3.681 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000003446373 568904715 /nfs/dbraw/zinc/90/47/15/568904715.db2.gz OBASSSQRKSVRCW-UHFFFAOYSA-N 0 1 414.458 3.565 50 0 HHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(Br)ccc1F ZINC000031239436 568920260 /nfs/dbraw/zinc/92/02/60/568920260.db2.gz QLWVXYBRQGLBJP-UHFFFAOYSA-N 0 1 420.326 3.530 50 0 HHAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000012744763 568930793 /nfs/dbraw/zinc/93/07/93/568930793.db2.gz FBUVGEVIDCZKFD-UHFFFAOYSA-N 0 1 423.466 3.636 50 0 HHAAMN COc1ccc(Br)cc1CN(C)CCC(=O)N1CCc2ccccc21 ZINC000012775709 568954489 /nfs/dbraw/zinc/95/44/89/568954489.db2.gz SYRFQOOOCXHFQR-UHFFFAOYSA-N 0 1 403.320 3.869 50 0 HHAAMN C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000084651523 568954592 /nfs/dbraw/zinc/95/45/92/568954592.db2.gz SAMVUGKOZGDOOP-AWEZNQCLSA-N 0 1 406.523 3.816 50 0 HHAAMN CCOc1ccc(C2=NC(=O)C(CC(=O)Nc3ccccc3F)S2)cc1OC ZINC000008186409 568980533 /nfs/dbraw/zinc/98/05/33/568980533.db2.gz JCXPOJGZPNUXGN-QGZVFWFLSA-N 0 1 402.447 3.650 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015730781 568981348 /nfs/dbraw/zinc/98/13/48/568981348.db2.gz ZMRCTEGKBXHMDT-SNVBAGLBSA-N 0 1 412.920 3.830 50 0 HHAAMN CCc1ccc(-c2cc(C(=O)N3CCN(Cc4noc5ccccc54)CC3)n[nH]2)cc1 ZINC000015828270 569011881 /nfs/dbraw/zinc/01/18/81/569011881.db2.gz YIDNLLUEVLDSBA-UHFFFAOYSA-N 0 1 415.497 3.738 50 0 HHAAMN COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(F)cc1F ZINC000015864533 569016664 /nfs/dbraw/zinc/01/66/64/569016664.db2.gz GOXOOVGOHYHRSM-UHFFFAOYSA-N 0 1 401.387 3.906 50 0 HHAAMN Cc1ccc(CN2CCCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 ZINC000012916056 569022557 /nfs/dbraw/zinc/02/25/57/569022557.db2.gz KIORWCJXOFOOLA-UHFFFAOYSA-N 0 1 420.509 3.523 50 0 HHAAMN COc1cccc(-c2nc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cs2)c1OC ZINC000012937568 569027927 /nfs/dbraw/zinc/02/79/27/569027927.db2.gz PBVVBRICUPGODO-KRWDZBQOSA-N 0 1 423.538 3.832 50 0 HHAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000239672631 569054479 /nfs/dbraw/zinc/05/44/79/569054479.db2.gz BUIGRYTWMJQJQY-TXPKVOOTSA-N 0 1 418.559 3.531 50 0 HHAAMN C[C@H](C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)N1CCCCCC1 ZINC000089448647 569060548 /nfs/dbraw/zinc/06/05/48/569060548.db2.gz PIEZLAUTRCTMJL-MSOLQXFVSA-N 0 1 404.555 3.851 50 0 HHAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ncc(Cl)cc3Cl)n2)cc1 ZINC000006606414 569071217 /nfs/dbraw/zinc/07/12/17/569071217.db2.gz NQMMDGUZCWVXTP-UHFFFAOYSA-N 0 1 410.286 3.913 50 0 HHAAMN CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4cc(C)[nH]n4)csc3C2)nc1 ZINC000426497364 569073143 /nfs/dbraw/zinc/07/31/43/569073143.db2.gz QCHIZQBHZNJNTG-UHFFFAOYSA-N 0 1 409.559 3.568 50 0 HHAAMN CCSc1ncc(Br)c(C(=O)Nc2nonc2-c2ccccc2)n1 ZINC000006662374 569085442 /nfs/dbraw/zinc/08/54/42/569085442.db2.gz WUNJTGVKZZKHAO-UHFFFAOYSA-N 0 1 406.265 3.653 50 0 HHAAMN CC1CCN(CCNC(=O)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)CC1 ZINC000064746583 569088507 /nfs/dbraw/zinc/08/85/07/569088507.db2.gz LHPJXSKGNSVVLG-UHFFFAOYSA-N 0 1 411.550 3.579 50 0 HHAAMN CCCC(=O)OC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096036 569090038 /nfs/dbraw/zinc/09/00/38/569090038.db2.gz LZJPQKCSYHUARK-HXUWFJFHSA-N 0 1 419.493 3.549 50 0 HHAAMN COc1cc(Nc2ncccc2S(=O)(=O)Nc2ccc(F)cc2)cc(OC)c1 ZINC000064757603 569091074 /nfs/dbraw/zinc/09/10/74/569091074.db2.gz PRVLXTDSMBDVBJ-UHFFFAOYSA-N 0 1 403.435 3.782 50 0 HHAAMN CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146329 569098581 /nfs/dbraw/zinc/09/85/81/569098581.db2.gz LPXHQSOXPKUHHD-SFTDATJTSA-N 0 1 420.912 3.872 50 0 HHAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145909 569098683 /nfs/dbraw/zinc/09/86/83/569098683.db2.gz WYVCMRDEPCENNA-VXKWHMMOSA-N 0 1 414.521 3.997 50 0 HHAAMN CSc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743318 569107964 /nfs/dbraw/zinc/10/79/64/569107964.db2.gz FJNHYAATGHNCFU-NRFANRHFSA-N 0 1 409.511 3.659 50 0 HHAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000006752756 569111310 /nfs/dbraw/zinc/11/13/10/569111310.db2.gz KGVGCFSTUPDYMY-SBUREZEXSA-N 0 1 419.481 3.905 50 0 HHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)cc1 ZINC000006753213 569111787 /nfs/dbraw/zinc/11/17/87/569111787.db2.gz HWNQCERKSJURJK-JOCHJYFZSA-N 0 1 407.470 3.681 50 0 HHAAMN CCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340736 569141501 /nfs/dbraw/zinc/14/15/01/569141501.db2.gz BYCNEWRDZBYGOB-HXUWFJFHSA-N 0 1 416.997 3.875 50 0 HHAAMN CC1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341829 569141627 /nfs/dbraw/zinc/14/16/27/569141627.db2.gz OQHGQKUKNJQEQG-NRFANRHFSA-N 0 1 423.488 3.964 50 0 HHAAMN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](C)O)CC2)c1Cc1ccccc1F ZINC000036340396 569141632 /nfs/dbraw/zinc/14/16/32/569141632.db2.gz XNKYRGVFBSQGRC-GOSISDBHSA-N 0 1 420.532 3.685 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344616 569142668 /nfs/dbraw/zinc/14/26/68/569142668.db2.gz AJHOMZQKLJJABD-VWLOTQADSA-N 0 1 418.585 3.927 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2F)CC1 ZINC000036345468 569143232 /nfs/dbraw/zinc/14/32/32/569143232.db2.gz CIOABFLGNULQSL-XMMPIXPASA-N 0 1 422.548 3.758 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)c(C)n2C)o1 ZINC000065186520 569192104 /nfs/dbraw/zinc/19/21/04/569192104.db2.gz JAUYMCFVLWNVRG-UHFFFAOYSA-N 0 1 424.910 3.717 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C)n1C ZINC000065194175 569192622 /nfs/dbraw/zinc/19/26/22/569192622.db2.gz AMSSXWQTLZBOCA-UHFFFAOYSA-N 0 1 408.430 3.648 50 0 HHAAMN N=C1Nc2nc3ccccc3n2[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000007030622 569201653 /nfs/dbraw/zinc/20/16/53/569201653.db2.gz LRHSQZGSKYBTQM-OAQYLSRUSA-N 0 1 406.453 3.781 50 0 HHAAMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(s2)CN(C2CCCC2)C3)CC1 ZINC000065238952 569203122 /nfs/dbraw/zinc/20/31/22/569203122.db2.gz ZDXJMJXOZGJBHI-UHFFFAOYSA-N 0 1 405.564 3.699 50 0 HHAAMN COC(=O)c1ccc(-c2oc3cc(C)oc(=O)c3c2-c2c(O)cc(C)oc2=O)cc1 ZINC000524731014 569212072 /nfs/dbraw/zinc/21/20/72/569212072.db2.gz GTKBNOJHGUXXTG-UHFFFAOYSA-N 0 1 408.362 3.782 50 0 HHAAMN Cc1[nH]c(S[C@H](C)C(=O)NC(=O)NCc2ccccc2)nc1Cc1ccccc1 ZINC000007099337 569218693 /nfs/dbraw/zinc/21/86/93/569218693.db2.gz QMARIIOBPAAXAB-MRXNPFEDSA-N 0 1 408.527 3.816 50 0 HHAAMN O=C(c1ccn2c(c1)nnc2-c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000065296223 569218922 /nfs/dbraw/zinc/21/89/22/569218922.db2.gz VTTVVECKAPYEIU-UHFFFAOYSA-N 0 1 407.493 3.626 50 0 HHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc(N2CCCCCC2)cc1 ZINC000007093522 569219599 /nfs/dbraw/zinc/21/95/99/569219599.db2.gz WZCDPFASKRJFQI-UHFFFAOYSA-N 0 1 408.531 3.978 50 0 HHAAMN COc1ccc2nc([C@@H](C)NC(=O)[C@@H](C)Oc3ccccc3Br)[nH]c2c1 ZINC000170598436 569242571 /nfs/dbraw/zinc/24/25/71/569242571.db2.gz ALMNFFFQMZMFEG-VXGBXAGGSA-N 0 1 418.291 3.979 50 0 HHAAMN COc1cc(C)c(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1OC ZINC000170599575 569242880 /nfs/dbraw/zinc/24/28/80/569242880.db2.gz BHTGGWLVFILRJG-INIZCTEOSA-N 0 1 408.420 3.926 50 0 HHAAMN Cc1cc(NC(=O)NCCc2nnc(-c3ccccc3)[nH]2)ccc1OC1CCOCC1 ZINC000170617007 569247728 /nfs/dbraw/zinc/24/77/28/569247728.db2.gz MTXWNDHFEJJXQT-UHFFFAOYSA-N 0 1 421.501 3.702 50 0 HHAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000089845676 569267062 /nfs/dbraw/zinc/26/70/62/569267062.db2.gz KQYIBJXNECNJCZ-UHFFFAOYSA-N 0 1 424.478 3.901 50 0 HHAAMN COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CN2CCCCC2)cc1=O ZINC000016974413 569269646 /nfs/dbraw/zinc/26/96/46/569269646.db2.gz OYHBJMLREIPNOD-UHFFFAOYSA-N 0 1 423.435 3.500 50 0 HHAAMN Cc1cc(CN(C)Cc2cc(=O)n3ccsc3n2)cc(C)c1OCC(F)(F)F ZINC000054394290 569277639 /nfs/dbraw/zinc/27/76/39/569277639.db2.gz SBPBGLVHBONCAB-UHFFFAOYSA-N 0 1 411.449 3.946 50 0 HHAAMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)O[C@@H](C)C2 ZINC000017520570 569292510 /nfs/dbraw/zinc/29/25/10/569292510.db2.gz GHMABNGTTSZPJR-NSHDSACASA-N 0 1 412.305 3.972 50 0 HHAAMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OCC ZINC000007927850 569327464 /nfs/dbraw/zinc/32/74/64/569327464.db2.gz FWJBRHXVWPOOSN-UHFFFAOYSA-N 0 1 415.895 3.955 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCCC[C@H]1C ZINC000002294139 569369364 /nfs/dbraw/zinc/36/93/64/569369364.db2.gz ARGLLOMHEHTLDT-LLVKDONJSA-N 0 1 408.296 3.530 50 0 HHAAMN O=C(c1[nH]nnc1Nc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000067284346 571063519 /nfs/dbraw/zinc/06/35/19/571063519.db2.gz KXYNTQSYWWRAOA-UHFFFAOYSA-N 0 1 417.300 3.818 50 0 HHAAMN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(C)c(N(C)C)c1 ZINC000008608313 571093090 /nfs/dbraw/zinc/09/30/90/571093090.db2.gz ISSKDSRKMMOVCT-UHFFFAOYSA-N 0 1 401.488 3.834 50 0 HHAAMN CCCCN1c2ccc(NS(=O)(=O)c3ccc(OC)cc3OC)cc2CCC1=O ZINC000008840757 571123837 /nfs/dbraw/zinc/12/38/37/571123837.db2.gz RVFYQQSCBSOIBS-UHFFFAOYSA-N 0 1 418.515 3.584 50 0 HHAAMN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008892886 571142863 /nfs/dbraw/zinc/14/28/63/571142863.db2.gz RQZSBVWIXSNQNZ-LJQANCHMSA-N 0 1 419.978 3.751 50 0 HHAAMN CCOC(=O)[C@](NC(=O)OC(C)C)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000008974821 571197792 /nfs/dbraw/zinc/19/77/92/571197792.db2.gz FEZKLEQGWRYKGZ-OAHLLOKOSA-N 0 1 405.398 3.665 50 0 HHAAMN CCC(Nc1ccc(N(CC)CC)cc1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000008974797 571197911 /nfs/dbraw/zinc/19/79/11/571197911.db2.gz KQQSNHFGNSIEIW-QZQOTICOSA-N 0 1 420.513 3.887 50 0 HHAAMN CCC(Nc1ccc([NH+](CC)CC)cc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008974797 571197914 /nfs/dbraw/zinc/19/79/14/571197914.db2.gz KQQSNHFGNSIEIW-QZQOTICOSA-N 0 1 420.513 3.887 50 0 HHAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009170241 571233609 /nfs/dbraw/zinc/23/36/09/571233609.db2.gz SJBBSSAAEDGHAN-UHFFFAOYSA-N 0 1 424.906 3.531 50 0 HHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1cccs1 ZINC000009305085 571246494 /nfs/dbraw/zinc/24/64/94/571246494.db2.gz ZSRITQYMQYKMPO-UHFFFAOYSA-N 0 1 407.447 3.922 50 0 biogenic HHAAMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000070007201 571253711 /nfs/dbraw/zinc/25/37/11/571253711.db2.gz MRIQRHLRZWLXGY-IRXDYDNUSA-N 0 1 410.499 3.719 50 0 HHAAMN CCn1c2nc(SCc3cc(C(=O)OC)ccc3OC)[nH]c(=O)c2sc1=S ZINC000009410408 571255882 /nfs/dbraw/zinc/25/58/82/571255882.db2.gz XBBMZAIUEZLFBP-UHFFFAOYSA-N 0 1 423.541 3.623 50 0 HHAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1C(=O)N1CCCC1 ZINC000009684329 571279450 /nfs/dbraw/zinc/27/94/50/571279450.db2.gz GUGNJNRRFWHKMV-UHFFFAOYSA-N 0 1 401.532 3.547 50 0 HHAAMN COc1cccc(N2C[C@@H]3C[C@@H](c4cc(OC)cc(OC)c4)N4CCC[C@@]34C2=O)c1 ZINC000011843554 962202163 /nfs/dbraw/zinc/20/21/63/962202163.db2.gz XFEZRRZMDPHHNK-OWSXEPHWSA-N 0 1 408.498 3.655 50 0 HHAAMN Cc1c([C@H](C)NC(=O)CN2CCC(c3ccccc3)CC2)cnn1-c1ccccn1 ZINC000011936825 962212074 /nfs/dbraw/zinc/21/20/74/962212074.db2.gz WKLYBYOSLAMPHN-SFHVURJKSA-N 0 1 403.530 3.633 50 0 HHAAMN CCn1ncc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1C ZINC000012074483 962233558 /nfs/dbraw/zinc/23/35/58/962233558.db2.gz NWWCJIPIUALKEL-UHFFFAOYSA-N 0 1 410.562 3.881 50 0 HHAAMN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000012434488 962279592 /nfs/dbraw/zinc/27/95/92/962279592.db2.gz VQZVDDPZASIRKT-NRFANRHFSA-N 0 1 409.530 3.566 50 0 HHAAMN C[C@H]1CN(CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000039399477 966491985 /nfs/dbraw/zinc/49/19/85/966491985.db2.gz AHEOTJSPZQIZCU-UGKGYDQZSA-N 0 1 406.526 3.781 50 0 HHAAMN O=C(NCc1ccco1)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 ZINC000169777161 970479625 /nfs/dbraw/zinc/47/96/25/970479625.db2.gz XNMVLJAJZXOCCK-UHFFFAOYSA-N 0 1 417.509 3.942 50 0 HHAAMN COc1ccc(CN2CCC[C@@H](c3[nH]ccc3C(=O)N(C)C)C2)c(Cl)c1OC ZINC000409420172 972890677 /nfs/dbraw/zinc/89/06/77/972890677.db2.gz ZFADLKWWECXNSW-OAHLLOKOSA-N 0 1 405.926 3.767 50 0 HHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000004711712 132285330 /nfs/dbraw/zinc/28/53/30/132285330.db2.gz UOSKRQLIJLDPNR-UHFFFAOYSA-N 0 1 415.921 3.829 50 0 HHAAMN Cn1nc(C(=O)Nc2ccccc2N2CCN(C)CC2)c2c1-c1ccccc1SC2 ZINC000006781347 132316068 /nfs/dbraw/zinc/31/60/68/132316068.db2.gz NUWQJNKDHZMTEM-UHFFFAOYSA-N 0 1 419.554 3.697 50 0 HHAAMN Nc1cc(N)nc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1 ZINC000006830484 132318202 /nfs/dbraw/zinc/31/82/02/132318202.db2.gz XJVMAHJAMLIFFX-OAHLLOKOSA-N 0 1 409.540 3.613 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)N1CCN(c2ccccc2)CC1 ZINC000008617196 132331722 /nfs/dbraw/zinc/33/17/22/132331722.db2.gz ULLDOWCFJWUKBH-UHFFFAOYSA-N 0 1 413.934 3.566 50 0 HHAAMN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 ZINC000008840543 132333667 /nfs/dbraw/zinc/33/36/67/132333667.db2.gz HQXIGMYXNRSNEH-UHFFFAOYSA-N 0 1 423.332 3.939 50 0 HHAAMN Cc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)ccc1N1CCN(C)CC1 ZINC000012537280 132362283 /nfs/dbraw/zinc/36/22/83/132362283.db2.gz WOGCKSUVBQRGOZ-QFIPXVFZSA-N 0 1 409.530 3.557 50 0 HHAAMN COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000012554301 132363384 /nfs/dbraw/zinc/36/33/84/132363384.db2.gz SCYKNSDUFAPWFI-UHFFFAOYSA-N 0 1 407.436 3.647 50 0 HHAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCCC[C@@H]43)C2=O)cc1 ZINC000025185104 132486043 /nfs/dbraw/zinc/48/60/43/132486043.db2.gz JYLLIHUHWDLDPD-JPYJTQIMSA-N 0 1 423.444 3.859 50 0 HHAAMN CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[nH]1 ZINC000032948415 520495670 /nfs/dbraw/zinc/49/56/70/520495670.db2.gz HJWNZKUBZLNFAU-UHFFFAOYSA-N 0 1 420.585 3.774 50 0 HHAAMN COc1cc(-c2n[nH]cc2CN2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000020598700 521901370 /nfs/dbraw/zinc/90/13/70/521901370.db2.gz SDXNCQDFXXVQOQ-HXUWFJFHSA-N 0 1 422.529 3.591 50 0 HHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2)c1 ZINC000040266301 521986386 /nfs/dbraw/zinc/98/63/86/521986386.db2.gz JBGQXQLSHDXLRS-HXUWFJFHSA-N 0 1 408.433 3.823 50 0 HHAAMN COc1ccc(-c2n[nH]c(NC(=O)COc3ccc(Oc4ccccn4)cc3)n2)cc1 ZINC000032786892 523253981 /nfs/dbraw/zinc/25/39/81/523253981.db2.gz AWBUXNDIIIKSAW-UHFFFAOYSA-N 0 1 417.425 3.685 50 0 HHAAMN CC(=O)N1CCOc2cc(S(=O)(=O)Nc3cccc(Cl)c3C)c(Cl)cc21 ZINC000006893149 534802601 /nfs/dbraw/zinc/80/26/01/534802601.db2.gz PZPMWJDKNGOZCO-UHFFFAOYSA-N 0 1 415.298 3.848 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)N2CCCCC2)cc1 ZINC000032841501 525186549 /nfs/dbraw/zinc/18/65/49/525186549.db2.gz LVIARDWQSZQTOX-JOCHJYFZSA-N 0 1 407.514 3.537 50 0 HHAAMN COc1cccc(CNC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1 ZINC000020574566 525993628 /nfs/dbraw/zinc/99/36/28/525993628.db2.gz HETLCTGYACENPA-UHFFFAOYSA-N 0 1 419.529 3.625 50 0 HHAAMN C[C@H](c1ccc(Cl)cc1Cl)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032777582 526052746 /nfs/dbraw/zinc/05/27/46/526052746.db2.gz RFMNTIGAZSXKKY-GFCCVEGCSA-N 0 1 403.331 3.713 50 0 HHAAMN O=C([O-])[C@H](c1c[nH]c2ccccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032073508 526315373 /nfs/dbraw/zinc/31/53/73/526315373.db2.gz QMXLYGVMAQZJFH-IBGZPJMESA-N 0 1 418.419 3.920 50 0 HHAAMN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000043806183 527300258 /nfs/dbraw/zinc/30/02/58/527300258.db2.gz WPDRQAUNYGNIFP-UHFFFAOYSA-N 0 1 423.473 3.914 50 0 HHAAMN Cn1nc(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n(-c2ccccc2)c1=O ZINC000077100633 527553018 /nfs/dbraw/zinc/55/30/18/527553018.db2.gz CFWHUWUBOGIMQC-UHFFFAOYSA-N 0 1 416.447 3.969 50 0 HHAAMN CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OC[C@H]1CCCO1 ZINC000000853929 557101953 /nfs/dbraw/zinc/10/19/53/557101953.db2.gz HDWVVZKNCFAWCI-IFMALSPDSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN CC1=NC(=O)N[C@H](c2cccc(OCc3ccccc3)c2)C1C(=O)OC[C@@H]1CCCO1 ZINC000000853935 557102177 /nfs/dbraw/zinc/10/21/77/557102177.db2.gz JUVNOQZQZGPOCX-RBBKRZOGSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)n1 ZINC000000917621 557117829 /nfs/dbraw/zinc/11/78/29/557117829.db2.gz PYSLSHYZMGMNRC-HNNXBMFYSA-N 0 1 410.499 3.718 50 0 HHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000001184950 557233171 /nfs/dbraw/zinc/23/31/71/557233171.db2.gz YYIVZPOKEZGJEU-GOSISDBHSA-N 0 1 416.861 3.773 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCCOC(C)C ZINC000004616339 557572918 /nfs/dbraw/zinc/57/29/18/557572918.db2.gz GPOZKBAFUCAXSJ-QFIPXVFZSA-N 0 1 424.497 3.862 50 0 HHAAMN CC[C@H](CO)NCc1cc(OC)c(OCCc2ccccc2)cc1Br ZINC000005065282 557633527 /nfs/dbraw/zinc/63/35/27/557633527.db2.gz HCQNABIGGQPROO-QGZVFWFLSA-N 0 1 408.336 3.940 50 0 HHAAMN Cc1nc(CSc2ccc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc2)cs1 ZINC000022694141 557782738 /nfs/dbraw/zinc/78/27/38/557782738.db2.gz SZHKYRHOWDBNMO-LJQANCHMSA-N 0 1 419.616 3.830 50 0 HHAAMN COc1ccc(CN2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cc1 ZINC000011661973 558265964 /nfs/dbraw/zinc/26/59/64/558265964.db2.gz AMJBTEHBZMMFNI-UHFFFAOYSA-N 0 1 408.498 3.928 50 0 HHAAMN O=C(CCC1CCN(C(=O)c2cnc[nH]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000011664315 558267874 /nfs/dbraw/zinc/26/78/74/558267874.db2.gz WODNWDRZZLPFBP-UHFFFAOYSA-N 0 1 408.546 3.523 50 0 HHAAMN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 ZINC000011789376 558277205 /nfs/dbraw/zinc/27/72/05/558277205.db2.gz LTGFDJYRRCCBDQ-JXFKEZNVSA-N 0 1 418.488 3.612 50 0 HHAAMN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C[C@H]1CCC(=O)N1)C(C)C ZINC000011844655 558289320 /nfs/dbraw/zinc/28/93/20/558289320.db2.gz MULCUDBIOJSHQU-CYBMUJFWSA-N 0 1 405.882 3.521 50 0 HHAAMN O=S(=O)(c1ccc(F)c(F)c1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000012151061 558339163 /nfs/dbraw/zinc/33/91/63/558339163.db2.gz XTRAWHZINXJBCM-UHFFFAOYSA-N 0 1 403.454 3.923 50 0 HHAAMN Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)NCc2ccco2)c1 ZINC000012373753 558391106 /nfs/dbraw/zinc/39/11/06/558391106.db2.gz KOGXXAXJALQUIE-UHFFFAOYSA-N 0 1 405.498 3.956 50 0 HHAAMN CCOc1cc(/C=C2\NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000012411588 558401003 /nfs/dbraw/zinc/40/10/03/558401003.db2.gz YSDKVWUHRQAGGK-DHDCSXOGSA-N 0 1 417.259 3.607 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Cl)cc1 ZINC000020723541 558403939 /nfs/dbraw/zinc/40/39/39/558403939.db2.gz DJEYENVQKYATDV-AWEZNQCLSA-N 0 1 402.241 3.774 50 0 HHAAMN CC(C)CN1CCO[C@@H](COC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000072015846 558429166 /nfs/dbraw/zinc/42/91/66/558429166.db2.gz PKYQEWRLPTUHMQ-OXHGWOFKSA-N 0 1 410.514 3.574 50 0 HHAAMN COc1cccc(-c2cc(CC3(O)CCN(Cc4ccccc4OC)CC3)on2)c1 ZINC000012594144 558436905 /nfs/dbraw/zinc/43/69/05/558436905.db2.gz UCGUDXVYFBPCHN-UHFFFAOYSA-N 0 1 408.498 3.928 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)N2CCCCC2)cc1 ZINC000022685684 558504610 /nfs/dbraw/zinc/50/46/10/558504610.db2.gz NSLCUIVZEITFLM-OAQYLSRUSA-N 0 1 410.514 3.814 50 0 HHAAMN COc1ccc(Cc2nc3sc4c(c3c(N3CCN(C)CC3)n2)CCC4)cc1OC ZINC000013041874 558507690 /nfs/dbraw/zinc/50/76/90/558507690.db2.gz BDJOBUIFOAEWID-UHFFFAOYSA-N 0 1 424.570 3.540 50 0 HHAAMN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022803398 558513545 /nfs/dbraw/zinc/51/35/45/558513545.db2.gz JEMUAIQPRKDVNQ-SFHVURJKSA-N 0 1 417.509 3.713 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023936960 558581838 /nfs/dbraw/zinc/58/18/38/558581838.db2.gz LRAIUMJOWIOOSS-UHFFFAOYSA-N 0 1 403.511 3.644 50 0 HHAAMN O=C(Cn1c2ccccc2nc1C(F)(F)F)NC[C@@H](c1ccco1)N1CCCC1 ZINC000014067502 558616800 /nfs/dbraw/zinc/61/68/00/558616800.db2.gz DFLZVRPVGIDGHK-INIZCTEOSA-N 0 1 406.408 3.601 50 0 HHAAMN C[C@@H]1CN(CCCNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000014187302 558631487 /nfs/dbraw/zinc/63/14/87/558631487.db2.gz UFVOYJCGNSYLHV-HDICACEKSA-N 0 1 424.570 3.830 50 0 HHAAMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000026299707 558658619 /nfs/dbraw/zinc/65/86/19/558658619.db2.gz ZIXHHZJJVCNDCX-WZONZLPQSA-N 0 1 403.530 3.796 50 0 HHAAMN CCn1cc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 ZINC000014966570 558685954 /nfs/dbraw/zinc/68/59/54/558685954.db2.gz NYZRZCHSOKSAFF-KRWDZBQOSA-N 0 1 400.954 3.616 50 0 HHAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)N(Cc3ccc(OC)c(C)c3)C2)cc1 ZINC000014993157 558695051 /nfs/dbraw/zinc/69/50/51/558695051.db2.gz ONJCJYDEILLOKG-RTWAWAEBSA-N 0 1 414.571 3.836 50 0 HHAAMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)cc2C[C@@H]1C ZINC000028680839 558703522 /nfs/dbraw/zinc/70/35/22/558703522.db2.gz CLFJTCFMRNZUFE-NSHDSACASA-N 0 1 414.405 3.684 50 0 HHAAMN COC[C@H]1CCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 ZINC000015069053 558711526 /nfs/dbraw/zinc/71/15/26/558711526.db2.gz MDVIDXPFXZMFLX-NRFANRHFSA-N 0 1 423.557 3.542 50 0 HHAAMN CCN(CC)c1ccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1 ZINC000000783627 558835801 /nfs/dbraw/zinc/83/58/01/558835801.db2.gz XFYAJGSVARDVMI-LDADJPATSA-N 0 1 414.303 3.757 50 0 HHAAMN COC(=O)c1ccc([C@@H]2c3c(C)[nH]nc3C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000013571710 558844615 /nfs/dbraw/zinc/84/46/15/558844615.db2.gz JEFGGIFRQAMUMX-JOCHJYFZSA-N 0 1 414.465 3.774 50 0 HHAAMN OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019228902 558853163 /nfs/dbraw/zinc/85/31/63/558853163.db2.gz RGCVKNLCSQQDEP-UHFFFAOYSA-N 0 1 403.979 3.943 50 0 fda HHAAMN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)cc1 ZINC000068732608 558864733 /nfs/dbraw/zinc/86/47/33/558864733.db2.gz JUMPIBDMJASZOB-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN CN1CCN(CN2C(=O)S/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)CC1 ZINC000019360018 558876044 /nfs/dbraw/zinc/87/60/44/558876044.db2.gz KMWAGLGADMTHKQ-LDADJPATSA-N 0 1 417.918 3.841 50 0 HHAAMN CC(=O)c1ccc(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055270239 558878086 /nfs/dbraw/zinc/87/80/86/558878086.db2.gz VSOKGLAEAMIXDI-QHCPKHFHSA-N 0 1 406.530 3.708 50 0 HHAAMN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cnc(SC)nc2)C1 ZINC000055576124 558883224 /nfs/dbraw/zinc/88/32/24/558883224.db2.gz BOIDZSPBIWRGQC-JOCHJYFZSA-N 0 1 415.559 3.595 50 0 HHAAMN CCN1CCN(c2ncnc3sc(C(=O)NC4CCCCCCC4)c(C)c32)CC1 ZINC000033048443 558885859 /nfs/dbraw/zinc/88/58/59/558885859.db2.gz OHUADFHPUPGKJW-UHFFFAOYSA-N 0 1 415.607 3.984 50 0 HHAAMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCCC[C@@H]1Cc1ccccc1 ZINC000058179822 558910101 /nfs/dbraw/zinc/91/01/01/558910101.db2.gz UMQFLSQQZSKJEN-LJQANCHMSA-N 0 1 413.949 3.834 50 0 HHAAMN COc1ccc([C@H](CC(=O)N2CCC(N3CCOCC3)CC2)c2ccccc2)cc1 ZINC000019536285 558913758 /nfs/dbraw/zinc/91/37/58/558913758.db2.gz ZTQSWFJYUMRDTB-XMMPIXPASA-N 0 1 408.542 3.540 50 0 HHAAMN OCC[C@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CCN1Cc1ccccc1 ZINC000019595592 558946143 /nfs/dbraw/zinc/94/61/43/558946143.db2.gz HALIIDAOGDHSLF-QHCPKHFHSA-N 0 1 410.949 3.595 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(N2CCCC2)n1 ZINC000064800079 558965753 /nfs/dbraw/zinc/96/57/53/558965753.db2.gz CLARHUBRCHASAQ-UHFFFAOYSA-N 0 1 414.941 3.701 50 0 HHAAMN CN1CCCC[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673275 558991068 /nfs/dbraw/zinc/99/10/68/558991068.db2.gz KEMOEUZWPIVOPM-IBGZPJMESA-N 0 1 400.906 3.918 50 0 HHAAMN COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](CCC(=O)[O-])C4)nc12 ZINC000067688445 558991547 /nfs/dbraw/zinc/99/15/47/558991547.db2.gz LFLRMTRLKLVNAX-UHFFFAOYSA-N 0 1 422.481 3.897 50 0 HHAAMN COc1cc(Cl)cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1OC ZINC000097463733 559118789 /nfs/dbraw/zinc/11/87/89/559118789.db2.gz GLMPSZZIRBGOBQ-NRFANRHFSA-N 0 1 418.965 3.734 50 0 HHAAMN Cn1c2ccc(S(=O)(=O)Nc3ccccc3SC3CCCC3)cc2n(C)c1=O ZINC000050531778 559187317 /nfs/dbraw/zinc/18/73/17/559187317.db2.gz NVESMZGVPFPPDH-UHFFFAOYSA-N 0 1 417.556 3.713 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000005121088 559247890 /nfs/dbraw/zinc/24/78/90/559247890.db2.gz FXFSNJWTHHMUBY-UHFFFAOYSA-N 0 1 410.451 3.777 50 0 HHAAMN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc3c2N1CCC3 ZINC000005154202 559253519 /nfs/dbraw/zinc/25/35/19/559253519.db2.gz XUMNUUFYOCWDTO-UHFFFAOYSA-N 0 1 410.417 3.732 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000101113122 560537855 /nfs/dbraw/zinc/53/78/55/560537855.db2.gz FUQKGAWRINVOJB-YNRUKEMPSA-N 0 1 418.559 3.865 50 0 HHAAMN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCCC[C@H]1CC ZINC000005478285 560595142 /nfs/dbraw/zinc/59/51/42/560595142.db2.gz QRVLGIRAXSUGRT-OAHLLOKOSA-N 0 1 401.507 3.946 50 0 HHAAMN CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2CC)c2cc(OC)ccc2n1C ZINC000005490237 560598078 /nfs/dbraw/zinc/59/80/78/560598078.db2.gz NEMWHDCVHYOYMG-OAHLLOKOSA-N 0 1 401.507 3.567 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1Br ZINC000000813078 560725796 /nfs/dbraw/zinc/72/57/96/560725796.db2.gz HYADBFUXVFEUTA-UHFFFAOYSA-N 0 1 406.685 3.921 50 0 HHAAMN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000024429206 560808637 /nfs/dbraw/zinc/80/86/37/560808637.db2.gz PPBTZJMXJFPFML-UHFFFAOYSA-N 0 1 411.321 3.778 50 0 HHAAMN COc1ccc(C2=C3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3N(c3ccccc3)N2)cc1 ZINC000103514536 560842825 /nfs/dbraw/zinc/84/28/25/560842825.db2.gz RRVQBSIBMVQEEV-RBBKRZOGSA-N 0 1 415.424 3.617 50 0 HHAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000085690429 560852912 /nfs/dbraw/zinc/85/29/12/560852912.db2.gz PKWQKALJVGYVLQ-HNNXBMFYSA-N 0 1 409.877 3.616 50 0 HHAAMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc4ccccc43)[nH]n2)CC1 ZINC000044838838 560897594 /nfs/dbraw/zinc/89/75/94/560897594.db2.gz YLZNAKADSQPDOQ-UHFFFAOYSA-N 0 1 406.486 3.923 50 0 HHAAMN CCCSc1nnc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)s1 ZINC000046086981 568428239 /nfs/dbraw/zinc/42/82/39/568428239.db2.gz SIJCHJJYVHYRRW-UHFFFAOYSA-N 0 1 406.489 3.965 50 0 HHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000046146356 568430609 /nfs/dbraw/zinc/43/06/09/568430609.db2.gz YSSKONCBSSMQIN-HSZRJFAPSA-N 0 1 416.569 3.916 50 0 HHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935275 568464737 /nfs/dbraw/zinc/46/47/37/568464737.db2.gz MLNKILJMEGYMMZ-HNNXBMFYSA-N 0 1 414.527 3.882 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3C[C@H](C)C[C@H](C)C3)cc12 ZINC000020153761 568590832 /nfs/dbraw/zinc/59/08/32/568590832.db2.gz GOODFGGXVXZAFS-CALCHBBNSA-N 0 1 411.619 3.970 50 0 HHAAMN O=C(NCCCN1CCCCCC1=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000040071873 568612176 /nfs/dbraw/zinc/61/21/76/568612176.db2.gz SGWOGAKEZGDSOT-QHCPKHFHSA-N 0 1 419.529 3.744 50 0 HHAAMN O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095989773 568677897 /nfs/dbraw/zinc/67/78/97/568677897.db2.gz HFYFGPHBUAUSQV-FUHIMQAGSA-N 0 1 412.452 3.591 50 0 HHAAMN CC(=O)c1cccc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000096012658 568684913 /nfs/dbraw/zinc/68/49/13/568684913.db2.gz JUZPWSYXBMVNNN-MRXNPFEDSA-N 0 1 403.364 3.937 50 0 HHAAMN Cc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096098622 568689783 /nfs/dbraw/zinc/68/97/83/568689783.db2.gz ZXANHSYKKDIUMQ-UHFFFAOYSA-N 0 1 400.426 3.513 50 0 HHAAMN CCOC(=O)C1CCN(C(=O)CCc2ccc3nc(-c4ccccc4)[nH]c3c2)CC1 ZINC000096363668 568739533 /nfs/dbraw/zinc/73/95/33/568739533.db2.gz QFBBHYMRYHTXBX-UHFFFAOYSA-N 0 1 405.498 3.964 50 0 HHAAMN CN(C)[C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1cn(C)c2ccccc12 ZINC000021696103 568739655 /nfs/dbraw/zinc/73/96/55/568739655.db2.gz JDYHPGCIJOKVIX-FQEVSTJZSA-N 0 1 405.951 3.554 50 0 HHAAMN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2cccc(Br)c2)o1 ZINC000096379605 568741202 /nfs/dbraw/zinc/74/12/02/568741202.db2.gz XAFTVGPGXPMSLI-UHFFFAOYSA-N 0 1 411.281 3.553 50 0 HHAAMN CC(C)c1n[nH]c(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)n1 ZINC000018955628 568744569 /nfs/dbraw/zinc/74/45/69/568744569.db2.gz DPXNVOHAFONUIY-SFHVURJKSA-N 0 1 404.536 3.695 50 0 HHAAMN CC(C)c1nc(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)n[nH]1 ZINC000018955628 568744572 /nfs/dbraw/zinc/74/45/72/568744572.db2.gz DPXNVOHAFONUIY-SFHVURJKSA-N 0 1 404.536 3.695 50 0 HHAAMN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000018956718 568744593 /nfs/dbraw/zinc/74/45/93/568744593.db2.gz KQLVIYIJQJIOMW-UHFFFAOYSA-N 0 1 403.891 3.738 50 0 HHAAMN Cc1nc(-c2ccc(N3CCN(C(=O)c4[nH]nc5ccccc54)CC3)nc2)sc1C ZINC000096397777 568746399 /nfs/dbraw/zinc/74/63/99/568746399.db2.gz UNNZUIUNLBUSFZ-UHFFFAOYSA-N 0 1 418.526 3.661 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)N2CCN(C)CC2)cc1 ZINC000022579723 568770704 /nfs/dbraw/zinc/77/07/04/568770704.db2.gz XJEHKKQVQUIIKM-HXUWFJFHSA-N 0 1 422.356 3.721 50 0 HHAAMN CN1CCN([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 ZINC000022579560 568770742 /nfs/dbraw/zinc/77/07/42/568770742.db2.gz HJGUTMYNYNFTAA-IBGZPJMESA-N 0 1 409.427 3.563 50 0 HHAAMN Cc1nc2c(cnn2CCc2ccccc2)c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000055412341 568774752 /nfs/dbraw/zinc/77/47/52/568774752.db2.gz GAJZUBACSFGYGH-UHFFFAOYSA-N 0 1 412.541 3.700 50 0 HHAAMN CCN(Cc1ccccc1)CC1=NC(=O)N[C@@H](c2cccc(Cl)c2)C1C(=O)OC ZINC000057415033 568833808 /nfs/dbraw/zinc/83/38/08/568833808.db2.gz HMPAZDFROMUKQO-FQEVSTJZSA-N 0 1 413.905 3.643 50 0 HHAAMN CCc1nc(C)c([C@H](C)N(C)CC(=O)NC[C@H](c2ccco2)N(CC)CC)s1 ZINC000230088842 568834563 /nfs/dbraw/zinc/83/45/63/568834563.db2.gz PYZLSYXOQDDPCN-DLBZAZTESA-N 0 1 406.596 3.799 50 0 HHAAMN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000029837106 568837102 /nfs/dbraw/zinc/83/71/02/568837102.db2.gz CGPBJJNLZWCLAR-PMACEKPBSA-N 0 1 419.928 3.653 50 0 HHAAMN Cn1cc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1C(N)=O ZINC000012525879 568842880 /nfs/dbraw/zinc/84/28/80/568842880.db2.gz NCUMDUJJBIZTHF-UHFFFAOYSA-N 0 1 421.931 3.729 50 0 HHAAMN CCOC(=O)C1CCN(C[C@@H](O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000003253327 568868150 /nfs/dbraw/zinc/86/81/50/568868150.db2.gz OYPZQYOPVLISBX-GFCCVEGCSA-N 0 1 410.725 3.662 50 0 HHAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCc2cccnc2)CC1 ZINC000004035071 568879119 /nfs/dbraw/zinc/87/91/19/568879119.db2.gz ZZFWKQIIXGUOMU-UHFFFAOYSA-N 0 1 404.514 3.882 50 0 HHAAMN CCOC(=O)c1cc(C(=O)c2ccccc2O)cn2c(=O)c3c(C)c(C)sc3nc12 ZINC000003418970 568899438 /nfs/dbraw/zinc/89/94/38/568899438.db2.gz SJMJCEGOCSMTOZ-UHFFFAOYSA-N 0 1 422.462 3.639 50 0 HHAAMN O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)nc1 ZINC000003566439 568916319 /nfs/dbraw/zinc/91/63/19/568916319.db2.gz MYPZIMOSIMMTOY-UHFFFAOYSA-N 0 1 403.895 3.521 50 0 HHAAMN O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000004576690 568934241 /nfs/dbraw/zinc/93/42/41/568934241.db2.gz GQWFTSVUOGLZKM-HSZRJFAPSA-N 0 1 424.566 3.882 50 0 HHAAMN CCCCc1nn2c(nc(CSc3nc(-c4cccc(C)c4)n[nH]3)cc2=O)s1 ZINC000015731868 568982189 /nfs/dbraw/zinc/98/21/89/568982189.db2.gz JFDHRJCUSOIXEH-UHFFFAOYSA-N 0 1 412.544 3.879 50 0 HHAAMN COc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1 ZINC000085664654 569006573 /nfs/dbraw/zinc/00/65/73/569006573.db2.gz MISKODNDPPUMFM-UHFFFAOYSA-N 0 1 417.434 3.644 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1C ZINC000104459126 569008597 /nfs/dbraw/zinc/00/85/97/569008597.db2.gz IDSPXTPRHQLSJC-OAQYLSRUSA-N 0 1 400.588 3.794 50 0 HHAAMN Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)cc1 ZINC000104469133 569008850 /nfs/dbraw/zinc/00/88/50/569008850.db2.gz PZCSKNDBULZYLA-HSZRJFAPSA-N 0 1 408.521 3.593 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000016027007 569026635 /nfs/dbraw/zinc/02/66/35/569026635.db2.gz XELZJZRNKWSHBN-WEBUEUPWSA-N 0 1 411.889 3.619 50 0 HHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000016230443 569030184 /nfs/dbraw/zinc/03/01/84/569030184.db2.gz BVBOTXHVBZXCCJ-UHFFFAOYSA-N 0 1 405.376 3.786 50 0 HHAAMN CC(C)c1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000035380447 569034523 /nfs/dbraw/zinc/03/45/23/569034523.db2.gz JPUSPCZMAFUGHR-QHCPKHFHSA-N 0 1 405.542 3.702 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000006316899 569040313 /nfs/dbraw/zinc/04/03/13/569040313.db2.gz KJKWKXIRWDJLKJ-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN Cc1ccc(CN2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385583 569052251 /nfs/dbraw/zinc/05/22/51/569052251.db2.gz MEZUOHRSBTYQEF-HSZRJFAPSA-N 0 1 418.541 3.646 50 0 HHAAMN COCCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097206 569090276 /nfs/dbraw/zinc/09/02/76/569090276.db2.gz HZSIGRCNSKUDIZ-LJQANCHMSA-N 0 1 423.937 3.636 50 0 HHAAMN O[C@H](COc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102559 569092057 /nfs/dbraw/zinc/09/20/57/569092057.db2.gz QSXKVNGHHPSOIW-NRFANRHFSA-N 0 1 409.457 3.997 50 0 HHAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145908 569098630 /nfs/dbraw/zinc/09/86/30/569098630.db2.gz WYVCMRDEPCENNA-YADHBBJMSA-N 0 1 414.521 3.997 50 0 HHAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000064837405 569104418 /nfs/dbraw/zinc/10/44/18/569104418.db2.gz DLUKMXZIQDBMKC-UHFFFAOYSA-N 0 1 400.456 3.970 50 0 HHAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OC)cc1 ZINC000006744934 569107556 /nfs/dbraw/zinc/10/75/56/569107556.db2.gz YPKQSELKVPCRNP-QFIPXVFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 ZINC000006744921 569107617 /nfs/dbraw/zinc/10/76/17/569107617.db2.gz JAQQRQFTRYOGDH-QFIPXVFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006752757 569111276 /nfs/dbraw/zinc/11/12/76/569111276.db2.gz KGVGCFSTUPDYMY-UZUQRXQVSA-N 0 1 419.481 3.905 50 0 HHAAMN CCC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340734 569141533 /nfs/dbraw/zinc/14/15/33/569141533.db2.gz BYCNEWRDZBYGOB-FQEVSTJZSA-N 0 1 416.997 3.875 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021138 569154237 /nfs/dbraw/zinc/15/42/37/569154237.db2.gz USFPEZBGDUXHAV-UHFFFAOYSA-N 0 1 402.516 3.776 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c(C)n1C ZINC000065194174 569192665 /nfs/dbraw/zinc/19/26/65/569192665.db2.gz GOLMGIMWBKKROA-UHFFFAOYSA-N 0 1 404.467 3.818 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)Nc2cc(F)ccc2C)c(C)n1C ZINC000065194182 569192672 /nfs/dbraw/zinc/19/26/72/569192672.db2.gz UUYLCCKASNOHIY-UHFFFAOYSA-N 0 1 404.467 3.818 50 0 HHAAMN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2cccc(F)c2)c1C ZINC000065194604 569192768 /nfs/dbraw/zinc/19/27/68/569192768.db2.gz BBAXAALJZBUVMC-UHFFFAOYSA-N 0 1 404.467 3.992 50 0 HHAAMN CCCN(CC1CC1)C(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000007251974 569230442 /nfs/dbraw/zinc/23/04/42/569230442.db2.gz IAMSNXLAFWEPSH-UHFFFAOYSA-N 0 1 409.353 3.975 50 0 HHAAMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000170601578 569243182 /nfs/dbraw/zinc/24/31/82/569243182.db2.gz CIJWEBHZLAOZOK-UHFFFAOYSA-N 0 1 415.456 3.621 50 0 HHAAMN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000014349006 569259671 /nfs/dbraw/zinc/25/96/71/569259671.db2.gz SFPPLYREUYTXGE-UHFFFAOYSA-N 0 1 408.889 3.895 50 0 HHAAMN COc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c(CN2CCCCC2)cc1=O ZINC000016974439 569269680 /nfs/dbraw/zinc/26/96/80/569269680.db2.gz NEIPTNOAWXIZCP-UHFFFAOYSA-N 0 1 423.435 3.500 50 0 HHAAMN CCCCOc1ccc(-c2nnc(CN3CCC[C@H]3[C@H]3CCCN3C(C)=O)o2)cc1 ZINC000252477544 569288528 /nfs/dbraw/zinc/28/85/28/569288528.db2.gz QLZSJWNOJVEJFI-LEWJYISDSA-N 0 1 412.534 3.891 50 0 HHAAMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000007729035 569303563 /nfs/dbraw/zinc/30/35/63/569303563.db2.gz BWWVUUWUTVCWNO-UHFFFAOYSA-N 0 1 409.389 3.895 50 0 HHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1N1CCCC1=O ZINC000007815141 569312763 /nfs/dbraw/zinc/31/27/63/569312763.db2.gz GLTMVAGHSVFLES-UHFFFAOYSA-N 0 1 411.933 3.861 50 0 HHAAMN O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cc(-c2ccc(Br)s2)n[nH]1 ZINC000253623906 569389291 /nfs/dbraw/zinc/38/92/91/569389291.db2.gz SJSBYPBJIFLZJR-UHFFFAOYSA-N 0 1 416.260 3.802 50 0 HHAAMN COCCn1cc(C(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c2ccccc2c1=O ZINC000079473867 569431324 /nfs/dbraw/zinc/43/13/24/569431324.db2.gz FYODFENDQUNDSS-UHFFFAOYSA-N 0 1 404.470 3.900 50 0 HHAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000067284224 571063163 /nfs/dbraw/zinc/06/31/63/571063163.db2.gz WAKBHKSIICQXEN-UHFFFAOYSA-N 0 1 410.909 3.727 50 0 HHAAMN CC(=O)c1cc2c(cc1NC(=O)CSc1nc(Cc3ccccc3)c(C)[nH]1)OCO2 ZINC000008813182 571121055 /nfs/dbraw/zinc/12/10/55/571121055.db2.gz IUCDLKFNKAWOOC-UHFFFAOYSA-N 0 1 423.494 3.971 50 0 HHAAMN COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008815959 571121274 /nfs/dbraw/zinc/12/12/74/571121274.db2.gz MWFMXIJNNMCHJT-LJQANCHMSA-N 0 1 422.510 3.753 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCCC2)cc1 ZINC000008867643 571129276 /nfs/dbraw/zinc/12/92/76/571129276.db2.gz DGKIEZUGTSMSOJ-NRFANRHFSA-N 0 1 406.482 3.759 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)N2CCCC2)cc1 ZINC000008879354 571131168 /nfs/dbraw/zinc/13/11/68/571131168.db2.gz RTPVDTPQRNUXNP-HSZRJFAPSA-N 0 1 404.514 3.507 50 0 HHAAMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000040071870 571152312 /nfs/dbraw/zinc/15/23/12/571152312.db2.gz KHTFWAWYEABQBL-OAQYLSRUSA-N 0 1 407.518 3.718 50 0 HHAAMN O=C(NCCCN1CCCCCC1=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000040071874 571152314 /nfs/dbraw/zinc/15/23/14/571152314.db2.gz SGWOGAKEZGDSOT-HSZRJFAPSA-N 0 1 419.529 3.744 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000040103947 571164735 /nfs/dbraw/zinc/16/47/35/571164735.db2.gz DYAIGMVPEKFDGV-UHFFFAOYSA-N 0 1 400.498 3.640 50 0 HHAAMN O=c1[nH]c2ccccc2n1C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000009216628 571237345 /nfs/dbraw/zinc/23/73/45/571237345.db2.gz IGPBFBWIEGKJFL-UHFFFAOYSA-N 0 1 403.486 3.649 50 0 HHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(F)cc2)c(C)n1C ZINC000009685306 571279852 /nfs/dbraw/zinc/27/98/52/571279852.db2.gz PPBCOTBYDPQULA-UHFFFAOYSA-N 0 1 407.511 3.598 50 0 HHAAMN O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccc(Cl)c(Cl)c1 ZINC000009708788 571280939 /nfs/dbraw/zinc/28/09/39/571280939.db2.gz WBEZNGVCPSOWLU-UHFFFAOYSA-N 0 1 416.311 3.836 50 0 HHAAMN COc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc(OC)c1OC ZINC000071281426 571290773 /nfs/dbraw/zinc/29/07/73/571290773.db2.gz WVLZBWGOAFEOQC-UHFFFAOYSA-N 0 1 404.426 3.903 50 0 HHAAMN CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000010214428 571296780 /nfs/dbraw/zinc/29/67/80/571296780.db2.gz CXEDLZKMBBJOOW-IBGZPJMESA-N 0 1 421.497 3.779 50 0 HHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](C)N3CCCC3)cc12 ZINC000071811796 571301989 /nfs/dbraw/zinc/30/19/89/571301989.db2.gz YBZZPHUVSGLOBQ-AWEZNQCLSA-N 0 1 400.523 3.808 50 0 HHAAMN COc1cc(COCC2CCN(CC(=O)N3CCc4ccccc43)CC2)cc(OC)c1 ZINC000077191420 571312219 /nfs/dbraw/zinc/31/22/19/571312219.db2.gz MEFVMZBIMZSQMT-UHFFFAOYSA-N 0 1 424.541 3.522 50 0 HHAAMN O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000021886321 571315161 /nfs/dbraw/zinc/31/51/61/571315161.db2.gz QAECKKIXVXAKJB-UHFFFAOYSA-N 0 1 413.456 3.903 50 0 HHAAMN Cn1cc(CN2CCC[C@@H](C(=O)c3ccccc3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012056109 962231226 /nfs/dbraw/zinc/23/12/26/962231226.db2.gz MKRVPXIFQNTXNH-HXUWFJFHSA-N 0 1 417.509 3.953 50 0 HHAAMN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(O)c(Cl)c3)N3CCC[C@@]23C1=O ZINC000012299151 962267386 /nfs/dbraw/zinc/26/73/86/962267386.db2.gz FPVFUTWVQPGHPI-LTMIRXACSA-N 0 1 412.917 3.992 50 0 HHAAMN CCN(Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000012306329 962268483 /nfs/dbraw/zinc/26/84/83/962268483.db2.gz ZCUMKJZEGNTIHV-KRWDZBQOSA-N 0 1 411.930 3.549 50 0 HHAAMN O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1[nH]nc2ccccc21 ZINC000012317232 962270193 /nfs/dbraw/zinc/27/01/93/962270193.db2.gz KXDGRJDPJUCYBU-HNNXBMFYSA-N 0 1 405.527 3.815 50 0 HHAAMN Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)c(C)cc1Cl ZINC000012434546 962278543 /nfs/dbraw/zinc/27/85/43/962278543.db2.gz LAPZPUGWSBIQQC-LJQANCHMSA-N 0 1 421.994 3.679 50 0 HHAAMN COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 ZINC000012470205 962285986 /nfs/dbraw/zinc/28/59/86/962285986.db2.gz BUOAUVZTDOBLNV-IHHMQQGQSA-N 0 1 412.555 3.828 50 0 HHAAMN Cc1ccc([C@@H](C)CCN2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 ZINC000014748277 962567917 /nfs/dbraw/zinc/56/79/17/962567917.db2.gz PUNKYBXDPMHCBG-KRWDZBQOSA-N 0 1 406.530 3.803 50 0 HHAAMN Cc1cc(C(=O)NC[C@H](C)Oc2cccc(CN(C)Cc3ccsc3)c2)n(C)n1 ZINC000014959019 962614754 /nfs/dbraw/zinc/61/47/54/962614754.db2.gz KTLAPJWRTHQCGA-KRWDZBQOSA-N 0 1 412.559 3.619 50 0 HHAAMN Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3ccsc3)c2)n(C)n1 ZINC000014959023 962615044 /nfs/dbraw/zinc/61/50/44/962615044.db2.gz KTLAPJWRTHQCGA-QGZVFWFLSA-N 0 1 412.559 3.619 50 0 HHAAMN COc1ccc2nc(CNC(=O)c3ccc(-c4ccccc4C)nc3N(C)C)[nH]c2c1 ZINC000019641578 963372369 /nfs/dbraw/zinc/37/23/69/963372369.db2.gz HXEXMAGYEYNSNK-UHFFFAOYSA-N 0 1 415.497 3.938 50 0 HHAAMN COc1ccc(-c2noc(CN3CC[C@@H](c4ccc(F)cc4)C3)n2)c(OC)c1OC ZINC000020994948 963410896 /nfs/dbraw/zinc/41/08/96/963410896.db2.gz CBIPHGRENOYLIG-OAHLLOKOSA-N 0 1 413.449 3.891 50 0 HHAAMN COc1cccc(N2CC[N@H+]([C@H](C(=O)[O-])c3cc(F)ccc3OC)CC2(C)C)c1 ZINC000055165982 965772470 /nfs/dbraw/zinc/77/24/70/965772470.db2.gz ATKLYPQGXSEQEA-FQEVSTJZSA-N 0 1 402.466 3.569 50 0 HHAAMN COc1ccc(N[C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000055325164 965818152 /nfs/dbraw/zinc/81/81/52/965818152.db2.gz HFHVUMHYWXULLZ-KRWDZBQOSA-N 0 1 402.564 3.837 50 0 HHAAMN COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(Cc1cc(C)[nH]n1)CC2 ZINC000067847077 968784315 /nfs/dbraw/zinc/78/43/15/968784315.db2.gz OUCARQKGXGUVOY-UHFFFAOYSA-N 0 1 404.514 3.856 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071661511 968853517 /nfs/dbraw/zinc/85/35/17/968853517.db2.gz ROCOHXSCIJWISJ-QGZVFWFLSA-N 0 1 405.454 3.995 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071661511 968853524 /nfs/dbraw/zinc/85/35/24/968853524.db2.gz ROCOHXSCIJWISJ-QGZVFWFLSA-N 0 1 405.454 3.995 50 0 HHAAMN Cc1ccc(NC(=S)N(CCCN2CCN(C)CC2)Cc2cccs2)cc1 ZINC000101215046 969195581 /nfs/dbraw/zinc/19/55/81/969195581.db2.gz YKIABGDNPRUMTP-UHFFFAOYSA-N 0 1 402.633 3.893 50 0 HHAAMN COc1ccc(CN2CCC[C@H](COc3ccccc3C(=O)NC3CC3)C2)c(OC)c1 ZINC000169775434 970478304 /nfs/dbraw/zinc/47/83/04/970478304.db2.gz LNNCLLMEPFWAEH-SFHVURJKSA-N 0 1 424.541 3.887 50 0 HHAAMN Cc1ncsc1CN1CCC(N2C(=O)[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257187298 970621875 /nfs/dbraw/zinc/62/18/75/970621875.db2.gz ALXPYYSLCBNEIK-HXUWFJFHSA-N 0 1 403.592 3.756 50 0 HHAAMN Cc1ncsc1CN1CCC(N2C(=O)[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257187296 970622287 /nfs/dbraw/zinc/62/22/87/970622287.db2.gz ALXPYYSLCBNEIK-FQEVSTJZSA-N 0 1 403.592 3.756 50 0 HHAAMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000479572225 999484282 /nfs/dbraw/zinc/48/42/82/999484282.db2.gz BESOIQATELCBRI-UHFFFAOYSA-N 0 1 410.293 3.536 50 0 HHAAMN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000004917841 132294263 /nfs/dbraw/zinc/29/42/63/132294263.db2.gz GDYYOZDPDCUPME-CALCHBBNSA-N 0 1 412.530 3.839 50 0 HHAAMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(c2ccccc2)CC1 ZINC000008117931 132327514 /nfs/dbraw/zinc/32/75/14/132327514.db2.gz LIWUYHAKFFNWSI-UHFFFAOYSA-N 0 1 411.303 3.802 50 0 HHAAMN CC(C)c1nc2ccc(C(=O)NCCCN3CCN(c4ccccc4)CC3)cc2o1 ZINC000008611388 132331629 /nfs/dbraw/zinc/33/16/29/132331629.db2.gz LMXAHTTUTWLYAB-UHFFFAOYSA-N 0 1 406.530 3.893 50 0 HHAAMN CC[NH+](CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008974269 132334342 /nfs/dbraw/zinc/33/43/42/132334342.db2.gz HSXWKJXLERPSNB-CAPFRKAQSA-N 0 1 406.486 3.810 50 0 HHAAMN CC[NH+](CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000009111612 132335912 /nfs/dbraw/zinc/33/59/12/132335912.db2.gz QSFRRHNSEUKOLK-HMMYKYKNSA-N 0 1 422.485 3.510 50 0 HHAAMN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000032943672 519605740 /nfs/dbraw/zinc/60/57/40/519605740.db2.gz JTAWSUDRZXRBAO-UHFFFAOYSA-N 0 1 416.446 3.965 50 0 HHAAMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000032759398 520839935 /nfs/dbraw/zinc/83/99/35/520839935.db2.gz IPVDHDWVKHKXMX-SFHVURJKSA-N 0 1 414.930 3.849 50 0 HHAAMN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000032759401 520868717 /nfs/dbraw/zinc/86/87/17/520868717.db2.gz IPVDHDWVKHKXMX-GOSISDBHSA-N 0 1 414.930 3.849 50 0 HHAAMN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000020574907 521383364 /nfs/dbraw/zinc/38/33/64/521383364.db2.gz ROHJBYMGHTVOFI-UHFFFAOYSA-N 0 1 415.309 3.680 50 0 HHAAMN COC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000020569568 522306032 /nfs/dbraw/zinc/30/60/32/522306032.db2.gz HYBGNYMAILBPGY-UHFFFAOYSA-N 0 1 416.480 3.588 50 0 HHAAMN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCc2ccccc21 ZINC000029485918 522497529 /nfs/dbraw/zinc/49/75/29/522497529.db2.gz XEIPDXWWCNSVLR-GOSISDBHSA-N 0 1 415.419 3.844 50 0 HHAAMN CN(CC(=O)Nc1cccc(I)c1)[C@H]1CCc2ccccc21 ZINC000029483706 522512081 /nfs/dbraw/zinc/51/20/81/522512081.db2.gz RYADEAPQVOSKCF-KRWDZBQOSA-N 0 1 406.267 3.849 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)c1cncn1-c1ccc(F)cc1)N1CCCC1 ZINC000032841468 524732849 /nfs/dbraw/zinc/73/28/49/524732849.db2.gz IBXSJIBJRPLSOS-HXUWFJFHSA-N 0 1 408.477 3.587 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000032902426 524791571 /nfs/dbraw/zinc/79/15/71/524791571.db2.gz SQSGALJBOWSLFV-ZVQQDINOSA-N 0 1 416.525 3.847 50 0 HHAAMN O=C([O-])[C@@H](c1c[nH]c2ccccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032073510 527657206 /nfs/dbraw/zinc/65/72/06/527657206.db2.gz QMXLYGVMAQZJFH-LJQANCHMSA-N 0 1 418.419 3.920 50 0 HHAAMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Br ZINC000000636787 557029833 /nfs/dbraw/zinc/02/98/33/557029833.db2.gz FGFZQUIJHWSMKN-UHFFFAOYSA-N 0 1 406.685 3.921 50 0 HHAAMN O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000791033 557081285 /nfs/dbraw/zinc/08/12/85/557081285.db2.gz HCOVGIUHRNGGGY-UHFFFAOYSA-N 0 1 417.874 3.553 50 0 HHAAMN COc1ccc(CCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000000795468 557082894 /nfs/dbraw/zinc/08/28/94/557082894.db2.gz GATHMCLYZHNDDY-UHFFFAOYSA-N 0 1 416.949 3.928 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000000829040 557095023 /nfs/dbraw/zinc/09/50/23/557095023.db2.gz PXJBEBKSVYFWQR-UHFFFAOYSA-N 0 1 416.890 3.800 50 0 HHAAMN Cc1ccc(N2CCN(Cc3ccc(C(=O)NCc4ccccn4)cc3)CC2)cc1C ZINC000034668107 557361611 /nfs/dbraw/zinc/36/16/11/557361611.db2.gz YVEZRGPOXKXWJV-UHFFFAOYSA-N 0 1 414.553 3.951 50 0 HHAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1cccc(F)c1 ZINC000034685310 557388321 /nfs/dbraw/zinc/38/83/21/557388321.db2.gz FPAFALZLCHGXMR-UHFFFAOYSA-N 0 1 417.528 3.849 50 0 HHAAMN CCOC(=O)[C@](NC(=O)Nc1ccccc1)(Nc1ccccc1OC)C(F)(F)F ZINC000003138629 557450474 /nfs/dbraw/zinc/45/04/74/557450474.db2.gz COAYCZQOTQXSIA-GOSISDBHSA-N 0 1 411.380 3.751 50 0 HHAAMN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)CC(C)C ZINC000034814882 557465549 /nfs/dbraw/zinc/46/55/49/557465549.db2.gz IMPDMVOLGOYBGF-UHFFFAOYSA-N 0 1 411.594 3.717 50 0 HHAAMN O=C(N[C@@H]1CCCc2ccccc21)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2 ZINC000034789612 557469839 /nfs/dbraw/zinc/46/98/39/557469839.db2.gz DNPUILFRAJVQAR-HXUWFJFHSA-N 0 1 418.472 3.555 50 0 HHAAMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000004426833 557554569 /nfs/dbraw/zinc/55/45/69/557554569.db2.gz FUQKGAWRINVOJB-AFTNEDFKSA-N 0 1 418.559 3.865 50 0 HHAAMN Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)[nH]1 ZINC000005433543 557653375 /nfs/dbraw/zinc/65/33/75/557653375.db2.gz AVQFYXRKQJCPIP-UHFFFAOYSA-N 0 1 410.322 3.730 50 0 HHAAMN Cc1n[nH]c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000005433543 557653377 /nfs/dbraw/zinc/65/33/77/557653377.db2.gz AVQFYXRKQJCPIP-UHFFFAOYSA-N 0 1 410.322 3.730 50 0 HHAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1ccco1 ZINC000002973782 557775852 /nfs/dbraw/zinc/77/58/52/557775852.db2.gz YMQZTRFUFIASGQ-UHFFFAOYSA-N 0 1 422.304 3.511 50 0 HHAAMN CN1CCN([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)c2ccc(F)cc2)CC1 ZINC000022794787 557822290 /nfs/dbraw/zinc/82/22/90/557822290.db2.gz HTYRANFZFSFGNP-IBGZPJMESA-N 0 1 410.320 3.851 50 0 HHAAMN COc1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000019866904 558298820 /nfs/dbraw/zinc/29/88/20/558298820.db2.gz OEGXEZHLEMPXLG-UHFFFAOYSA-N 0 1 408.477 3.871 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000011935755 558299933 /nfs/dbraw/zinc/29/99/33/558299933.db2.gz KHZKUQAPSQJZNT-AWEZNQCLSA-N 0 1 404.898 3.651 50 0 HHAAMN COc1ccc(OC)c(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109980 558335285 /nfs/dbraw/zinc/33/52/85/558335285.db2.gz KYLZADTZPJMZPS-HXUWFJFHSA-N 0 1 413.537 3.630 50 0 HHAAMN Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020166562 558342981 /nfs/dbraw/zinc/34/29/81/558342981.db2.gz IGLVHPCDDMUATD-FQEVSTJZSA-N 0 1 410.587 3.824 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000020373663 558358734 /nfs/dbraw/zinc/35/87/34/558358734.db2.gz ZOMCYNIDKGXOKU-UHFFFAOYSA-N 0 1 400.526 3.994 50 0 HHAAMN COCCNC(=O)c1ccc(OC)cc1OC1CCN(C/C=C/c2ccccc2)CC1 ZINC000012297653 558367680 /nfs/dbraw/zinc/36/76/80/558367680.db2.gz JDHVZQXTDOOMCP-RMKNXTFCSA-N 0 1 424.541 3.628 50 0 HHAAMN CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1nc2ccc(F)cc2[nH]1 ZINC000012303449 558373031 /nfs/dbraw/zinc/37/30/31/558373031.db2.gz JDNJRQRRSUJAHH-UHFFFAOYSA-N 0 1 422.508 3.854 50 0 HHAAMN CCCc1cc(CN(C)C(=O)c2cc(COc3ccccc3SC)on2)n[nH]1 ZINC000012317077 558380513 /nfs/dbraw/zinc/38/05/13/558380513.db2.gz VDJTXWBTZWUHEX-UHFFFAOYSA-N 0 1 400.504 3.923 50 0 HHAAMN CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012317975 558381456 /nfs/dbraw/zinc/38/14/56/558381456.db2.gz XHHVFPIFKNSBSN-DEOSSOPVSA-N 0 1 423.557 3.766 50 0 HHAAMN CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000012332551 558385815 /nfs/dbraw/zinc/38/58/15/558385815.db2.gz IKIKLHCVDXAMCT-QFIPXVFZSA-N 0 1 416.525 3.778 50 0 HHAAMN CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000012572948 558429706 /nfs/dbraw/zinc/42/97/06/558429706.db2.gz JFRYTHFUTWYWOA-UHFFFAOYSA-N 0 1 401.478 3.928 50 0 HHAAMN COCc1cc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000012717759 558455771 /nfs/dbraw/zinc/45/57/71/558455771.db2.gz ASKWYPXFBXZFND-LJQANCHMSA-N 0 1 413.514 3.954 50 0 HHAAMN O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000022018943 558458335 /nfs/dbraw/zinc/45/83/35/558458335.db2.gz KCOMSSIOGGUAGX-LJQANCHMSA-N 0 1 400.519 3.598 50 0 HHAAMN Cn1cc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1 ZINC000012760118 558460867 /nfs/dbraw/zinc/46/08/67/558460867.db2.gz AFJCTLZQQAGXEZ-UHFFFAOYSA-N 0 1 416.953 3.789 50 0 HHAAMN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(CCc2ccccc2)CC1 ZINC000022242937 558471890 /nfs/dbraw/zinc/47/18/90/558471890.db2.gz BETXVIUZLZMLOJ-SANMLTNESA-N 0 1 416.565 3.954 50 0 HHAAMN C[C@H](NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995941 558498593 /nfs/dbraw/zinc/49/85/93/558498593.db2.gz HSGYQRONQBZKBM-FDDCHVKYSA-N 0 1 422.550 3.711 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(C)c1C ZINC000022853399 558517262 /nfs/dbraw/zinc/51/72/62/558517262.db2.gz IAUOFQLPOPMPBS-HXUWFJFHSA-N 0 1 404.501 3.659 50 0 HHAAMN Cc1cc(NC(=O)CN2CCN(CCc3ccccc3)CC2)ccc1Br ZINC000022912854 558520069 /nfs/dbraw/zinc/52/00/69/558520069.db2.gz JMSNTPIDOUGWIP-UHFFFAOYSA-N 0 1 416.363 3.556 50 0 HHAAMN Cc1cc(C)c(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000023129635 558536855 /nfs/dbraw/zinc/53/68/55/558536855.db2.gz LTVYVQZJRFFSKI-NRFANRHFSA-N 0 1 410.587 3.619 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000013551267 558539099 /nfs/dbraw/zinc/53/90/99/558539099.db2.gz FUQKGAWRINVOJB-LROULRCXSA-N 0 1 418.559 3.865 50 0 HHAAMN O=C1c2ccccc2[C@H](NCCCN2CCOCC2)N1[C@@H]1CCCc2ccccc21 ZINC000023504879 558560265 /nfs/dbraw/zinc/56/02/65/558560265.db2.gz ZCEQVZRJMTYIAP-DNQXCXABSA-N 0 1 405.542 3.531 50 0 HHAAMN CCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(C2CCCCC2)c1=O ZINC000013957322 558607842 /nfs/dbraw/zinc/60/78/42/558607842.db2.gz MHWWQOWOQGQVHP-UHFFFAOYSA-N 0 1 417.531 3.756 50 0 HHAAMN CCNC(=O)NC(=O)[C@@H](Sc1nc(Cc2ccccc2)c(C)[nH]1)c1ccccc1 ZINC000004492637 558609966 /nfs/dbraw/zinc/60/99/66/558609966.db2.gz ZUPXRQPREPRDRJ-IBGZPJMESA-N 0 1 408.527 3.988 50 0 HHAAMN CSc1ncc(C(=O)NC[C@H](c2ccsc2)N(C)C)n1-c1ccc(F)cc1 ZINC000025332075 558638718 /nfs/dbraw/zinc/63/87/18/558638718.db2.gz BZKVJSZQOYUECR-MRXNPFEDSA-N 0 1 404.536 3.828 50 0 HHAAMN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc(OC)c1OC ZINC000027741164 558680790 /nfs/dbraw/zinc/68/07/90/558680790.db2.gz PCYOLLDAVSOJQP-MRXNPFEDSA-N 0 1 404.532 3.731 50 0 HHAAMN Cc1ccc(Sc2ccc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)cc2)c(C)c1 ZINC000028198341 558692483 /nfs/dbraw/zinc/69/24/83/558692483.db2.gz LNXWFZVVYRAUKW-UHFFFAOYSA-N 0 1 415.540 3.693 50 0 HHAAMN CCN(CC)[C@H](C(=O)NCc1ccc(NC(N)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000072284282 558715869 /nfs/dbraw/zinc/71/58/69/558715869.db2.gz HKNVTIYEPBTYHM-SFHVURJKSA-N 0 1 422.451 3.895 50 0 HHAAMN CC(C)OC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000000841416 558835683 /nfs/dbraw/zinc/83/56/83/558835683.db2.gz IXBJNSVFPVYAIZ-XSFVSMFZSA-N 0 1 416.433 3.973 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCC1 ZINC000033077454 558868659 /nfs/dbraw/zinc/86/86/59/558868659.db2.gz YISBSUCKICYMOP-UHFFFAOYSA-N 0 1 400.500 3.575 50 0 HHAAMN COC(=O)c1ccc(N2CCN(Cc3c[nH]nc3-c3cc4ccccc4o3)CC2)cc1 ZINC000055569088 558882839 /nfs/dbraw/zinc/88/28/39/558882839.db2.gz UMIKBMUDIWMVHN-UHFFFAOYSA-N 0 1 416.481 3.932 50 0 HHAAMN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048316 558885387 /nfs/dbraw/zinc/88/53/87/558885387.db2.gz LECUCMVQLZJOPQ-UHFFFAOYSA-N 0 1 415.950 3.966 50 0 HHAAMN COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(OC)c1OC ZINC000004679079 558890207 /nfs/dbraw/zinc/89/02/07/558890207.db2.gz BAUYDDVNKPTALS-UHFFFAOYSA-N 0 1 411.458 3.555 50 0 HHAAMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCCC[C@H]1Cc1ccccc1 ZINC000058179823 558910136 /nfs/dbraw/zinc/91/01/36/558910136.db2.gz UMQFLSQQZSKJEN-IBGZPJMESA-N 0 1 413.949 3.834 50 0 HHAAMN CCOC(=O)c1c(NC(=O)CNCc2ccc(F)cc2)sc2c1CC[C@@H](C)C2 ZINC000058219049 558913188 /nfs/dbraw/zinc/91/31/88/558913188.db2.gz ZHTQLCQRIUIUSX-CYBMUJFWSA-N 0 1 404.507 3.917 50 0 HHAAMN CCC[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058341323 558920342 /nfs/dbraw/zinc/92/03/42/558920342.db2.gz BDRABATXNHENBH-IBGZPJMESA-N 0 1 423.492 3.839 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2cccc(Cl)c2C)n1 ZINC000072115501 558926622 /nfs/dbraw/zinc/92/66/22/558926622.db2.gz HFWKIUUOVIUEML-UHFFFAOYSA-N 0 1 402.930 3.971 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)n1 ZINC000065361803 558972536 /nfs/dbraw/zinc/97/25/36/558972536.db2.gz JBKOWZVDJHLCAY-UHFFFAOYSA-N 0 1 412.513 3.577 50 0 HHAAMN CCc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 ZINC000065365520 558976410 /nfs/dbraw/zinc/97/64/10/558976410.db2.gz KPHIKRKYWVBTIN-UHFFFAOYSA-N 0 1 408.550 3.692 50 0 HHAAMN COc1cccc(-c2nc3cc4c(cc3cc2CN2CCCOCC2)OCO4)c1OC ZINC000072448152 558982617 /nfs/dbraw/zinc/98/26/17/558982617.db2.gz GNEDFDPUEREYCZ-UHFFFAOYSA-N 0 1 422.481 3.870 50 0 HHAAMN COc1cc(-c2ccc(C(F)(F)F)cn2)cc2c1OCCN(Cc1cnc[nH]1)C2 ZINC000067540966 558987146 /nfs/dbraw/zinc/98/71/46/558987146.db2.gz VRAGOPHQNWVLGT-UHFFFAOYSA-N 0 1 404.392 3.894 50 0 HHAAMN Cc1cc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)ccc1N1CCCC1=O ZINC000011486634 559078340 /nfs/dbraw/zinc/07/83/40/559078340.db2.gz CXAJYHSXYVVQGV-UHFFFAOYSA-N 0 1 418.453 3.535 50 0 HHAAMN O=C(CC[C@H]1CCCN(Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 ZINC000095501133 559082283 /nfs/dbraw/zinc/08/22/83/559082283.db2.gz GOZTYOLDBPZTKM-MRXNPFEDSA-N 0 1 402.489 3.805 50 0 HHAAMN Cc1cccc(-c2ncc(CN3CCN(Cc4ccccc4C)[C@@H](CCO)C3)cn2)c1 ZINC000023358043 559173144 /nfs/dbraw/zinc/17/31/44/559173144.db2.gz PHGLOOLLTQJPKE-VWLOTQADSA-N 0 1 416.569 3.829 50 0 HHAAMN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(C)CC2)cc1 ZINC000023477131 559176226 /nfs/dbraw/zinc/17/62/26/559176226.db2.gz DAPDQEPBCKGHCC-RUZDIDTESA-N 0 1 417.553 3.556 50 0 HHAAMN COC(=O)c1ccc2c(c1)nc(CSc1nc(Cc3ccccc3)c(C)[nH]1)[nH]c2=O ZINC000023941217 559186208 /nfs/dbraw/zinc/18/62/08/559186208.db2.gz AHXWCHGUEHOPTQ-UHFFFAOYSA-N 0 1 420.494 3.624 50 0 HHAAMN CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1F ZINC000004878912 559195944 /nfs/dbraw/zinc/19/59/44/559195944.db2.gz MHPDEOHIHHFETI-OAHLLOKOSA-N 0 1 409.259 3.812 50 0 HHAAMN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1cccnc1 ZINC000005144790 559252380 /nfs/dbraw/zinc/25/23/80/559252380.db2.gz YAFJRWSTUWGTGJ-UHFFFAOYSA-N 0 1 409.515 3.720 50 0 HHAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000005343642 560566588 /nfs/dbraw/zinc/56/65/88/560566588.db2.gz LVZUAPLWQJMFAN-KSFYIVLOSA-N 0 1 405.454 3.515 50 0 HHAAMN O=C1C2ON=C(c3ccc(Br)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000101070766 560770830 /nfs/dbraw/zinc/77/08/30/560770830.db2.gz WYZKGYKOYGOCGM-PKOBYXMFSA-N 0 1 421.250 3.895 50 0 HHAAMN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCCC1=O ZINC000012735442 560786365 /nfs/dbraw/zinc/78/63/65/560786365.db2.gz NYQRBWNJSJEWCK-UHFFFAOYSA-N 0 1 409.305 3.685 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000102685759 560821240 /nfs/dbraw/zinc/82/12/40/560821240.db2.gz GWSSOODOEXHBJQ-NWDGAFQWSA-N 0 1 422.323 3.776 50 0 HHAAMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1C ZINC000085690530 560853155 /nfs/dbraw/zinc/85/31/55/560853155.db2.gz KYNXUZAQCNEMPU-SFHVURJKSA-N 0 1 403.486 3.579 50 0 HHAAMN COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983844 560858899 /nfs/dbraw/zinc/85/88/99/560858899.db2.gz SWEBFGJOZJHYJF-WOJBJXKFSA-N 0 1 423.340 3.996 50 0 HHAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984313 560858905 /nfs/dbraw/zinc/85/89/05/560858905.db2.gz WYVCMRDEPCENNA-FCHUYYIVSA-N 0 1 414.521 3.997 50 0 HHAAMN C[C@@H]1CN(C(=O)Nc2ccccc2O[C@H]2CCOC2)[C@H](C)CN1Cc1ccccc1 ZINC000108150422 560898135 /nfs/dbraw/zinc/89/81/35/560898135.db2.gz GCCSGAHCZZOYRH-SBHAEUEKSA-N 0 1 409.530 3.981 50 0 HHAAMN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Br)n2nnnc2N1 ZINC000045896108 568421339 /nfs/dbraw/zinc/42/13/39/568421339.db2.gz IIJQAQUSCLSCBH-MRXNPFEDSA-N 0 1 418.295 3.600 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)C4CCCCC4)CC3)n[nH]2)c(C)c1 ZINC000049406649 568449039 /nfs/dbraw/zinc/44/90/39/568449039.db2.gz TWKASLMFYRAMCA-UHFFFAOYSA-N 0 1 408.546 3.995 50 0 HHAAMN CCCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)c1 ZINC000006753046 568458492 /nfs/dbraw/zinc/45/84/92/568458492.db2.gz BKICMSNMERHOHP-QHCPKHFHSA-N 0 1 421.497 3.889 50 0 HHAAMN CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)o1 ZINC000225531050 568647885 /nfs/dbraw/zinc/64/78/85/568647885.db2.gz WGBAQBBRQYRTRP-UHFFFAOYSA-N 0 1 413.286 3.910 50 0 HHAAMN COc1cc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc(OC)c1 ZINC000021097280 568664983 /nfs/dbraw/zinc/66/49/83/568664983.db2.gz SZPNPPGZNFWEAI-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN CC[C@@H](NCCOC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000096199293 568666641 /nfs/dbraw/zinc/66/66/41/568666641.db2.gz PTVCIRKYPLDLPL-QGZVFWFLSA-N 0 1 416.319 3.835 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cccc(Cl)c2)c(C)n1C ZINC000021155806 568673527 /nfs/dbraw/zinc/67/35/27/568673527.db2.gz WKGZGFKUJJTUOS-UHFFFAOYSA-N 0 1 423.966 3.968 50 0 HHAAMN COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000239358363 568729000 /nfs/dbraw/zinc/72/90/00/568729000.db2.gz NCPYNQDHIIBZIX-OOICKAIWSA-N 0 1 404.595 3.656 50 0 HHAAMN Cc1cc(-c2cc(S(=O)(=O)N(CCN(C)C)Cc3cccs3)c(C)s2)n[nH]1 ZINC000096341463 568736939 /nfs/dbraw/zinc/73/69/39/568736939.db2.gz NIXGWVWZSAEJIY-UHFFFAOYSA-N 0 1 424.617 3.569 50 0 HHAAMN O=C(/C=C\c1ccc(Br)cc1)NCC1(N2CCOCC2)CCCCC1 ZINC000096401193 568750162 /nfs/dbraw/zinc/75/01/62/568750162.db2.gz KDJWZZWNKXNZOJ-TWGQIWQCSA-N 0 1 407.352 3.614 50 0 HHAAMN CC[NH+]1CCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577408 568770100 /nfs/dbraw/zinc/77/01/00/568770100.db2.gz JDIJNMKYHWFZTI-HNNXBMFYSA-N 0 1 415.544 3.545 50 0 HHAAMN CN1CCN([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 ZINC000022579555 568770332 /nfs/dbraw/zinc/77/03/32/568770332.db2.gz HJGUTMYNYNFTAA-LJQANCHMSA-N 0 1 409.427 3.563 50 0 HHAAMN Fc1ccc(Cn2nc(CNCCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492413 568820482 /nfs/dbraw/zinc/82/04/82/568820482.db2.gz AFKJJGGMPYFEGW-UHFFFAOYSA-N 0 1 403.461 3.696 50 0 HHAAMN O=C(CNC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000025562165 568821432 /nfs/dbraw/zinc/82/14/32/568821432.db2.gz YJEAICUGKPXERI-KRWDZBQOSA-N 0 1 411.424 3.934 50 0 HHAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000029795554 568832304 /nfs/dbraw/zinc/83/23/04/568832304.db2.gz XGZSHXCSUCYBGE-UHFFFAOYSA-N 0 1 423.416 3.664 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCCCC2)c1 ZINC000012526194 568843059 /nfs/dbraw/zinc/84/30/59/568843059.db2.gz UBHIXJSIBCTCPE-UHFFFAOYSA-N 0 1 402.516 3.902 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1C ZINC000003214843 568846906 /nfs/dbraw/zinc/84/69/06/568846906.db2.gz QGUQVIPHZVZWGD-UHFFFAOYSA-N 0 1 424.522 3.777 50 0 HHAAMN COc1ccc(-c2n[nH]c(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)c(OC)c1 ZINC000058162825 568895097 /nfs/dbraw/zinc/89/50/97/568895097.db2.gz VMGFQMHQRAUPLC-UHFFFAOYSA-N 0 1 406.364 3.689 50 0 HHAAMN Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)n1 ZINC000012742353 568929317 /nfs/dbraw/zinc/92/93/17/568929317.db2.gz IKXIVMHTYBEAKQ-UHFFFAOYSA-N 0 1 405.476 3.952 50 0 HHAAMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000084185753 568943761 /nfs/dbraw/zinc/94/37/61/568943761.db2.gz FYHUOTSREFSCAZ-INIZCTEOSA-N 0 1 400.544 3.567 50 0 HHAAMN C[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000084651760 568954755 /nfs/dbraw/zinc/95/47/55/568954755.db2.gz COHZLYYSIHLKGW-CQSZACIVSA-N 0 1 420.962 3.912 50 0 HHAAMN C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000084651759 568954838 /nfs/dbraw/zinc/95/48/38/568954838.db2.gz COHZLYYSIHLKGW-AWEZNQCLSA-N 0 1 420.962 3.912 50 0 HHAAMN COc1ccc2nc(SCC(=O)Nc3nc4ccc(OC)cc4s3)[nH]c2c1 ZINC000004274671 568958001 /nfs/dbraw/zinc/95/80/01/568958001.db2.gz DHKJKBGRIIWFMX-UHFFFAOYSA-N 0 1 400.485 3.921 50 0 HHAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008132888 568975969 /nfs/dbraw/zinc/97/59/69/568975969.db2.gz ICVCRWSKEOSDMK-NRFANRHFSA-N 0 1 424.545 3.867 50 0 HHAAMN CC(=O)Nc1cccc(S(=O)(=O)N[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c1 ZINC000670469268 568979104 /nfs/dbraw/zinc/97/91/04/568979104.db2.gz JFXLNQZZCYAPHJ-IBGZPJMESA-N 0 1 400.504 3.505 50 0 HHAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)ccc1O ZINC000008252072 568985333 /nfs/dbraw/zinc/98/53/33/568985333.db2.gz ABCBTCBKHDDFAY-UHFFFAOYSA-N 0 1 414.512 3.981 50 0 HHAAMN Cc1cc2ncn(CC3CCN(CC(=O)NCc4ccc(F)cc4)CC3)c2cc1C ZINC000038488544 568997811 /nfs/dbraw/zinc/99/78/11/568997811.db2.gz CEZUQYIXEGSGMW-UHFFFAOYSA-N 0 1 408.521 3.821 50 0 HHAAMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000063665816 569000959 /nfs/dbraw/zinc/00/09/59/569000959.db2.gz JMFKQVUIFHXPEK-UHFFFAOYSA-N 0 1 412.533 3.928 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)c(C)c1C ZINC000104320051 569008234 /nfs/dbraw/zinc/00/82/34/569008234.db2.gz DKURQUGGXSRWNA-HSZRJFAPSA-N 0 1 407.558 3.862 50 0 HHAAMN CCOc1ccc(C[N@H+]2CCN(Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc1 ZINC000104557918 569009034 /nfs/dbraw/zinc/00/90/34/569009034.db2.gz IDHJARVLFPJUGW-JOCHJYFZSA-N 0 1 407.558 3.646 50 0 HHAAMN CN(C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc(F)c1 ZINC000012907575 569021236 /nfs/dbraw/zinc/02/12/36/569021236.db2.gz BBBTXTVMLNCRKZ-NRFANRHFSA-N 0 1 410.468 3.672 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000016027003 569026611 /nfs/dbraw/zinc/02/66/11/569026611.db2.gz XELZJZRNKWSHBN-KHJUTWJGSA-N 0 1 411.889 3.619 50 0 HHAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccccc2)cc1 ZINC000035372529 569033856 /nfs/dbraw/zinc/03/38/56/569033856.db2.gz AZPCUIFPIUTDRE-UHFFFAOYSA-N 0 1 406.555 3.990 50 0 HHAAMN COc1cc(NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)c(OC)cc1Cl ZINC000089420791 569060144 /nfs/dbraw/zinc/06/01/44/569060144.db2.gz YFSZENZHCWRGEG-LJQANCHMSA-N 0 1 418.921 3.569 50 0 HHAAMN C/C=C/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000006178367 569061017 /nfs/dbraw/zinc/06/10/17/569061017.db2.gz OQLOCIITCVBXLY-YTXTXJHMSA-N 0 1 402.472 3.575 50 0 HHAAMN COc1cccc(CN2CCC[C@]3(CCN(c4noc(C(C)C)n4)C3)C2)c1OC ZINC000426739086 569074097 /nfs/dbraw/zinc/07/40/97/569074097.db2.gz PYNKTPFTVYKWPS-QFIPXVFZSA-N 0 1 400.523 3.703 50 0 HHAAMN CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145897 569098388 /nfs/dbraw/zinc/09/83/88/569098388.db2.gz FCTWSSQCXSTXJF-SFTDATJTSA-N 0 1 402.922 3.733 50 0 HHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000006752837 569111554 /nfs/dbraw/zinc/11/15/54/569111554.db2.gz QTWCEAFQJKYBQO-JOCHJYFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1 ZINC000006753038 569111784 /nfs/dbraw/zinc/11/17/84/569111784.db2.gz OIPVHLHJPRPHNK-QHCPKHFHSA-N 0 1 421.497 3.889 50 0 HHAAMN O[C@@H](COCc1ccco1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679312 569126832 /nfs/dbraw/zinc/12/68/32/569126832.db2.gz SDYDBWPPZLNUJY-VWNXMTODSA-N 0 1 420.509 3.853 50 0 HHAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](C)O ZINC000036306713 569129399 /nfs/dbraw/zinc/12/93/99/569129399.db2.gz ANHJMLQGYMZRFP-KRWDZBQOSA-N 0 1 413.493 3.848 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036343704 569142324 /nfs/dbraw/zinc/14/23/24/569142324.db2.gz NOYLKXCIBZLHJI-JOCHJYFZSA-N 0 1 410.949 3.655 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344589 569142615 /nfs/dbraw/zinc/14/26/15/569142615.db2.gz DIXWPYZEDQDLJO-XMMPIXPASA-N 0 1 404.558 3.619 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000065186552 569192168 /nfs/dbraw/zinc/19/21/68/569192168.db2.gz GTOZTUBLVSRGIS-UHFFFAOYSA-N 0 1 400.504 3.987 50 0 HHAAMN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1C ZINC000065194599 569192776 /nfs/dbraw/zinc/19/27/76/569192776.db2.gz TTXYLTNFVKOXMN-UHFFFAOYSA-N 0 1 416.503 3.862 50 0 HHAAMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000007191853 569228113 /nfs/dbraw/zinc/22/81/13/569228113.db2.gz RDSJYKRISOPYFL-ROUUACIJSA-N 0 1 418.607 3.709 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 ZINC000065475504 569231335 /nfs/dbraw/zinc/23/13/35/569231335.db2.gz IOSWKSHDYXMLHT-UHFFFAOYSA-N 0 1 406.534 3.715 50 0 HHAAMN O=C(NC[C@H]1CCN(c2ccccc2)C1)NC1CCN(Cc2ccccc2F)CC1 ZINC000065547838 569234830 /nfs/dbraw/zinc/23/48/30/569234830.db2.gz HGVXMVHDZGCVMA-LJQANCHMSA-N 0 1 410.537 3.616 50 0 HHAAMN Cc1ccc(CC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cn1 ZINC000071819860 569254518 /nfs/dbraw/zinc/25/45/18/569254518.db2.gz UEMAKOWNBSRYHW-UHFFFAOYSA-N 0 1 414.553 3.571 50 0 HHAAMN Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000014515264 569260308 /nfs/dbraw/zinc/26/03/08/569260308.db2.gz STZGTILMZWGVMO-LJQANCHMSA-N 0 1 409.559 3.840 50 0 HHAAMN Cc1[nH+]c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2n1CCCC2 ZINC000089708961 569262846 /nfs/dbraw/zinc/26/28/46/569262846.db2.gz NJHBYTRTGJUJFH-UHFFFAOYSA-N 0 1 407.845 3.679 50 0 HHAAMN CCC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000016837488 569263768 /nfs/dbraw/zinc/26/37/68/569263768.db2.gz CMRHARJIPXXVNW-UHFFFAOYSA-N 0 1 408.907 3.839 50 0 HHAAMN CCCCOc1ccc(-c2nnc(CN3CCC[C@H]3[C@@H]3CCCN3C(C)=O)o2)cc1 ZINC000089954826 569269841 /nfs/dbraw/zinc/26/98/41/569269841.db2.gz QLZSJWNOJVEJFI-SFTDATJTSA-N 0 1 412.534 3.891 50 0 HHAAMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000252022271 569272918 /nfs/dbraw/zinc/27/29/18/569272918.db2.gz ZIXHHZJJVCNDCX-MBSDFSHPSA-N 0 1 403.530 3.796 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000017135677 569275343 /nfs/dbraw/zinc/27/53/43/569275343.db2.gz DEGSEJAGLLKXCD-UHFFFAOYSA-N 0 1 411.483 3.760 50 0 HHAAMN COc1ccc(N=c2scc(CN3CCC(O)CC3)n2Cc2ccccc2)cc1 ZINC000252452989 569286292 /nfs/dbraw/zinc/28/62/92/569286292.db2.gz UKXNWNYPAUNMPO-UHFFFAOYSA-N 0 1 409.555 3.796 50 0 HHAAMN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 ZINC000026771573 569357677 /nfs/dbraw/zinc/35/76/77/569357677.db2.gz IYKRYPCAWRTXRE-ZKMPZPQNSA-N 0 1 408.542 3.680 50 0 biogenic HHAAMN C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000253419147 569367719 /nfs/dbraw/zinc/36/77/19/569367719.db2.gz JZFSZIXWHHXPHF-FZKQIMNGSA-N 0 1 403.408 3.920 50 0 HHAAMN COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc1O ZINC000253470698 569380996 /nfs/dbraw/zinc/38/09/96/569380996.db2.gz ACUPLWLOPLHQRK-INIZCTEOSA-N 0 1 413.401 3.668 50 0 HHAAMN COc1ccc([C@H](CC(=O)Nc2cccc(OC)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470791 569381070 /nfs/dbraw/zinc/38/10/70/569381070.db2.gz DSFDLACOASROGJ-IBGZPJMESA-N 0 1 409.438 3.832 50 0 HHAAMN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000079045986 569425205 /nfs/dbraw/zinc/42/52/05/569425205.db2.gz NEWNHSJHWJKNJI-SFHVURJKSA-N 0 1 422.504 3.762 50 0 HHAAMN Cc1ccc(C)c(N2CCN(C(=O)c3[nH]nnc3Nc3ccc(C)c(C)c3)CC2)c1 ZINC000067284543 571063599 /nfs/dbraw/zinc/06/35/99/571063599.db2.gz IXKYVLUAUXWJQP-UHFFFAOYSA-N 0 1 404.518 3.744 50 0 HHAAMN O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1O)NCc1ccc(Cl)cc1 ZINC000008704862 571103280 /nfs/dbraw/zinc/10/32/80/571103280.db2.gz YYMOUCWJIUPTOR-INIZCTEOSA-N 0 1 412.902 3.506 50 0 HHAAMN O=C(CC1SC(Cc2nc3ccccc3[nH]2)=NC1=O)NCc1ccc(Cl)cc1 ZINC000008704862 571103282 /nfs/dbraw/zinc/10/32/82/571103282.db2.gz YYMOUCWJIUPTOR-INIZCTEOSA-N 0 1 412.902 3.506 50 0 HHAAMN O=C(CCCc1nc(-c2cccs2)no1)N1CCCN(Cc2cccs2)CC1 ZINC000040094090 571161831 /nfs/dbraw/zinc/16/18/31/571161831.db2.gz OPKIOPPMAHDRAB-UHFFFAOYSA-N 0 1 416.572 3.917 50 0 HHAAMN COc1cccc([C@@H](CNC(=O)Nc2cccc(-n3nc(C)cc3C)c2)N(C)C)c1 ZINC000040138994 571188924 /nfs/dbraw/zinc/18/89/24/571188924.db2.gz PPRYRVQOUQRKAI-JOCHJYFZSA-N 0 1 407.518 3.922 50 0 HHAAMN CCN1c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009166141 571232750 /nfs/dbraw/zinc/23/27/50/571232750.db2.gz QKGQMRBGQVDQHR-UHFFFAOYSA-N 0 1 408.907 3.912 50 0 HHAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000009753834 571284308 /nfs/dbraw/zinc/28/43/08/571284308.db2.gz YVMZNUYXDUTHTD-UHFFFAOYSA-N 0 1 421.607 3.700 50 0 HHAAMN COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C ZINC000009942327 571291158 /nfs/dbraw/zinc/29/11/58/571291158.db2.gz RACMXYYHHDISOS-UHFFFAOYSA-N 0 1 422.529 3.975 50 0 HHAAMN O=C1NC(=O)[C@@](CCc2ccncc2)(Cc2cccs2)C(=O)N1c1ccccc1F ZINC000001131067 960458891 /nfs/dbraw/zinc/45/88/91/960458891.db2.gz UAVMQYLJECCFPH-JOCHJYFZSA-N 0 1 423.469 3.931 50 0 HHAAMN COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(OC)ccc4F)N4CCC[C@@]34C2=O)cc1 ZINC000011816273 962197706 /nfs/dbraw/zinc/19/77/06/962197706.db2.gz GYOCSJYRTQUMFH-OWSXEPHWSA-N 0 1 410.489 3.781 50 0 HHAAMN C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000012149194 962246314 /nfs/dbraw/zinc/24/63/14/962246314.db2.gz MMUKZBSDIMKJEH-QGZVFWFLSA-N 0 1 422.481 3.838 50 0 HHAAMN CCN(Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000012297955 962266619 /nfs/dbraw/zinc/26/66/19/962266619.db2.gz IDIFAQZMVDDSCP-SFHVURJKSA-N 0 1 407.967 3.719 50 0 HHAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@H](C(=O)c3ccccn3)C2)c(OC)c1 ZINC000012430573 962279083 /nfs/dbraw/zinc/27/90/83/962279083.db2.gz JOHJFVUCKAYXSO-INIZCTEOSA-N 0 1 406.486 3.584 50 0 HHAAMN COc1ccc2nc(SCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)[nH]c2c1 ZINC000012629224 962304915 /nfs/dbraw/zinc/30/49/15/962304915.db2.gz ADMDWTSQROVBGH-VMPITWQZSA-N 0 1 422.554 3.521 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)o1 ZINC000012842177 962337354 /nfs/dbraw/zinc/33/73/54/962337354.db2.gz TVFSEYQGPMTNFR-LXKVQUBZSA-N 0 1 423.498 3.733 50 0 HHAAMN COc1ccccc1-n1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cn1 ZINC000013595194 962395189 /nfs/dbraw/zinc/39/51/89/962395189.db2.gz GXTDMBWAWOCPGD-JTJYXVOQSA-N 0 1 414.509 3.823 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4ncoc4C4CC4)C3)C2)c1 ZINC000014954126 962613033 /nfs/dbraw/zinc/61/30/33/962613033.db2.gz ISFFNYAWFDTWES-HSZRJFAPSA-N 0 1 413.493 3.828 50 0 HHAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000014959155 962614393 /nfs/dbraw/zinc/61/43/93/962614393.db2.gz OUFWGRJMVXSCEV-UHFFFAOYSA-N 0 1 420.912 3.899 50 0 HHAAMN O=C(NCCSc1cn[nH]n1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000015064475 962644578 /nfs/dbraw/zinc/64/45/78/962644578.db2.gz LGNKEUPFVSCRFP-UHFFFAOYSA-N 0 1 407.499 3.643 50 0 HHAAMN COC[C@@H]1CCCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000015079639 962653267 /nfs/dbraw/zinc/65/32/67/962653267.db2.gz VQICNZOXRVIVQO-QFIPXVFZSA-N 0 1 423.557 3.766 50 0 HHAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000055343478 965823607 /nfs/dbraw/zinc/82/36/07/965823607.db2.gz YJGZFCIQIOUXSI-QFIPXVFZSA-N 0 1 407.558 3.577 50 0 HHAAMN C/C=C/C=C\C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1OC ZINC000096652883 969050462 /nfs/dbraw/zinc/05/04/62/969050462.db2.gz YHXJWNSJGHOAAD-QTJNYWJXSA-N 0 1 402.472 3.575 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)n2)o1 ZINC000096941498 969058516 /nfs/dbraw/zinc/05/85/16/969058516.db2.gz PVMLWQZUOWCCGW-ALCCZGGFSA-N 0 1 420.397 3.929 50 0 HHAAMN COc1cc(NC(=O)CSc2nc(C=Cc3ccco3)n[nH]2)c(OC)cc1Cl ZINC000096941455 969058712 /nfs/dbraw/zinc/05/87/12/969058712.db2.gz MZDLVICPRMGPMK-WAYWQWQTSA-N 0 1 420.878 3.970 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)o1 ZINC000096941502 969059295 /nfs/dbraw/zinc/05/92/95/969059295.db2.gz TVFSEYQGPMTNFR-XPSMFNQNSA-N 0 1 423.498 3.733 50 0 HHAAMN CC(=O)N(Cc1nn(C)c2c1CN(CCCc1ccccc1)CC2)c1ccccc1 ZINC000169764966 970473142 /nfs/dbraw/zinc/47/31/42/970473142.db2.gz PBJGIDLORXOODP-UHFFFAOYSA-N 0 1 402.542 3.964 50 0 HHAAMN O=C(NCc1ccccc1F)c1ccc2c(c1)CN(C1CCSCC1)CCO2 ZINC000169776598 970478181 /nfs/dbraw/zinc/47/81/81/970478181.db2.gz UVBXQVZLFAEYCK-UHFFFAOYSA-N 0 1 400.519 3.846 50 0 HHAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(Cc2ccccc2Cl)=NO1 ZINC000299769541 970722194 /nfs/dbraw/zinc/72/21/94/970722194.db2.gz QDZNABAZKAPUQE-FQEVSTJZSA-N 0 1 400.910 3.678 50 0 HHAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2n[nH]c3c2COc2ccccc2-3)CC1 ZINC000009728653 132343078 /nfs/dbraw/zinc/34/30/78/132343078.db2.gz BTXNNAFPMNIGPZ-UHFFFAOYSA-N 0 1 408.889 3.893 50 0 HHAAMN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 ZINC000011697921 132349966 /nfs/dbraw/zinc/34/99/66/132349966.db2.gz VXNOYAZWQMDCLI-UHFFFAOYSA-N 0 1 416.529 3.875 50 0 HHAAMN CC(C)c1ccc(S(=O)(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000032916440 519838758 /nfs/dbraw/zinc/83/87/58/519838758.db2.gz WNXUDRNMDZMSQB-HXUWFJFHSA-N 0 1 415.603 3.689 50 0 HHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F ZINC000040287111 522988909 /nfs/dbraw/zinc/98/89/09/522988909.db2.gz GWFFTJVMTDYHCR-LJQANCHMSA-N 0 1 422.888 3.593 50 0 HHAAMN COc1ccc(CCN(C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032905340 523940232 /nfs/dbraw/zinc/94/02/32/523940232.db2.gz HLVSBLDJJHWHFA-KRWDZBQOSA-N 0 1 413.518 3.532 50 0 HHAAMN C[S@](=O)Cc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000032865829 525388846 /nfs/dbraw/zinc/38/88/46/525388846.db2.gz QVYCPCATGPZXGB-HHHXNRCGSA-N 0 1 404.963 3.613 50 0 HHAAMN O=S(=O)(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1 ZINC000044922272 527251735 /nfs/dbraw/zinc/25/17/35/527251735.db2.gz GINRFSMZBZRVFK-MRXNPFEDSA-N 0 1 422.304 3.978 50 0 HHAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000012529854 535445867 /nfs/dbraw/zinc/44/58/67/535445867.db2.gz AIHFCWOSHUGQRS-UHFFFAOYSA-N 0 1 412.515 3.529 50 0 HHAAMN CC1=NC(=O)N[C@H](c2ccc(Br)cc2)C1C(=O)OCCc1ccccc1 ZINC000000725466 557073029 /nfs/dbraw/zinc/07/30/29/557073029.db2.gz NEOGDKKGLMJWNS-GOSISDBHSA-N 0 1 415.287 3.863 50 0 HHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1 ZINC000000816396 557091045 /nfs/dbraw/zinc/09/10/45/557091045.db2.gz AIPCQWNZIUQADU-UHFFFAOYSA-N 0 1 401.440 3.770 50 0 HHAAMN CCOC(=O)C1C(Cn2cnc3ccccc32)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001423135 557260855 /nfs/dbraw/zinc/26/08/55/557260855.db2.gz RZKLLIROISQQJH-LJQANCHMSA-N 0 1 410.861 3.561 50 0 HHAAMN COC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002050507 557300894 /nfs/dbraw/zinc/30/08/94/557300894.db2.gz RWKYHDHJKASDIC-SFHVURJKSA-N 0 1 423.416 3.878 50 0 HHAAMN O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002739066 557375126 /nfs/dbraw/zinc/37/51/26/557375126.db2.gz XPQRTZDIRPPNBW-FGZHOGPDSA-N 0 1 406.526 3.811 50 0 HHAAMN CCCCc1ccc(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000002836237 557399028 /nfs/dbraw/zinc/39/90/28/557399028.db2.gz DKRGCEPEYONZKV-UHFFFAOYSA-N 0 1 402.608 3.532 50 0 HHAAMN Cc1cc(F)ccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002857746 557408221 /nfs/dbraw/zinc/40/82/21/557408221.db2.gz VDKRSOCBUQHXNY-UHFFFAOYSA-N 0 1 417.491 3.534 50 0 HHAAMN CCc1n[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)c1ccccc1OC ZINC000034794966 557471093 /nfs/dbraw/zinc/47/10/93/557471093.db2.gz VLZQINCBOKXYGW-UHFFFAOYSA-N 0 1 411.458 3.926 50 0 HHAAMN CCOc1ccc2nc(SCC(=O)Nc3cc4c(cc3C(C)=O)OCO4)[nH]c2c1 ZINC000005691590 557668996 /nfs/dbraw/zinc/66/89/96/557668996.db2.gz RZFKQXFXLJCRHF-UHFFFAOYSA-N 0 1 413.455 3.624 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2cnn(COc3ccc(Br)cc3)c2)cc1 ZINC000002804339 557763300 /nfs/dbraw/zinc/76/33/00/557763300.db2.gz BOTYEOVNUJFEQJ-UHFFFAOYSA-N 0 1 422.304 3.791 50 0 HHAAMN COc1ccccc1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000002970332 557775164 /nfs/dbraw/zinc/77/51/64/557775164.db2.gz XLDLJIOHPDYOKG-UHFFFAOYSA-N 0 1 411.527 3.944 50 0 HHAAMN O[C@@H](COc1ccccc1-c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022918037 558260760 /nfs/dbraw/zinc/26/07/60/558260760.db2.gz XRFMRRPTNKCBRI-XMMPIXPASA-N 0 1 402.538 3.911 50 0 HHAAMN CN1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccc(Cl)cc2)CC1 ZINC000019796768 558284476 /nfs/dbraw/zinc/28/44/76/558284476.db2.gz FPWOMLDRMCZCHE-NRFANRHFSA-N 0 1 424.932 3.714 50 0 HHAAMN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CNC[C@@H]1CCCO1 ZINC000011910435 558296700 /nfs/dbraw/zinc/29/67/00/558296700.db2.gz BSUKXFZRZCQEKA-HNNXBMFYSA-N 0 1 414.893 3.519 50 0 HHAAMN COc1ccc2nc(CCN(C)c3nncc(-c4cc5ccccc5o4)n3)[nH]c2c1 ZINC000011935785 558299927 /nfs/dbraw/zinc/29/99/27/558299927.db2.gz LZFQFPVNJIIMHT-UHFFFAOYSA-N 0 1 400.442 3.849 50 0 HHAAMN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC ZINC000011953857 558303327 /nfs/dbraw/zinc/30/33/27/558303327.db2.gz NOOBJGHOARGYBZ-QFIPXVFZSA-N 0 1 400.544 3.894 50 0 HHAAMN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@@H]2COCCO2)c(F)c1 ZINC000012092487 558324521 /nfs/dbraw/zinc/32/45/21/558324521.db2.gz GXGCRHVTYQJWIX-HXUWFJFHSA-N 0 1 411.477 3.534 50 0 HHAAMN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000020377110 558358742 /nfs/dbraw/zinc/35/87/42/558358742.db2.gz WLEKKAOOXDJPCT-CYBMUJFWSA-N 0 1 409.317 3.546 50 0 HHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 ZINC000012298876 558369077 /nfs/dbraw/zinc/36/90/77/558369077.db2.gz JASKYEOPUKLTNW-KRWDZBQOSA-N 0 1 415.534 3.748 50 0 HHAAMN Cc1ccc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)o1 ZINC000012308144 558376471 /nfs/dbraw/zinc/37/64/71/558376471.db2.gz WJGZSDBSJUAHJW-UHFFFAOYSA-N 0 1 405.498 3.956 50 0 HHAAMN COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H]3CCc3ccccn3)n2)cc1 ZINC000012308613 558377014 /nfs/dbraw/zinc/37/70/14/558377014.db2.gz SEXCPDLIPHGOMM-HXUWFJFHSA-N 0 1 406.486 3.906 50 0 HHAAMN COc1ccc(CN2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000012333271 558385790 /nfs/dbraw/zinc/38/57/90/558385790.db2.gz UWPNJDCQJVMWBY-UHFFFAOYSA-N 0 1 422.447 3.957 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cc(Cl)cc(Cl)c1 ZINC000020731455 558406648 /nfs/dbraw/zinc/40/66/48/558406648.db2.gz ZVFIGLQJGMAWJK-AWEZNQCLSA-N 0 1 402.241 3.774 50 0 HHAAMN CCc1nc(C)c(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)[nH]1 ZINC000012437814 558409490 /nfs/dbraw/zinc/40/94/90/558409490.db2.gz LCGDIZDFSJOWLF-UHFFFAOYSA-N 0 1 424.574 3.958 50 0 HHAAMN CCn1nc(C)c(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C ZINC000012439745 558411330 /nfs/dbraw/zinc/41/13/30/558411330.db2.gz OPTWGBIGBCEJHP-UHFFFAOYSA-N 0 1 410.562 3.799 50 0 HHAAMN O=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012441997 558412574 /nfs/dbraw/zinc/41/25/74/558412574.db2.gz LBGHTQIBYWEIMB-FQEVSTJZSA-N 0 1 404.449 3.514 50 0 HHAAMN CCOC(=O)C[C@@H]1CCCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012457466 558417802 /nfs/dbraw/zinc/41/78/02/558417802.db2.gz DHFDKUAEXIXZER-SFHVURJKSA-N 0 1 400.475 3.744 50 0 HHAAMN COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@@H](C)CC(F)(F)F)CC2)c1 ZINC000012474088 558422259 /nfs/dbraw/zinc/42/22/59/558422259.db2.gz OQGKHHODGGHRPA-ZDUSSCGKSA-N 0 1 400.441 3.772 50 0 HHAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(COC)o2)CC1 ZINC000012592383 558436119 /nfs/dbraw/zinc/43/61/19/558436119.db2.gz MCVCFTPZHJHVNR-UHFFFAOYSA-N 0 1 401.503 3.823 50 0 HHAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1csc(Nc2ccccc2)n1 ZINC000012630439 558441618 /nfs/dbraw/zinc/44/16/18/558441618.db2.gz VBFHDGSMNYUDSJ-UHFFFAOYSA-N 0 1 403.485 3.615 50 0 HHAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OC)cc1 ZINC000021782791 558448276 /nfs/dbraw/zinc/44/82/76/558448276.db2.gz BQSRUGLHTOCMQS-QFIPXVFZSA-N 0 1 407.470 3.681 50 0 HHAAMN Cc1cccn2c(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc12 ZINC000022779890 558509801 /nfs/dbraw/zinc/50/98/01/558509801.db2.gz DVXNDWJYZLEXOG-UHFFFAOYSA-N 0 1 424.548 3.910 50 0 HHAAMN CN(C)c1nc(Cl)c(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)s1 ZINC000022914346 558521110 /nfs/dbraw/zinc/52/11/10/558521110.db2.gz JCNKMFIMNSOLFX-GOSISDBHSA-N 0 1 420.026 3.649 50 0 HHAAMN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000023394266 558556510 /nfs/dbraw/zinc/55/65/10/558556510.db2.gz RTTNOZYCFJCSOQ-UHFFFAOYSA-N 0 1 416.421 3.868 50 0 HHAAMN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccc(C(N)=O)cc1)CC2 ZINC000023908471 558581131 /nfs/dbraw/zinc/58/11/31/558581131.db2.gz CLRXPTNMBCAPNK-XMMPIXPASA-N 0 1 402.494 3.950 50 0 HHAAMN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000059850062 558596751 /nfs/dbraw/zinc/59/67/51/558596751.db2.gz FKWWPLGILIOHBZ-UHFFFAOYSA-N 0 1 409.396 3.680 50 0 HHAAMN CCCOc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000013894044 558600120 /nfs/dbraw/zinc/60/01/20/558600120.db2.gz YXGBORLPUGNSBG-OAQYLSRUSA-N 0 1 424.453 3.575 50 0 HHAAMN C[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000014142363 558625458 /nfs/dbraw/zinc/62/54/58/558625458.db2.gz NAJSUZJGAMTHKX-MRXNPFEDSA-N 0 1 421.588 3.602 50 0 HHAAMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)CC3 ZINC000025545071 558643344 /nfs/dbraw/zinc/64/33/44/558643344.db2.gz UEFVBBJLGQDOMI-UHFFFAOYSA-N 0 1 418.522 3.824 50 0 HHAAMN CN(C)[C@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccsc1 ZINC000025814487 558650758 /nfs/dbraw/zinc/65/07/58/558650758.db2.gz MYUDBWJQWJSPSG-MRXNPFEDSA-N 0 1 407.333 3.706 50 0 HHAAMN C[C@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1 ZINC000026173128 558656769 /nfs/dbraw/zinc/65/67/69/558656769.db2.gz WYTWCMWAKPFZQN-MSOLQXFVSA-N 0 1 420.557 3.842 50 0 HHAAMN Cc1cc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)nc(C(C)C)n1 ZINC000027545733 558674506 /nfs/dbraw/zinc/67/45/06/558674506.db2.gz RRJUFOSCZGTXBM-UHFFFAOYSA-N 0 1 412.563 3.775 50 0 HHAAMN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014955636 558682270 /nfs/dbraw/zinc/68/22/70/558682270.db2.gz MOJABNPCIKVSHX-GOSISDBHSA-N 0 1 423.483 3.579 50 0 HHAAMN COc1cc([C@@H]2ON=C(CNCc3ccc(Cl)cc3)[C@H]2C)c(OC)c2c1OCO2 ZINC000015085724 558720378 /nfs/dbraw/zinc/72/03/78/558720378.db2.gz RFNMMGDMDRSNEJ-KZULUSFZSA-N 0 1 418.877 3.939 50 0 HHAAMN FC(F)Oc1ccc(Br)cc1CNCc1ccc(Cn2cncn2)cc1 ZINC000030634112 558734600 /nfs/dbraw/zinc/73/46/00/558734600.db2.gz IYXPZXMBCUCHED-UHFFFAOYSA-N 0 1 423.261 3.980 50 0 HHAAMN COc1cc(CN2CCC(C(=O)NC3CCCCCC3)CC2)cc(OC)c1OC ZINC000015855950 558756847 /nfs/dbraw/zinc/75/68/47/558756847.db2.gz DDWNYVHBPWPXGL-UHFFFAOYSA-N 0 1 404.551 3.763 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)NCCC[C@@](C)(CC)C2OCCO2)CC1 ZINC000072306199 558765100 /nfs/dbraw/zinc/76/51/00/558765100.db2.gz IVCJQFVHWWIXBC-HSZRJFAPSA-N 0 1 418.582 3.519 50 0 HHAAMN O=c1c2c(O)cc(CSc3nc4ccccc4s3)[nH]c-2nn1-c1ccccc1 ZINC000018222209 558833983 /nfs/dbraw/zinc/83/39/83/558833983.db2.gz UFFCSXOLRAKGEI-UHFFFAOYSA-N 0 1 406.492 3.909 50 0 HHAAMN CCN1CCN(c2ncnc3sc(C(=O)NC4CCCCCC4)c(C)c32)CC1 ZINC000033048340 558885403 /nfs/dbraw/zinc/88/54/03/558885403.db2.gz WTNUWAGRMJVERE-UHFFFAOYSA-N 0 1 401.580 3.594 50 0 HHAAMN CCN1CCN(c2ncnc3sc(C(=O)N[C@@H](C)c4ccccc4)c(C)c32)CC1 ZINC000033048364 558885553 /nfs/dbraw/zinc/88/55/53/558885553.db2.gz AEBZYQLFVCBGQD-INIZCTEOSA-N 0 1 409.559 3.633 50 0 HHAAMN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000058115582 558900012 /nfs/dbraw/zinc/90/00/12/558900012.db2.gz HEWRZSWSWVSRTN-UHFFFAOYSA-N 0 1 405.806 3.837 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SC[C@@H]2CNC(c3ccccc3)=NO2)n1 ZINC000058297659 558917348 /nfs/dbraw/zinc/91/73/48/558917348.db2.gz ZXVOOMYCTDGMHQ-AWEZNQCLSA-N 0 1 415.906 3.576 50 0 HHAAMN COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000058406813 558924753 /nfs/dbraw/zinc/92/47/53/558924753.db2.gz OQHABXCMSOTJIF-HNNXBMFYSA-N 0 1 403.473 3.998 50 0 HHAAMN OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1Cc1ccccc1 ZINC000019595414 558946094 /nfs/dbraw/zinc/94/60/94/558946094.db2.gz ZHIVGRALHDLEIU-NRFANRHFSA-N 0 1 410.949 3.595 50 0 HHAAMN CCOC(=O)c1c(NC(=O)CNCc2ccccc2)sc2c1CC(C)(C)OC2 ZINC000061937913 558947440 /nfs/dbraw/zinc/94/74/40/558947440.db2.gz XQRFJMYNDZKOOU-UHFFFAOYSA-N 0 1 402.516 3.504 50 0 HHAAMN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCNC(=O)CC2)cc1OC ZINC000072479175 558983822 /nfs/dbraw/zinc/98/38/22/558983822.db2.gz UVIRDTRBTISQAJ-UHFFFAOYSA-N 0 1 405.498 3.549 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)nc(N2CCCC2)n1 ZINC000067604875 558988686 /nfs/dbraw/zinc/98/86/86/558988686.db2.gz NUKVIMBPIGIHEU-UHFFFAOYSA-N 0 1 401.514 3.501 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000082230420 559042740 /nfs/dbraw/zinc/04/27/40/559042740.db2.gz VGZPDIGLWYPTLU-UHFFFAOYSA-N 0 1 408.333 3.924 50 0 HHAAMN CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000023224699 559062660 /nfs/dbraw/zinc/06/26/60/559062660.db2.gz IPRUSLAWLIOMOF-QHCPKHFHSA-N 0 1 412.574 3.563 50 0 HHAAMN OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1cccs1 ZINC000095508633 559083513 /nfs/dbraw/zinc/08/35/13/559083513.db2.gz MADWWQPWNAMDTR-IBGZPJMESA-N 0 1 404.963 3.746 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C)[nH]1)C[C@H](C)CC2 ZINC000011658416 559124163 /nfs/dbraw/zinc/12/41/63/559124163.db2.gz LKELMTASKYKBDI-ZJUUUORDSA-N 0 1 408.549 3.595 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc(C)n[nH]1)C[C@H](C)CC2 ZINC000011658416 559124165 /nfs/dbraw/zinc/12/41/65/559124165.db2.gz LKELMTASKYKBDI-ZJUUUORDSA-N 0 1 408.549 3.595 50 0 HHAAMN Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccccn1 ZINC000101232127 559144185 /nfs/dbraw/zinc/14/41/85/559144185.db2.gz MJQGWYFYAQTZTH-HKBOAZHASA-N 0 1 403.413 3.580 50 0 HHAAMN CCOc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000023466480 559175790 /nfs/dbraw/zinc/17/57/90/559175790.db2.gz SKKKFWFOKFFSKZ-ZJSXRUAMSA-N 0 1 410.558 3.662 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NC2CCCCC2)c1 ZINC000004865350 559193723 /nfs/dbraw/zinc/19/37/23/559193723.db2.gz ATEOMAOQRCKMGY-UHFFFAOYSA-N 0 1 403.504 3.950 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)N4CCCC4)c3=O)c2c1 ZINC000004950532 559215733 /nfs/dbraw/zinc/21/57/33/559215733.db2.gz INKTUZMCQPHISM-UHFFFAOYSA-N 0 1 414.531 3.732 50 0 HHAAMN O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cnn(-c4ccccc4)c3)N3CCC[C@@]123 ZINC000011815471 559260378 /nfs/dbraw/zinc/26/03/78/559260378.db2.gz LQPPDYYHHJFVCM-GVUKDKGQSA-N 0 1 412.537 3.853 50 0 HHAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 ZINC000011872943 559264768 /nfs/dbraw/zinc/26/47/68/559264768.db2.gz MIFVAVZFROXHHL-UHFFFAOYSA-N 0 1 418.497 3.744 50 0 HHAAMN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000000790963 559279526 /nfs/dbraw/zinc/27/95/26/559279526.db2.gz HZJOTMGHVSUQHR-UHFFFAOYSA-N 0 1 411.483 3.517 50 0 HHAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)cc(C)c3O)c2[C@H]1c1cccc(O)c1 ZINC000005200935 560537765 /nfs/dbraw/zinc/53/77/65/560537765.db2.gz RSNGQFUDEOTVGG-OAQYLSRUSA-N 0 1 407.470 3.686 50 0 HHAAMN COc1cc(NS(=O)(=O)c2ccccc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000005392677 560583034 /nfs/dbraw/zinc/58/30/34/560583034.db2.gz WZYZENRAGSIGGX-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN CCOC(=O)c1c(NC(=O)CN2CCCC[C@@H]2CC)c2cc(OC)ccc2n1C ZINC000005490240 560598091 /nfs/dbraw/zinc/59/80/91/560598091.db2.gz NEMWHDCVHYOYMG-HNNXBMFYSA-N 0 1 401.507 3.567 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690536 560853213 /nfs/dbraw/zinc/85/32/13/560853213.db2.gz OVUAHZHRNCPSOF-GOSISDBHSA-N 0 1 403.486 3.579 50 0 HHAAMN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000048184593 568432438 /nfs/dbraw/zinc/43/24/38/568432438.db2.gz WNQAZXYDEHVLSD-XOBRGWDASA-N 0 1 403.523 3.684 50 0 HHAAMN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000048184595 568432449 /nfs/dbraw/zinc/43/24/49/568432449.db2.gz WNQAZXYDEHVLSD-VBKZILBWSA-N 0 1 403.523 3.684 50 0 HHAAMN CN(C)[C@@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000048364241 568441813 /nfs/dbraw/zinc/44/18/13/568441813.db2.gz SPOMBSSZWBOLDJ-SFHVURJKSA-N 0 1 406.885 3.602 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccccc4)ccc3n2)CC1 ZINC000033084666 568511003 /nfs/dbraw/zinc/51/10/03/568511003.db2.gz HGTPXDVCZFKTNN-UHFFFAOYSA-N 0 1 404.514 3.703 50 0 HHAAMN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214617 568594685 /nfs/dbraw/zinc/59/46/85/568594685.db2.gz CTEHOTDYYWVWMF-NRFANRHFSA-N 0 1 415.534 3.521 50 0 HHAAMN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214617 568594687 /nfs/dbraw/zinc/59/46/87/568594687.db2.gz CTEHOTDYYWVWMF-NRFANRHFSA-N 0 1 415.534 3.521 50 0 HHAAMN CN(C)CCCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccccc1 ZINC000039845669 568605074 /nfs/dbraw/zinc/60/50/74/568605074.db2.gz HXJUERNSDZLTTI-UHFFFAOYSA-N 0 1 403.479 3.677 50 0 HHAAMN c1cc(-c2nc3ccccc3c(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)n2)cs1 ZINC000040051253 568613074 /nfs/dbraw/zinc/61/30/74/568613074.db2.gz GGGAUBKPRTWGFG-JXFKEZNVSA-N 0 1 410.543 3.508 50 0 HHAAMN CCOc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000020532747 568628243 /nfs/dbraw/zinc/62/82/43/568628243.db2.gz GXUKDWLXQNUQCY-UHFFFAOYSA-N 0 1 415.446 3.673 50 0 HHAAMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)cc1 ZINC000095477956 568631525 /nfs/dbraw/zinc/63/15/25/568631525.db2.gz FPEKFQOSLOYDOC-UHFFFAOYSA-N 0 1 403.442 3.628 50 0 HHAAMN COc1cccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)n2)c1 ZINC000095481634 568633610 /nfs/dbraw/zinc/63/36/10/568633610.db2.gz AUZNTGDPBBVICE-UHFFFAOYSA-N 0 1 414.270 3.531 50 0 HHAAMN COc1ccc(Br)c(CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000225533138 568648103 /nfs/dbraw/zinc/64/81/03/568648103.db2.gz MQXYTFPYKYEJET-UHFFFAOYSA-N 0 1 401.308 3.880 50 0 HHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n1C ZINC000020989975 568655556 /nfs/dbraw/zinc/65/55/56/568655556.db2.gz BIAYRJOVGWOSMM-UHFFFAOYSA-N 0 1 421.538 3.906 50 0 HHAAMN CCc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000021030253 568659182 /nfs/dbraw/zinc/65/91/82/568659182.db2.gz GQELGNIZBZMROZ-UHFFFAOYSA-N 0 1 417.575 3.877 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc2c(c1)OCCO2 ZINC000021097291 568664965 /nfs/dbraw/zinc/66/49/65/568664965.db2.gz YXYPBGSLTGUWBK-UHFFFAOYSA-N 0 1 402.863 3.627 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c(C)n1C ZINC000021154174 568673030 /nfs/dbraw/zinc/67/30/30/568673030.db2.gz OFSWCSAGKRJZHB-UHFFFAOYSA-N 0 1 407.511 3.516 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4OC)ccc3n2)CC1 ZINC000021348331 568687580 /nfs/dbraw/zinc/68/75/80/568687580.db2.gz CWWCHJRGTURXRX-UHFFFAOYSA-N 0 1 404.514 3.946 50 0 HHAAMN COc1ccc(CNC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000229428253 568713973 /nfs/dbraw/zinc/71/39/73/568713973.db2.gz JJYFSVXSZXCTHI-UYAOXDASSA-N 0 1 402.560 3.741 50 0 HHAAMN CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324736 568734369 /nfs/dbraw/zinc/73/43/69/568734369.db2.gz AJEMWGFHYXVMCW-GOSISDBHSA-N 0 1 403.486 3.525 50 0 HHAAMN CCOc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 ZINC000000959054 568758294 /nfs/dbraw/zinc/75/82/94/568758294.db2.gz LIDMHJBLOCIXRZ-INIZCTEOSA-N 0 1 421.295 3.680 50 0 HHAAMN Cc1cccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000022573241 568769813 /nfs/dbraw/zinc/76/98/13/568769813.db2.gz NVUWMMDUCVBMRY-HXUWFJFHSA-N 0 1 408.464 3.884 50 0 HHAAMN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1 ZINC000057413264 568833326 /nfs/dbraw/zinc/83/33/26/568833326.db2.gz XSXOYRQFHMTSOP-UHFFFAOYSA-N 0 1 408.889 3.895 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C)ccc1C ZINC000012526220 568843069 /nfs/dbraw/zinc/84/30/69/568843069.db2.gz GODKFZPREMCEFC-MRXNPFEDSA-N 0 1 402.516 3.819 50 0 HHAAMN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000012551244 568853111 /nfs/dbraw/zinc/85/31/11/568853111.db2.gz YAPLESTUCJFKDN-PZJWPPBQSA-N 0 1 415.509 3.517 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2F)c1 ZINC000012551996 568853848 /nfs/dbraw/zinc/85/38/48/568853848.db2.gz LEHBAHBDPFXXGN-UHFFFAOYSA-N 0 1 416.430 3.593 50 0 HHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccccc2Cl)cc1 ZINC000003310303 568877887 /nfs/dbraw/zinc/87/78/87/568877887.db2.gz YLPMJZYVLJBRQY-UHFFFAOYSA-N 0 1 419.919 3.740 50 0 HHAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCc1ccccc1 ZINC000003370635 568890590 /nfs/dbraw/zinc/89/05/90/568890590.db2.gz GOHPKJKKXCKQSF-UHFFFAOYSA-N 0 1 403.305 3.643 50 0 HHAAMN O[C@@H](COc1ccccc1F)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000025753534 568913748 /nfs/dbraw/zinc/91/37/48/568913748.db2.gz PKEMZCLTVPLYPO-GOSISDBHSA-N 0 1 400.519 3.598 50 0 HHAAMN Cc1ccc(N2C(=O)C3=C(C(=O)c4ccccc4)NN(c4ccccc4)C3C2=O)cc1 ZINC000004812141 568937755 /nfs/dbraw/zinc/93/77/55/568937755.db2.gz DMUYGKQUBDIZPA-IFMALSPDSA-N 0 1 409.445 3.612 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)n[nH]2)cc1C ZINC000015680758 568967515 /nfs/dbraw/zinc/96/75/15/568967515.db2.gz ABIHHIDOFFPONJ-UHFFFAOYSA-N 0 1 422.916 3.945 50 0 HHAAMN CCCCc1nn2c(nc(CSc3nc(-c4ccccc4C)n[nH]3)cc2=O)s1 ZINC000015731867 568982007 /nfs/dbraw/zinc/98/20/07/568982007.db2.gz UHCAKAVEMJVYLD-UHFFFAOYSA-N 0 1 412.544 3.879 50 0 HHAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2OC)cc1 ZINC000085392134 568984736 /nfs/dbraw/zinc/98/47/36/568984736.db2.gz KQTOYQPYCXRRAD-UHFFFAOYSA-N 0 1 418.515 3.521 50 0 HHAAMN Cc1cccc(NC(=O)CNC(=O)CN[C@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000012810620 568984937 /nfs/dbraw/zinc/98/49/37/568984937.db2.gz BWEUUEODRDZOJU-OAHLLOKOSA-N 0 1 407.436 3.728 50 0 HHAAMN COc1ccccc1N1CCC(N2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)CC1 ZINC000105625720 569009141 /nfs/dbraw/zinc/00/91/41/569009141.db2.gz UWPBSMRLJVODTO-XMMPIXPASA-N 0 1 423.601 3.541 50 0 HHAAMN C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2)CCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000035269002 569015744 /nfs/dbraw/zinc/01/57/44/569015744.db2.gz SOSJSQXPSSZICL-NQERJWCQSA-N 0 1 409.357 3.767 50 0 HHAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccccc2)cc1 ZINC000035372473 569033907 /nfs/dbraw/zinc/03/39/07/569033907.db2.gz NHVMNUZERZHEQC-UHFFFAOYSA-N 0 1 406.555 3.990 50 0 HHAAMN O=C(NCc1n[nH]c(=S)n1-c1ccc(Br)cc1)c1ccccc1F ZINC000006269401 569036176 /nfs/dbraw/zinc/03/61/76/569036176.db2.gz FFGGYSNGFQJFQV-UHFFFAOYSA-N 0 1 407.268 3.761 50 0 HHAAMN O=C(NCc1n[nH]c(=S)n1-c1ccc(Br)cc1)c1cccc(F)c1 ZINC000006269106 569036190 /nfs/dbraw/zinc/03/61/90/569036190.db2.gz JTXQHPOSQWAMEQ-UHFFFAOYSA-N 0 1 407.268 3.761 50 0 HHAAMN Cc1[nH]ncc1CNC(=O)c1ccc(C)c(NC(=O)c2nsc3ccccc32)c1 ZINC000035447651 569037412 /nfs/dbraw/zinc/03/74/12/569037412.db2.gz OPBVPPLGHZJBTG-UHFFFAOYSA-N 0 1 405.483 3.819 50 0 HHAAMN O=C(Nc1cccc2ccccc21)c1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000006352520 569045160 /nfs/dbraw/zinc/04/51/60/569045160.db2.gz QERFFJJUONZHEP-UHFFFAOYSA-N 0 1 404.451 3.683 50 0 HHAAMN COC(=O)c1ccccc1C(=O)N(CCN(C)C)c1nc2cc(C)cc(C)c2s1 ZINC000035586509 569046121 /nfs/dbraw/zinc/04/61/21/569046121.db2.gz JBMCZIFNSLMNNH-UHFFFAOYSA-N 0 1 411.527 3.908 50 0 HHAAMN CC(C)Oc1ccc(C=CC(=O)Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)cc1 ZINC000006389245 569046357 /nfs/dbraw/zinc/04/63/57/569046357.db2.gz NPPHLZOGPKQLRV-FMIVXFBMSA-N 0 1 408.483 3.934 50 0 HHAAMN CN(C)[C@@H](CNC(=O)c1nc(N2CCCCC2)ncc1Cl)c1ccc(Cl)cc1 ZINC000072309357 569048585 /nfs/dbraw/zinc/04/85/85/569048585.db2.gz ANGBDOWRRIVCJG-KRWDZBQOSA-N 0 1 422.360 3.806 50 0 HHAAMN NC(=O)c1cccnc1N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000013006439 569049965 /nfs/dbraw/zinc/04/99/65/569049965.db2.gz NMJIEFZBVQDSPQ-UHFFFAOYSA-N 0 1 412.946 3.885 50 0 HHAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743265 569107999 /nfs/dbraw/zinc/10/79/99/569107999.db2.gz FFDSSKCYHDETKI-QHCPKHFHSA-N 0 1 421.497 3.725 50 0 HHAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006752758 569111343 /nfs/dbraw/zinc/11/13/43/569111343.db2.gz KGVGCFSTUPDYMY-HXOBKFHXSA-N 0 1 419.481 3.905 50 0 HHAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036306716 569129343 /nfs/dbraw/zinc/12/93/43/569129343.db2.gz ANHJMLQGYMZRFP-QGZVFWFLSA-N 0 1 413.493 3.848 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344617 569142666 /nfs/dbraw/zinc/14/26/66/569142666.db2.gz AJHOMZQKLJJABD-RUZDIDTESA-N 0 1 418.585 3.927 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036345549 569143210 /nfs/dbraw/zinc/14/32/10/569143210.db2.gz AUPOUUMWNCOZCA-DEOSSOPVSA-N 0 1 404.558 3.619 50 0 HHAAMN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCN(C)C)o2)cc1 ZINC000007002947 569198947 /nfs/dbraw/zinc/19/89/47/569198947.db2.gz XULZJBLVDQLJBH-UHFFFAOYSA-N 0 1 415.515 3.547 50 0 HHAAMN CCCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000007052844 569214399 /nfs/dbraw/zinc/21/43/99/569214399.db2.gz VUAYCACSWQJWSK-UHFFFAOYSA-N 0 1 416.421 3.568 50 0 HHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)n2)cc1 ZINC000007294391 569232574 /nfs/dbraw/zinc/23/25/74/569232574.db2.gz KTLHMXXCYJBFGH-CQSZACIVSA-N 0 1 421.526 3.890 50 0 HHAAMN COC(=O)[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1c1ccsc1 ZINC000170601412 569243190 /nfs/dbraw/zinc/24/31/90/569243190.db2.gz GFRSQZAFYQYSSU-NWDGAFQWSA-N 0 1 400.283 3.789 50 0 HHAAMN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc(C(=O)OC)c1 ZINC000014264244 569259370 /nfs/dbraw/zinc/25/93/70/569259370.db2.gz DNLPCUTTZXBZRQ-UHFFFAOYSA-N 0 1 413.817 3.556 50 0 HHAAMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000089832508 569266737 /nfs/dbraw/zinc/26/67/37/569266737.db2.gz UJYRVWICDPVUSW-OAQYLSRUSA-N 0 1 422.525 3.940 50 0 HHAAMN CCCCOc1ccc(-c2nnc(CN3CCC[C@@H]3[C@H]3CCCN3C(C)=O)o2)cc1 ZINC000252477545 569288596 /nfs/dbraw/zinc/28/85/96/569288596.db2.gz QLZSJWNOJVEJFI-NHCUHLMSSA-N 0 1 412.534 3.891 50 0 HHAAMN COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccc(Br)cc1)N(C)CC3)OCO2 ZINC000012660831 569402616 /nfs/dbraw/zinc/40/26/16/569402616.db2.gz BVCMOJHQNDYZII-HZPDHXFCSA-N 0 1 420.303 3.839 50 0 biogenic HHAAMN Cc1ccc([C@H](CC(=O)[O-])Nc2nc(N3CCCCC3)nc(N3CCCCC3)[nH+]2)cc1 ZINC000019804659 569430476 /nfs/dbraw/zinc/43/04/76/569430476.db2.gz WGLAIGWPGUCUNX-IBGZPJMESA-N 0 1 424.549 3.789 50 0 HHAAMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012756641 571044757 /nfs/dbraw/zinc/04/47/57/571044757.db2.gz FLYBUXHZCCFCHJ-UHFFFAOYSA-N 0 1 416.387 3.629 50 0 HHAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000067284217 571063205 /nfs/dbraw/zinc/06/32/05/571063205.db2.gz NHFSKMCHHGELNO-UHFFFAOYSA-N 0 1 410.909 3.727 50 0 HHAAMN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000008549485 571077905 /nfs/dbraw/zinc/07/79/05/571077905.db2.gz SOKWOKBIQRIPEU-NRFANRHFSA-N 0 1 406.482 3.525 50 0 HHAAMN [O-][C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777806 571118169 /nfs/dbraw/zinc/11/81/69/571118169.db2.gz ZKMAAHHVFDJQII-ACJLOTCBSA-N 0 1 418.400 3.689 50 0 HHAAMN CCCN1c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc2CCC1=O ZINC000008840568 571123253 /nfs/dbraw/zinc/12/32/53/571123253.db2.gz XBIBVFTWDXHFKA-UHFFFAOYSA-N 0 1 402.516 3.802 50 0 HHAAMN O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008864270 571128862 /nfs/dbraw/zinc/12/88/62/571128862.db2.gz QKVXCRASHYZCSE-INIZCTEOSA-N 0 1 411.449 3.659 50 0 HHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000040103437 571164224 /nfs/dbraw/zinc/16/42/24/571164224.db2.gz KDMNUBIDHYADEX-IBGZPJMESA-N 0 1 418.925 3.728 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000040103814 571164416 /nfs/dbraw/zinc/16/44/16/571164416.db2.gz VJVKRGDJONENRT-UHFFFAOYSA-N 0 1 416.953 3.943 50 0 HHAAMN Cc1nn(-c2ccccc2)c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccccc3Cl)c12 ZINC000008990907 571206910 /nfs/dbraw/zinc/20/69/10/571206910.db2.gz ZLTYWHCMNJYSNI-UHFFFAOYSA-N 0 1 403.829 3.579 50 0 HHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165774 571232548 /nfs/dbraw/zinc/23/25/48/571232548.db2.gz LIGMPIVKJYZSBR-UHFFFAOYSA-N 0 1 418.515 3.576 50 0 HHAAMN Cc1[nH]c(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)nc1Cc1ccccc1 ZINC000009219602 571238099 /nfs/dbraw/zinc/23/80/99/571238099.db2.gz GUWHVFDKMGLBHI-UHFFFAOYSA-N 0 1 420.538 3.932 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000009223649 571238620 /nfs/dbraw/zinc/23/86/20/571238620.db2.gz KYZPNPFRSNYAQA-UHFFFAOYSA-N 0 1 422.466 3.625 50 0 HHAAMN COc1ccccc1[C@@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CCN(C)C ZINC000009328251 571248274 /nfs/dbraw/zinc/24/82/74/571248274.db2.gz VNJIOLZNRNJTEM-OAQYLSRUSA-N 0 1 406.482 3.525 50 0 HHAAMN O=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)C1(c2cccc(Cl)c2)CC1 ZINC000070010585 571253866 /nfs/dbraw/zinc/25/38/66/571253866.db2.gz KVVKWCLQPFSWEZ-UHFFFAOYSA-N 0 1 410.905 3.719 50 0 HHAAMN COc1cc([C@@H]2c3c(C)[nH]nc3C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000009421648 571257235 /nfs/dbraw/zinc/25/72/35/571257235.db2.gz FCGMQZNTVSTJOE-JOCHJYFZSA-N 0 1 402.454 3.702 50 0 HHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000009448626 571259777 /nfs/dbraw/zinc/25/97/77/571259777.db2.gz YWPABVOUXBAVPW-CYBMUJFWSA-N 0 1 410.499 3.925 50 0 HHAAMN COc1ccc(CN(CC(=O)NCC(F)(F)F)[C@@H](C)Cc2cccs2)cc1 ZINC000009863676 571288806 /nfs/dbraw/zinc/28/88/06/571288806.db2.gz WXGZGGKCKUQDHZ-AWEZNQCLSA-N 0 1 400.466 3.868 50 0 HHAAMN COc1ccc2c(CC(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)coc2c1 ZINC000009884406 571289373 /nfs/dbraw/zinc/28/93/73/571289373.db2.gz PCGXRHHTEAZMFX-NRFANRHFSA-N 0 1 408.498 3.946 50 0 HHAAMN O=C([O-])[C@H]1CCC[N@H+]1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000002545943 571315644 /nfs/dbraw/zinc/31/56/44/571315644.db2.gz BHVHQIAGXJUFQW-HSZRJFAPSA-N 0 1 420.509 3.949 50 0 HHAAMN CC(C)Cc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)[nH]n1 ZINC000011934797 962209528 /nfs/dbraw/zinc/20/95/28/962209528.db2.gz SQQAOBPPPWUNQG-SFHVURJKSA-N 0 1 406.534 3.645 50 0 HHAAMN CC(C)Cc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 ZINC000011934797 962209543 /nfs/dbraw/zinc/20/95/43/962209543.db2.gz SQQAOBPPPWUNQG-SFHVURJKSA-N 0 1 406.534 3.645 50 0 HHAAMN C[C@@H](CNC(=O)/C=C/c1cccc(F)c1)Oc1cccc(CN2CCSCC2)c1 ZINC000012053582 962229774 /nfs/dbraw/zinc/22/97/74/962229774.db2.gz XNOXUVFOBVXYBB-BLGFXRMMSA-N 0 1 414.546 3.971 50 0 HHAAMN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000012304858 962269190 /nfs/dbraw/zinc/26/91/90/962269190.db2.gz MQYKODBZYVZRAK-DEOSSOPVSA-N 0 1 421.497 3.818 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)NCCCOCc3ccccc3)n2)o1 ZINC000012844220 962337787 /nfs/dbraw/zinc/33/77/87/962337787.db2.gz JRRIXBTZLXSJHI-ZHACJKMWSA-N 0 1 412.515 3.692 50 0 HHAAMN O=C1CCN(Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccn1 ZINC000020861621 963398768 /nfs/dbraw/zinc/39/87/68/963398768.db2.gz VZHYXEDVDOJLIF-UHFFFAOYSA-N 0 1 401.510 3.895 50 0 HHAAMN O=C(NC[C@H]1CN(Cc2cccc(Cl)c2F)CC12CCOCC2)N1CCCC1 ZINC000257176134 970617044 /nfs/dbraw/zinc/61/70/44/970617044.db2.gz RWRWXZHVDDUFCW-KRWDZBQOSA-N 0 1 409.933 3.513 50 0 HHAAMN CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000001355872 132244623 /nfs/dbraw/zinc/24/46/23/132244623.db2.gz ROHJXGANFONFQK-JOCHJYFZSA-N 0 1 405.498 3.619 50 0 HHAAMN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1OC ZINC000004624579 132280633 /nfs/dbraw/zinc/28/06/33/132280633.db2.gz KKKYOWNCGJSPQN-UHFFFAOYSA-N 0 1 423.435 3.727 50 0 HHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000004711688 132285344 /nfs/dbraw/zinc/28/53/44/132285344.db2.gz UYMHVLPCDVTYQH-UHFFFAOYSA-N 0 1 407.470 3.614 50 0 HHAAMN Cc1cccc(OCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1 ZINC000006725168 132313906 /nfs/dbraw/zinc/31/39/06/132313906.db2.gz VDQQIYWSLXXCCS-UHFFFAOYSA-N 0 1 404.514 3.621 50 0 HHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2 ZINC000006779546 132315629 /nfs/dbraw/zinc/31/56/29/132315629.db2.gz CQCWHAIQUAFWFN-ZDUSSCGKSA-N 0 1 406.529 3.652 50 0 HHAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ncnc4[nH]cnc43)C2=O)cc1C ZINC000007063806 132322382 /nfs/dbraw/zinc/32/23/82/132322382.db2.gz QBUSEXXRXLUOPN-ZDLGFXPLSA-N 0 1 410.437 3.610 50 0 HHAAMN CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O ZINC000009434009 132339955 /nfs/dbraw/zinc/33/99/55/132339955.db2.gz KCCDTMBHJMQXMR-HSZRJFAPSA-N 0 1 419.868 3.755 50 0 HHAAMN O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697970 132350019 /nfs/dbraw/zinc/35/00/19/132350019.db2.gz UNAYEGCNTCDLPF-UHFFFAOYSA-N 0 1 409.881 3.623 50 0 HHAAMN O=C(CC1CCCC1)Nc1cccc(N2CCC(N3CCc4n[nH]cc4C3)CC2)c1 ZINC000011911931 132352187 /nfs/dbraw/zinc/35/21/87/132352187.db2.gz DQSCWPLVSVZVND-UHFFFAOYSA-N 0 1 407.562 3.956 50 0 HHAAMN Cc1cc(OCCCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)ccc1Cl ZINC000012613232 132365316 /nfs/dbraw/zinc/36/53/16/132365316.db2.gz NVKOEGACTYPOOX-UHFFFAOYSA-N 0 1 402.926 3.593 50 0 HHAAMN CCOc1ccc(Oc2ccc(S(=O)(=O)N(C)C3CCN(CC)CC3)cc2)cc1 ZINC000032804298 521182673 /nfs/dbraw/zinc/18/26/73/521182673.db2.gz DBWJRQLVTJWHPD-UHFFFAOYSA-N 0 1 418.559 3.982 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000032739376 521690119 /nfs/dbraw/zinc/69/01/19/521690119.db2.gz RRCPMHPDGUMRRA-UHFFFAOYSA-N 0 1 405.950 3.773 50 0 HHAAMN CN(CC(=O)Nc1cccc(I)c1)[C@@H]1CCc2ccccc21 ZINC000029483703 522512661 /nfs/dbraw/zinc/51/26/61/522512661.db2.gz RYADEAPQVOSKCF-QGZVFWFLSA-N 0 1 406.267 3.849 50 0 HHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1Cl ZINC000020577707 522813964 /nfs/dbraw/zinc/81/39/64/522813964.db2.gz NIUPZYHCNFGFGL-UHFFFAOYSA-N 0 1 422.890 3.904 50 0 HHAAMN COc1ccc(CN2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 ZINC000032893642 524026249 /nfs/dbraw/zinc/02/62/49/524026249.db2.gz YQNDHUFRRHODAS-UHFFFAOYSA-N 0 1 404.514 3.603 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)c1ccc2nc(C)c(C)nc2c1)N1CCCC1 ZINC000032841471 524793061 /nfs/dbraw/zinc/79/30/61/524793061.db2.gz UQAIPUVSSKDNJY-QFIPXVFZSA-N 0 1 404.514 3.822 50 0 HHAAMN O=S(=O)(Nc1cccc(O)c1)c1cc(Br)ccc1Br ZINC000032601898 527253389 /nfs/dbraw/zinc/25/33/89/527253389.db2.gz CDQNYVIROKRYHE-UHFFFAOYSA-N 0 1 407.083 3.718 50 0 HHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)CC)CCC2 ZINC000012180576 535711566 /nfs/dbraw/zinc/71/15/66/535711566.db2.gz LIYPAFNSNQNLPM-UHFFFAOYSA-N 0 1 402.516 3.884 50 0 HHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000010290738 535746632 /nfs/dbraw/zinc/74/66/32/535746632.db2.gz YKWVSQHAEQLYEF-UHFFFAOYSA-N 0 1 417.966 3.991 50 0 HHAAMN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000643482 557034040 /nfs/dbraw/zinc/03/40/40/557034040.db2.gz XWHSDAMUFMNYQH-UHFFFAOYSA-N 0 1 402.394 3.863 50 0 HHAAMN CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000001010421 557141579 /nfs/dbraw/zinc/14/15/79/557141579.db2.gz PDGLJDOBGSTPIX-UHFFFAOYSA-N 0 1 414.512 3.642 50 0 HHAAMN Cc1cccc(N2CCN(Cc3ccc(C(=O)NCc4cccnc4)cc3)CC2)c1C ZINC000034684870 557387943 /nfs/dbraw/zinc/38/79/43/557387943.db2.gz DTNRVSNRYQBUIH-UHFFFAOYSA-N 0 1 414.553 3.951 50 0 HHAAMN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004179248 557525322 /nfs/dbraw/zinc/52/53/22/557525322.db2.gz XPQRTZDIRPPNBW-FCHUYYIVSA-N 0 1 406.526 3.811 50 0 HHAAMN CCSCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000004451153 557555824 /nfs/dbraw/zinc/55/58/24/557555824.db2.gz NXGUFZBGEYIBFQ-CQSZACIVSA-N 0 1 404.410 3.509 50 0 HHAAMN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN(CC)CC ZINC000005048021 557629664 /nfs/dbraw/zinc/62/96/64/557629664.db2.gz VSMNDAQVHUFTBK-UHFFFAOYSA-N 0 1 420.531 3.889 50 0 HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000002709453 557744751 /nfs/dbraw/zinc/74/47/51/557744751.db2.gz AYFDYYTXTYDMSS-UHFFFAOYSA-N 0 1 418.478 3.991 50 0 HHAAMN CN1CCN([C@H](CNC(=O)c2cc(Cl)ccc2Cl)c2ccc(F)cc2)CC1 ZINC000022794795 557822306 /nfs/dbraw/zinc/82/23/06/557822306.db2.gz HTYRANFZFSFGNP-LJQANCHMSA-N 0 1 410.320 3.851 50 0 HHAAMN Fc1ccc(-c2n[nH]cc2CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000012122441 558330727 /nfs/dbraw/zinc/33/07/27/558330727.db2.gz JAEPAIDBJQQWQZ-UHFFFAOYSA-N 0 1 416.504 3.651 50 0 HHAAMN CCCCN1C(=O)NC(=O)C(=C(C)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000020292101 558354156 /nfs/dbraw/zinc/35/41/56/558354156.db2.gz VAOSXHABQCKTOP-RELWKKBWSA-N 0 1 419.525 3.951 50 0 HHAAMN CC[C@@H]1CN(CCC(=O)N[C@@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012245667 558361414 /nfs/dbraw/zinc/36/14/14/558361414.db2.gz YEXCSVRASVCNKZ-WMLDXEAASA-N 0 1 403.548 3.701 50 0 HHAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 ZINC000012298796 558368715 /nfs/dbraw/zinc/36/87/15/558368715.db2.gz SNJWHKLQKOVAAM-SFHVURJKSA-N 0 1 415.534 3.748 50 0 HHAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](OCc3cccnc3)C2)c(OC)c1 ZINC000012302332 558372061 /nfs/dbraw/zinc/37/20/61/558372061.db2.gz MPUQEFAJZPPQHA-HXUWFJFHSA-N 0 1 408.502 3.670 50 0 HHAAMN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)[nH]n2)CC1 ZINC000012316591 558379879 /nfs/dbraw/zinc/37/98/79/558379879.db2.gz UWDFPQHTJBXZME-UHFFFAOYSA-N 0 1 422.533 3.828 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2F)cc1 ZINC000020744725 558409471 /nfs/dbraw/zinc/40/94/71/558409471.db2.gz CEUULLYREYCYRV-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(CC(C)C)[nH]n2)C1 ZINC000012437705 558409508 /nfs/dbraw/zinc/40/95/08/558409508.db2.gz GPIWHBXDIVJCGJ-HSZRJFAPSA-N 0 1 415.509 3.776 50 0 HHAAMN Cc1nnc(SCCNC(=O)c2csc3nc(-c4ccccc4Cl)cn23)[nH]1 ZINC000012442915 558412603 /nfs/dbraw/zinc/41/26/03/558412603.db2.gz ARAGNYKUVMVGNZ-UHFFFAOYSA-N 0 1 418.935 3.665 50 0 HHAAMN CCc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)c1C ZINC000012446573 558414397 /nfs/dbraw/zinc/41/43/97/558414397.db2.gz JSBIGKXKYQFIOR-QHCPKHFHSA-N 0 1 414.525 3.557 50 0 HHAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000004345438 558427230 /nfs/dbraw/zinc/42/72/30/558427230.db2.gz QJEOOGFFNSCKAG-MOSHPQCFSA-N 0 1 420.444 3.762 50 0 HHAAMN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1 ZINC000012710656 558452192 /nfs/dbraw/zinc/45/21/92/558452192.db2.gz BZLGPLVQZAXIGX-UHFFFAOYSA-N 0 1 422.529 3.767 50 0 HHAAMN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC ZINC000012759125 558460626 /nfs/dbraw/zinc/46/06/26/558460626.db2.gz MCTRUCPRTCZRJA-XMMPIXPASA-N 0 1 409.530 3.536 50 0 HHAAMN CCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)n[nH]2)cnn1-c1cccc(C)c1 ZINC000012972682 558489567 /nfs/dbraw/zinc/48/95/67/558489567.db2.gz ZJOCKLJKLOBPSW-UHFFFAOYSA-N 0 1 402.458 3.789 50 0 HHAAMN O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022774204 558509106 /nfs/dbraw/zinc/50/91/06/558509106.db2.gz XKCAXJNCQRFOCJ-UHFFFAOYSA-N 0 1 420.557 3.560 50 0 HHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023718919 558570323 /nfs/dbraw/zinc/57/03/23/558570323.db2.gz FRWHTMJXZZEQFH-FQEVSTJZSA-N 0 1 416.953 3.597 50 0 HHAAMN Oc1ccccc1N1CCN(C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000024363845 558596141 /nfs/dbraw/zinc/59/61/41/558596141.db2.gz NYVQBMUXPDLIFO-QHCPKHFHSA-N 0 1 418.537 3.681 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cccnc2OCC(F)(F)F)N2CCCC2)cc1 ZINC000024538598 558600655 /nfs/dbraw/zinc/60/06/55/558600655.db2.gz MKDUCRSOCUDORT-GOSISDBHSA-N 0 1 423.435 3.598 50 0 HHAAMN CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000022936171 558666556 /nfs/dbraw/zinc/66/65/56/558666556.db2.gz KLTSQABWBUCFQB-UHFFFAOYSA-N 0 1 405.546 3.754 50 0 HHAAMN O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCC1(c2ccccc2)CCC1 ZINC000027951629 558685237 /nfs/dbraw/zinc/68/52/37/558685237.db2.gz WCMAGOZZNWCWCO-HXUWFJFHSA-N 0 1 405.542 3.575 50 0 HHAAMN O=C(c1cc(COc2cccc3cnccc32)on1)N1CCN(C2CCCC2)CC1 ZINC000014974371 558688689 /nfs/dbraw/zinc/68/86/89/558688689.db2.gz HQYXQLDTYCWNDY-UHFFFAOYSA-N 0 1 406.486 3.502 50 0 HHAAMN COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000015065854 558708587 /nfs/dbraw/zinc/70/85/87/558708587.db2.gz XLLBKSDTHAAJPN-JOCHJYFZSA-N 0 1 408.542 3.872 50 0 HHAAMN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccn2)CC1 ZINC000015074999 558715534 /nfs/dbraw/zinc/71/55/34/558715534.db2.gz UMIRTOXBHHQVKV-UHFFFAOYSA-N 0 1 405.502 3.523 50 0 HHAAMN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 ZINC000036366041 558799485 /nfs/dbraw/zinc/79/94/85/558799485.db2.gz QDEMFYMPLVBOLT-UHFFFAOYSA-N 0 1 424.404 3.509 50 0 HHAAMN NC(=O)c1cccc(CN2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c1 ZINC000071890562 558808007 /nfs/dbraw/zinc/80/80/07/558808007.db2.gz PKXFAGJTQONQHB-LJQANCHMSA-N 0 1 406.461 3.744 50 0 HHAAMN O=C(Cc1ccccc1)NCc1n[nH]c(=S)n1-c1ccc(Br)cc1 ZINC000013571945 558844633 /nfs/dbraw/zinc/84/46/33/558844633.db2.gz BZVLQDNHEXBEGB-UHFFFAOYSA-N 0 1 403.305 3.551 50 0 HHAAMN OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000019222358 558852203 /nfs/dbraw/zinc/85/22/03/558852203.db2.gz MYTKPIAPOTZWIR-JOCHJYFZSA-N 0 1 410.949 3.799 50 0 HHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000055037203 558870474 /nfs/dbraw/zinc/87/04/74/558870474.db2.gz VWJJGOLTXOHWRE-HXUWFJFHSA-N 0 1 412.509 3.653 50 0 HHAAMN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000055119644 558873241 /nfs/dbraw/zinc/87/32/41/558873241.db2.gz GSAAGSUVRWCSLI-UHFFFAOYSA-N 0 1 401.576 3.987 50 0 HHAAMN O=C(N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(c2ccccc2)CC1 ZINC000055358161 558879867 /nfs/dbraw/zinc/87/98/67/558879867.db2.gz QLTQGKYFGPZRME-QHCPKHFHSA-N 0 1 407.533 3.671 50 0 HHAAMN COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)Nc1ccccc1 ZINC000033171436 558900108 /nfs/dbraw/zinc/90/01/08/558900108.db2.gz KOCPMDDCLKSASG-UHFFFAOYSA-N 0 1 408.483 3.823 50 0 HHAAMN CCOC(=O)c1sc2nc(C)nc(N3CCN(Cc4ccccc4)CC3)c2c1C ZINC000058123852 558900195 /nfs/dbraw/zinc/90/01/95/558900195.db2.gz SBNPVALEDBXSEC-UHFFFAOYSA-N 0 1 410.543 3.807 50 0 HHAAMN Cc1cccc(N2C[C@H](C(=O)Nc3cccc(CN4CCSCC4)c3)CC2=O)c1C ZINC000058151293 558902483 /nfs/dbraw/zinc/90/24/83/558902483.db2.gz GJGKSHOIYOUUHD-HXUWFJFHSA-N 0 1 423.582 3.844 50 0 HHAAMN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000058158662 558903872 /nfs/dbraw/zinc/90/38/72/558903872.db2.gz VUMYIWQXMDYPIZ-UHFFFAOYSA-N 0 1 401.510 3.841 50 0 HHAAMN CC(C)[C@H](NC(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000058183223 558910438 /nfs/dbraw/zinc/91/04/38/558910438.db2.gz SNUIPXGYCRDILO-NRFANRHFSA-N 0 1 403.567 3.737 50 0 HHAAMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058306341 558918266 /nfs/dbraw/zinc/91/82/66/558918266.db2.gz ZNADWKNSJOLCCW-JOCHJYFZSA-N 0 1 405.546 3.685 50 0 HHAAMN Cc1cc(Br)c(O)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 ZINC000058393566 558923755 /nfs/dbraw/zinc/92/37/55/558923755.db2.gz PIAHWHBALWQRSX-UHFFFAOYSA-N 0 1 400.276 3.638 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000072117794 558927654 /nfs/dbraw/zinc/92/76/54/558927654.db2.gz HTTQOJGDTFXYOI-UHFFFAOYSA-N 0 1 402.930 3.971 50 0 HHAAMN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000019606732 558946654 /nfs/dbraw/zinc/94/66/54/558946654.db2.gz JTUAGOCWIOINHR-OAQYLSRUSA-N 0 1 405.539 3.736 50 0 HHAAMN Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c(Cl)c1 ZINC000065362065 558972841 /nfs/dbraw/zinc/97/28/41/558972841.db2.gz IGNAEKMCAZKLQF-UHFFFAOYSA-N 0 1 423.908 3.931 50 0 HHAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1ccc(F)cc1 ZINC000033270768 559032501 /nfs/dbraw/zinc/03/25/01/559032501.db2.gz ZDRZVQDBWKRABO-UHFFFAOYSA-N 0 1 424.461 3.857 50 0 HHAAMN Cc1ccc(-c2noc(CSc3nc4[nH]ncc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000033292194 559045983 /nfs/dbraw/zinc/04/59/83/559045983.db2.gz DCTKVALOYXZFGP-UHFFFAOYSA-N 0 1 416.466 3.760 50 0 HHAAMN CC(C)(C)c1ccc(CN2CCN(c3c4c(nc5ncnn53)CCCC4)CC2)cc1 ZINC000023316762 559117245 /nfs/dbraw/zinc/11/72/45/559117245.db2.gz AWQDBAAGWFDOMN-UHFFFAOYSA-N 0 1 404.562 3.623 50 0 HHAAMN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)cn2n1 ZINC000011693578 559187947 /nfs/dbraw/zinc/18/79/47/559187947.db2.gz POWMARLJDWLVCN-UHFFFAOYSA-N 0 1 414.874 3.859 50 0 HHAAMN COc1ccc(C(=O)Nc2c(N)nc(SCc3cc(C)ccc3C)[nH]c2=O)cc1 ZINC000005081609 559242708 /nfs/dbraw/zinc/24/27/08/559242708.db2.gz KZCGSBBKKXTXPH-UHFFFAOYSA-N 0 1 410.499 3.522 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000005153989 559254378 /nfs/dbraw/zinc/25/43/78/559254378.db2.gz QEXPOZVDGJBPDH-LLVKDONJSA-N 0 1 406.891 3.546 50 0 HHAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000100932821 560763581 /nfs/dbraw/zinc/76/35/81/560763581.db2.gz XIRGTAFIESYEAK-VSKRKVRLSA-N 0 1 418.424 3.885 50 0 HHAAMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1cccc(Br)c1 ZINC000102796611 560827857 /nfs/dbraw/zinc/82/78/57/560827857.db2.gz URQVXGWMMKOCSD-UHFFFAOYSA-N 0 1 424.320 3.557 50 0 HHAAMN CCc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)NC(=O)C(F)(F)F)cc1 ZINC000005717285 560842346 /nfs/dbraw/zinc/84/23/46/560842346.db2.gz CHWZAKRTENTIIM-OAHLLOKOSA-N 0 1 408.376 3.726 50 0 HHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000046146358 568430599 /nfs/dbraw/zinc/43/05/99/568430599.db2.gz YSSKONCBSSMQIN-QHCPKHFHSA-N 0 1 416.569 3.916 50 0 HHAAMN CCOc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc(Br)c1OCC ZINC000048275538 568435510 /nfs/dbraw/zinc/43/55/10/568435510.db2.gz AUKIFBYYAYILAU-PKOBYXMFSA-N 0 1 406.320 3.994 50 0 HHAAMN COc1cc2c(cc1OC)CN(C(=O)CN1CCC(CCc3ccccc3)CC1)CC2 ZINC000022134829 568475792 /nfs/dbraw/zinc/47/57/92/568475792.db2.gz OPYZDLMRXBRISP-UHFFFAOYSA-N 0 1 422.569 3.933 50 0 HHAAMN CN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000020107918 568588426 /nfs/dbraw/zinc/58/84/26/568588426.db2.gz BRJCPTAOQMNXGR-UHFFFAOYSA-N 0 1 406.983 3.770 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCc4ccccc4)c3=O)c2c1 ZINC000020330513 568599400 /nfs/dbraw/zinc/59/94/00/568599400.db2.gz MWRMFODAZFZGAA-UHFFFAOYSA-N 0 1 422.510 3.646 50 0 HHAAMN CCCOc1ccc(OCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000095365181 568602002 /nfs/dbraw/zinc/60/20/02/568602002.db2.gz SRCKBNMNUFCHGH-UHFFFAOYSA-N 0 1 400.494 3.774 50 0 HHAAMN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000040043164 568609249 /nfs/dbraw/zinc/60/92/49/568609249.db2.gz UIVYPRRDBJSMNK-INIZCTEOSA-N 0 1 415.588 3.787 50 0 HHAAMN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CN1CCN(C)CC1 ZINC000095476707 568630496 /nfs/dbraw/zinc/63/04/96/568630496.db2.gz IKZNFHXENIYYDN-UHFFFAOYSA-N 0 1 403.482 3.965 50 0 HHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccccc1Br ZINC000020889962 568647735 /nfs/dbraw/zinc/64/77/35/568647735.db2.gz GSVJEMUHADKCPD-UHFFFAOYSA-N 0 1 417.351 3.783 50 0 HHAAMN O=c1cc(CSc2nc(-c3ccccc3)n[nH]2)nc2sc(-c3cccs3)nn21 ZINC000020982828 568654805 /nfs/dbraw/zinc/65/48/05/568654805.db2.gz TYFAQGLMDCZDGZ-UHFFFAOYSA-N 0 1 424.536 3.957 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c(OC)c1 ZINC000020990121 568655764 /nfs/dbraw/zinc/65/57/64/568655764.db2.gz XZHJHGJYSGIPGY-UHFFFAOYSA-N 0 1 414.483 3.813 50 0 HHAAMN COc1ccc(C)cc1NC(=O)NCCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000021174766 568677046 /nfs/dbraw/zinc/67/70/46/568677046.db2.gz ONWUHEDVVBGYIE-UHFFFAOYSA-N 0 1 410.562 3.954 50 0 HHAAMN COc1ccc(CN2CCC(NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1OC ZINC000096116242 568695878 /nfs/dbraw/zinc/69/58/78/568695878.db2.gz CBNRDAKDWQXBBI-UHFFFAOYSA-N 0 1 421.541 3.899 50 0 biogenic HHAAMN COc1ccc(CNC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000229428269 568713885 /nfs/dbraw/zinc/71/38/85/568713885.db2.gz JJYFSVXSZXCTHI-AZUAARDMSA-N 0 1 402.560 3.741 50 0 HHAAMN C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)cc2F)C[C@H](C)O1 ZINC000229762457 568715257 /nfs/dbraw/zinc/71/52/57/568715257.db2.gz PRPMLKFYHNBGTJ-ZRGWGRIASA-N 0 1 420.554 3.925 50 0 HHAAMN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c(C)c1 ZINC000096324682 568734187 /nfs/dbraw/zinc/73/41/87/568734187.db2.gz UIMSERCQZZXHRF-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000096379551 568741185 /nfs/dbraw/zinc/74/11/85/568741185.db2.gz PTEYBZVTRLTIOI-UHFFFAOYSA-N 0 1 400.382 3.810 50 0 HHAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c1 ZINC000096379707 568741435 /nfs/dbraw/zinc/74/14/35/568741435.db2.gz XJZPLOVHAIYPKY-UHFFFAOYSA-N 0 1 414.487 3.952 50 0 HHAAMN O=c1[nH]c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccsc21 ZINC000021822153 568754557 /nfs/dbraw/zinc/75/45/57/568754557.db2.gz GPAXDBFZUYXJJG-UHFFFAOYSA-N 0 1 416.550 3.892 50 0 HHAAMN O=C(COc1ccccc1)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000097064081 568767320 /nfs/dbraw/zinc/76/73/20/568767320.db2.gz SBBTXPBCDGHKFF-UHFFFAOYSA-N 0 1 415.537 3.704 50 0 HHAAMN Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000002625955 568789290 /nfs/dbraw/zinc/78/92/90/568789290.db2.gz WFXKQGPMHXDNRS-UHFFFAOYSA-N 0 1 417.332 3.951 50 0 HHAAMN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000029837100 568837039 /nfs/dbraw/zinc/83/70/39/568837039.db2.gz CGPBJJNLZWCLAR-VQTJNVASSA-N 0 1 419.928 3.653 50 0 HHAAMN C[N@H+](CCOc1ccc(Br)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000057442490 568837066 /nfs/dbraw/zinc/83/70/66/568837066.db2.gz GLFPZOLWMFDXMR-UHFFFAOYSA-N 0 1 404.260 3.772 50 0 HHAAMN C[N@@H+](CCOc1ccc(Br)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000057442490 568837067 /nfs/dbraw/zinc/83/70/67/568837067.db2.gz GLFPZOLWMFDXMR-UHFFFAOYSA-N 0 1 404.260 3.772 50 0 HHAAMN Cc1cc(NS(=O)(=O)c2ccccc2Br)ccc1N1CCCC1=O ZINC000012541866 568848773 /nfs/dbraw/zinc/84/87/73/568848773.db2.gz MSBLJTHNICKLOL-UHFFFAOYSA-N 0 1 409.305 3.685 50 0 HHAAMN O=C(CSc1nc2ccccc2n1C(F)F)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012544432 568849641 /nfs/dbraw/zinc/84/96/41/568849641.db2.gz KXQNVGIODCSAQP-MRXNPFEDSA-N 0 1 416.497 3.914 50 0 HHAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCc1cccs1 ZINC000003452573 568860037 /nfs/dbraw/zinc/86/00/37/568860037.db2.gz UBIWUZNXMDQFLR-UHFFFAOYSA-N 0 1 409.334 3.704 50 0 HHAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)cc1 ZINC000012605676 568871042 /nfs/dbraw/zinc/87/10/42/568871042.db2.gz YSDMOJOUZKJZES-UHFFFAOYSA-N 0 1 408.907 3.776 50 0 HHAAMN O=C([O-])CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CCOCC1 ZINC000299800863 568876669 /nfs/dbraw/zinc/87/66/69/568876669.db2.gz WCUMKRZZVZTGQZ-UKILVPOCSA-N 0 1 422.569 3.706 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)C2)ccc1C ZINC000012728942 568921151 /nfs/dbraw/zinc/92/11/51/568921151.db2.gz WHTIEFKMRQCKGV-HNNXBMFYSA-N 0 1 402.516 3.677 50 0 HHAAMN CCN(C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC000084779638 568959232 /nfs/dbraw/zinc/95/92/32/568959232.db2.gz HOKJXTJONGYPHC-YOFSQIOKSA-N 0 1 401.551 3.902 50 0 HHAAMN CCCCc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000004306491 568960649 /nfs/dbraw/zinc/96/06/49/568960649.db2.gz IKZKQJSTEIFREN-UHFFFAOYSA-N 0 1 403.529 3.871 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3cccn3)cc2)N2CCCCC2)cc1 ZINC000007989702 568966500 /nfs/dbraw/zinc/96/65/00/568966500.db2.gz RXDMWLYIOZTWEQ-QHCPKHFHSA-N 0 1 404.514 3.838 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n[nH]2)c(C)c1 ZINC000015680730 568967553 /nfs/dbraw/zinc/96/75/53/568967553.db2.gz KEKVWKDEXKYYIU-UHFFFAOYSA-N 0 1 422.916 3.945 50 0 HHAAMN CCCCc1nn2c(nc(CSc3nc(-c4ccccc4F)n[nH]3)cc2=O)s1 ZINC000015731874 568982252 /nfs/dbraw/zinc/98/22/52/568982252.db2.gz KUBUYFSJEQYRGG-UHFFFAOYSA-N 0 1 416.507 3.710 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCCCn2c(=O)[nH]c3ccccc32)n1 ZINC000008328954 568992965 /nfs/dbraw/zinc/99/29/65/568992965.db2.gz AUIRTTNSVKTLSD-UHFFFAOYSA-N 0 1 415.906 3.959 50 0 HHAAMN O=C(Cn1c2ccccc2nc1-c1cscn1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000008338269 568993298 /nfs/dbraw/zinc/99/32/98/568993298.db2.gz VDIIYSDCYDXWOA-IBGZPJMESA-N 0 1 421.526 3.706 50 0 HHAAMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1nccnc1-c1nc2ccccc2s1 ZINC000008367133 568995478 /nfs/dbraw/zinc/99/54/78/568995478.db2.gz JHVXONMNEJMRFN-KRWDZBQOSA-N 0 1 415.522 3.758 50 0 HHAAMN CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000012877859 569013977 /nfs/dbraw/zinc/01/39/77/569013977.db2.gz IRVBWZRCXIXLBT-UHFFFAOYSA-N 0 1 409.486 3.757 50 0 HHAAMN COc1cc(OC)cc(-c2noc(CSc3nc(=O)c4sccc4[nH]3)n2)c1 ZINC000035480872 569039356 /nfs/dbraw/zinc/03/93/56/569039356.db2.gz SQHYMEYIRLSTRE-UHFFFAOYSA-N 0 1 402.457 3.756 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000006316911 569040281 /nfs/dbraw/zinc/04/02/81/569040281.db2.gz ZKHUPFYAXFOXMH-INIZCTEOSA-N 0 1 410.495 3.987 50 0 HHAAMN Cc1nc(-n2cccc2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000090607826 569042103 /nfs/dbraw/zinc/04/21/03/569042103.db2.gz QGOHHOPWNGSONQ-UHFFFAOYSA-N 0 1 415.419 3.557 50 0 HHAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(OC)c1OC ZINC000006364680 569046004 /nfs/dbraw/zinc/04/60/04/569046004.db2.gz MHFLBRDHUQVIMT-LJQANCHMSA-N 0 1 417.531 3.969 50 0 HHAAMN C[C@H]1CN(CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C[C@H](C)O1 ZINC000012999040 569048931 /nfs/dbraw/zinc/04/89/31/569048931.db2.gz KUBHDMBHEZRVIV-ROUUACIJSA-N 0 1 410.518 3.560 50 0 HHAAMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccc2c(c1)NC(=O)CO2 ZINC000053398733 569052749 /nfs/dbraw/zinc/05/27/49/569052749.db2.gz KQJBKQQNTYCYCE-UHFFFAOYSA-N 0 1 402.385 3.952 50 0 HHAAMN COc1cccc(CN2CCC[C@@]3(CCN(c4noc(C(C)C)n4)C3)C2)c1OC ZINC000426739085 569074151 /nfs/dbraw/zinc/07/41/51/569074151.db2.gz PYNKTPFTVYKWPS-JOCHJYFZSA-N 0 1 400.523 3.703 50 0 HHAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743263 569108007 /nfs/dbraw/zinc/10/80/07/569108007.db2.gz FFDSSKCYHDETKI-HSZRJFAPSA-N 0 1 421.497 3.725 50 0 HHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021336 569154372 /nfs/dbraw/zinc/15/43/72/569154372.db2.gz RTVUPTSYBKMPRG-UHFFFAOYSA-N 0 1 414.527 3.839 50 0 HHAAMN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C)c(N(C)C)c1 ZINC000006887690 569171185 /nfs/dbraw/zinc/17/11/85/569171185.db2.gz FOEFMVDDWATMQG-UHFFFAOYSA-N 0 1 401.488 3.834 50 0 HHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000065115954 569179669 /nfs/dbraw/zinc/17/96/69/569179669.db2.gz CRZOGBUDUYSFSO-UHFFFAOYSA-N 0 1 419.434 3.557 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(OC)c(F)c3)c(C)n2CC)o1 ZINC000065186619 569192215 /nfs/dbraw/zinc/19/22/15/569192215.db2.gz ZVCQKLOSBFEMNJ-UHFFFAOYSA-N 0 1 422.482 3.686 50 0 HHAAMN O=C(c1cn2ccnc(-c3ccc(F)cc3)c2n1)N1CCN(C2CCCCC2)CC1 ZINC000065274514 569215135 /nfs/dbraw/zinc/21/51/35/569215135.db2.gz FFGGJILVFOYMBD-UHFFFAOYSA-N 0 1 407.493 3.626 50 0 HHAAMN COC(=O)[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1c1ccsc1 ZINC000170601411 569243233 /nfs/dbraw/zinc/24/32/33/569243233.db2.gz GFRSQZAFYQYSSU-NEPJUHHUSA-N 0 1 400.283 3.789 50 0 HHAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cnccn1 ZINC000010027244 569252934 /nfs/dbraw/zinc/25/29/34/569252934.db2.gz PLFFSSYMRRXFLE-UHFFFAOYSA-N 0 1 423.281 3.837 50 0 HHAAMN c1nc2nc(-c3ccccc3)cc(N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)n2n1 ZINC000089851103 569267332 /nfs/dbraw/zinc/26/73/32/569267332.db2.gz ZEQZRFCVCSUTNJ-LJQANCHMSA-N 0 1 408.469 3.918 50 0 HHAAMN c1nc2nc(-c3ccccc3)cc(N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)n2n1 ZINC000089851103 569267333 /nfs/dbraw/zinc/26/73/33/569267333.db2.gz ZEQZRFCVCSUTNJ-LJQANCHMSA-N 0 1 408.469 3.918 50 0 HHAAMN Cc1cc(CN(C)Cc2cc(=O)n3ccccc3n2)cc(C)c1OCC(F)(F)F ZINC000054396004 569277650 /nfs/dbraw/zinc/27/76/50/569277650.db2.gz SGOABTRKPICZLU-UHFFFAOYSA-N 0 1 405.420 3.884 50 0 HHAAMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000027305059 569293320 /nfs/dbraw/zinc/29/33/20/569293320.db2.gz JCWZQAFNBKXKPE-OVCLIPMQSA-N 0 1 417.259 3.525 50 0 HHAAMN [NH3+][C@@H](CCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000170677477 569298066 /nfs/dbraw/zinc/29/80/66/569298066.db2.gz VOUDSWOCIYOBSB-NRFANRHFSA-N 0 1 423.538 3.584 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000007746066 569306281 /nfs/dbraw/zinc/30/62/81/569306281.db2.gz IDHFLOFUNXIYJP-UHFFFAOYSA-N 0 1 413.465 3.566 50 0 HHAAMN COc1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471095 569381062 /nfs/dbraw/zinc/38/10/62/569381062.db2.gz LMMWNKQMOHNDPX-IBGZPJMESA-N 0 1 409.438 3.832 50 0 HHAAMN CCOC(=O)C1=C(CNCc2cccc(C)c2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000055227023 569395064 /nfs/dbraw/zinc/39/50/64/569395064.db2.gz XCMFMDPBKODMLU-JOCHJYFZSA-N 0 1 407.514 3.573 50 0 HHAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000067284196 571063270 /nfs/dbraw/zinc/06/32/70/571063270.db2.gz LRJKDNTYTBKULQ-UHFFFAOYSA-N 0 1 404.518 3.690 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C ZINC000008840844 571124083 /nfs/dbraw/zinc/12/40/83/571124083.db2.gz NBRXFHLNPZTAQX-UHFFFAOYSA-N 0 1 402.516 3.740 50 0 HHAAMN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000008893331 571143079 /nfs/dbraw/zinc/14/30/79/571143079.db2.gz NSGYVSSOAFRYKG-SFHVURJKSA-N 0 1 407.486 3.698 50 0 HHAAMN CN(C)[C@@H](CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(F)c1 ZINC000040103432 571163898 /nfs/dbraw/zinc/16/38/98/571163898.db2.gz PDQJVLXUHKCUDY-FQEVSTJZSA-N 0 1 420.916 3.740 50 0 HHAAMN O=C(Nc1ccc(F)c(F)c1)c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000009151976 571230718 /nfs/dbraw/zinc/23/07/18/571230718.db2.gz XERMNOTZHRJQDY-UHFFFAOYSA-N 0 1 407.373 3.552 50 0 HHAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009169078 571233397 /nfs/dbraw/zinc/23/33/97/571233397.db2.gz JGFOQUSOIKBSCY-UHFFFAOYSA-N 0 1 410.879 3.507 50 0 HHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2cccc(F)c2)c(C)n1C ZINC000009685303 571279819 /nfs/dbraw/zinc/27/98/19/571279819.db2.gz JKWWYMJKVZWZAO-UHFFFAOYSA-N 0 1 407.511 3.598 50 0 HHAAMN COc1ccc(-c2ncc(CN3CCC(CO)(C[C@H]4CCCCO4)CC3)cn2)cc1 ZINC000011934980 962210336 /nfs/dbraw/zinc/21/03/36/962210336.db2.gz CYVVINVVXOFQSQ-JOCHJYFZSA-N 0 1 411.546 3.686 50 0 HHAAMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012889203 962345461 /nfs/dbraw/zinc/34/54/61/962345461.db2.gz MYYDLZLBSMKMRH-CMDGGOBGSA-N 0 1 407.499 3.514 50 0 HHAAMN Cc1nc2sccn2c1CN1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000015065413 962645776 /nfs/dbraw/zinc/64/57/76/962645776.db2.gz DRYXOFIRMYEDQU-QGZVFWFLSA-N 0 1 420.542 3.741 50 0 HHAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc3c(c2)OCCO3)CC1)C1CCCC1 ZINC000015074522 962650010 /nfs/dbraw/zinc/65/00/10/962650010.db2.gz HESOUYLQAXKNJO-UHFFFAOYSA-N 0 1 410.518 3.620 50 0 HHAAMN COc1cc(-c2ccc(C)s2)cc2c1OCCN(C1CCN(C(C)=O)CC1)C2 ZINC000020256786 963386460 /nfs/dbraw/zinc/38/64/60/963386460.db2.gz FGPRQXZCPSOFLA-UHFFFAOYSA-N 0 1 400.544 3.937 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)n2)o1 ZINC000096941503 969059528 /nfs/dbraw/zinc/05/95/28/969059528.db2.gz TVFSEYQGPMTNFR-ASCRHOAZSA-N 0 1 423.498 3.733 50 0 HHAAMN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br ZINC000000679578 132230667 /nfs/dbraw/zinc/23/06/67/132230667.db2.gz FRGDCWYBTGNNGW-UHFFFAOYSA-N 0 1 418.335 3.852 50 0 HHAAMN CCN1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002356928 132253230 /nfs/dbraw/zinc/25/32/30/132253230.db2.gz WCARKBKHHRSFRG-UHFFFAOYSA-N 0 1 409.534 3.888 50 0 HHAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(N2CCOCC2)cc1 ZINC000002622639 132255942 /nfs/dbraw/zinc/25/59/42/132255942.db2.gz AYFQOMRAABZEFD-UHFFFAOYSA-N 0 1 402.907 3.784 50 0 HHAAMN COc1ccc(NC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004791785 132288724 /nfs/dbraw/zinc/28/87/24/132288724.db2.gz ORKWJFBJLLIXNV-UHFFFAOYSA-N 0 1 402.926 3.682 50 0 HHAAMN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000008188963 132328371 /nfs/dbraw/zinc/32/83/71/132328371.db2.gz AFMBLIKULRZCCH-SFHVURJKSA-N 0 1 419.566 3.524 50 0 HHAAMN Cc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1C ZINC000011697986 132349961 /nfs/dbraw/zinc/34/99/61/132349961.db2.gz PPDNLLBYRXQCLS-UHFFFAOYSA-N 0 1 403.490 3.586 50 0 HHAAMN CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000032948588 520494727 /nfs/dbraw/zinc/49/47/27/520494727.db2.gz QNKLFELSRMFBMS-UHFFFAOYSA-N 0 1 420.585 3.774 50 0 HHAAMN CCOc1ccccc1CN1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020601268 521483869 /nfs/dbraw/zinc/48/38/69/521483869.db2.gz FMCQCQCOAYGEEY-QHCPKHFHSA-N 0 1 405.542 3.702 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)c2ccc(NC(=O)c3ccco3)s2)CC1 ZINC000032898771 521700078 /nfs/dbraw/zinc/70/00/78/521700078.db2.gz GOYIGMFHLPQUKG-UHFFFAOYSA-N 0 1 424.526 3.988 50 0 HHAAMN COC(=O)c1sccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032858066 522445108 /nfs/dbraw/zinc/44/51/08/522445108.db2.gz DUWJNBNDZCSJAF-UHFFFAOYSA-N 0 1 416.499 3.647 50 0 HHAAMN Cc1cccc(CN(CCC(=O)N2CCNCC2)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000045966957 524381883 /nfs/dbraw/zinc/38/18/83/524381883.db2.gz TZFVZCXBPUTEHD-UHFFFAOYSA-N 0 1 421.585 3.757 50 0 HHAAMN O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2nc(C3CCCC3)n[nH]2)C1=O ZINC000032883962 526687937 /nfs/dbraw/zinc/68/79/37/526687937.db2.gz SYDINTQCEQTSAZ-MRXNPFEDSA-N 0 1 402.495 3.915 50 0 HHAAMN O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2n[nH]c(C3CCCC3)n2)C1=O ZINC000032883962 526687943 /nfs/dbraw/zinc/68/79/43/526687943.db2.gz SYDINTQCEQTSAZ-MRXNPFEDSA-N 0 1 402.495 3.915 50 0 HHAAMN Cc1nc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)sc1-c1ccccn1 ZINC000032899118 526991251 /nfs/dbraw/zinc/99/12/51/526991251.db2.gz MPZASZBPMAVFKW-UHFFFAOYSA-N 0 1 419.466 3.927 50 0 HHAAMN COc1ccc2cc(CNCc3ccc(F)cc3)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000012078952 537034965 /nfs/dbraw/zinc/03/49/65/537034965.db2.gz FNOMRGISVIHHTH-GOSISDBHSA-N 0 1 409.505 3.881 50 0 HHAAMN CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OC[C@@H]1CCCO1 ZINC000000853931 557102225 /nfs/dbraw/zinc/10/22/25/557102225.db2.gz HDWVVZKNCFAWCI-RBBKRZOGSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1ccccc1 ZINC000001088663 557177212 /nfs/dbraw/zinc/17/72/12/557177212.db2.gz QWJSSJJUBFTSEB-IBGZPJMESA-N 0 1 410.499 3.718 50 0 HHAAMN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(Cl)cc(OC)c1OC ZINC000001169039 557222761 /nfs/dbraw/zinc/22/27/61/557222761.db2.gz LRLRSYQTSICKAK-SFHVURJKSA-N 0 1 416.861 3.686 50 0 HHAAMN CCOC(=O)CCCCCC(=O)c1ccccc1CN1CCC2(CC1)OCCO2 ZINC000002515762 557354021 /nfs/dbraw/zinc/35/40/21/557354021.db2.gz YNNJVIUFLWQGEC-UHFFFAOYSA-N 0 1 403.519 3.722 50 0 HHAAMN CCOC(=O)c1cnc(C(F)(F)F)nc1Sc1nc(-c2cccs2)n[nH]1 ZINC000003129623 557449178 /nfs/dbraw/zinc/44/91/78/557449178.db2.gz JTYHPUZZKGXTCV-UHFFFAOYSA-N 0 1 401.395 3.670 50 0 HHAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004145245 557519828 /nfs/dbraw/zinc/51/98/28/557519828.db2.gz WDBMZJOPGFWNLS-SFHVURJKSA-N 0 1 418.534 3.805 50 0 HHAAMN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)CC1 ZINC000004147517 557520049 /nfs/dbraw/zinc/52/00/49/557520049.db2.gz CDKCFQOBDRTWOI-UHFFFAOYSA-N 0 1 409.511 3.908 50 0 HHAAMN O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)N1 ZINC000004508746 557561624 /nfs/dbraw/zinc/56/16/24/557561624.db2.gz TYDQYRUAHAVNGH-RIYZIHGNSA-N 0 1 407.651 3.862 50 0 HHAAMN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(Cl)c2Cl)n2ncnc2N1 ZINC000004987022 557621285 /nfs/dbraw/zinc/62/12/85/557621285.db2.gz JBWCGLUCUKRGDT-BDJLRTHQSA-N 0 1 409.273 3.596 50 0 HHAAMN CCOC(=O)c1sc(NC(=O)c2onc(C)c2Cl)c(C(=O)OCC)c1C ZINC000006738151 557718278 /nfs/dbraw/zinc/71/82/78/557718278.db2.gz HMNOPWSDXIUARW-UHFFFAOYSA-N 0 1 400.840 3.612 50 0 HHAAMN CCN1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1 ZINC000022822160 557832927 /nfs/dbraw/zinc/83/29/27/557832927.db2.gz DPFREBAXTBDWSA-UHFFFAOYSA-N 0 1 411.937 3.617 50 0 HHAAMN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cnc[nH]2)c1OC ZINC000011663334 558266990 /nfs/dbraw/zinc/26/69/90/558266990.db2.gz GCJZBAFRGWCNCL-NRFANRHFSA-N 0 1 402.454 3.696 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000011664414 558267853 /nfs/dbraw/zinc/26/78/53/558267853.db2.gz AAZJATQPSYZFEN-HSZRJFAPSA-N 0 1 411.452 3.812 50 0 HHAAMN COC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000011767776 558274084 /nfs/dbraw/zinc/27/40/84/558274084.db2.gz DFRTXPMCBDSTLR-UHFFFAOYSA-N 0 1 419.481 3.653 50 0 HHAAMN CC[C@@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccc(Cl)cc2O1 ZINC000011786755 558276148 /nfs/dbraw/zinc/27/61/48/558276148.db2.gz FACYANXFTBYNML-LJQANCHMSA-N 0 1 417.937 3.683 50 0 HHAAMN O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCCCn1cccn1 ZINC000019850654 558295371 /nfs/dbraw/zinc/29/53/71/558295371.db2.gz HBUSOKPCXOUCMY-HSZRJFAPSA-N 0 1 422.504 3.555 50 0 HHAAMN O=C(COc1ccc(Br)cc1)N1CCN(CCCc2ccccc2)CC1 ZINC000019889320 558302518 /nfs/dbraw/zinc/30/25/18/558302518.db2.gz ODOAUYHUPHXSPM-UHFFFAOYSA-N 0 1 417.347 3.605 50 0 HHAAMN O=C1CCN(Cc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1C(F)(F)F ZINC000011966498 558304279 /nfs/dbraw/zinc/30/42/79/558304279.db2.gz XUUSLUJEJVAFQF-UHFFFAOYSA-N 0 1 420.431 3.711 50 0 HHAAMN CO[C@@H]1CCCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 ZINC000012197208 558350291 /nfs/dbraw/zinc/35/02/91/558350291.db2.gz FYGKEPONFGFFSV-JOCHJYFZSA-N 0 1 423.557 3.684 50 0 HHAAMN O=C1CCN(Cc2cccn2-c2ccc(Cl)cn2)CCN1Cc1ccccc1F ZINC000012218372 558354564 /nfs/dbraw/zinc/35/45/64/558354564.db2.gz LQUDLSOLEJRTLW-UHFFFAOYSA-N 0 1 412.896 3.899 50 0 HHAAMN Cc1ccc2nc([C@@H]3CCCN3Cc3nc(-c4ccc5c(c4)OCO5)no3)[nH]c2c1 ZINC000012303277 558372931 /nfs/dbraw/zinc/37/29/31/558372931.db2.gz JMJMLCAQTXXIFX-KRWDZBQOSA-N 0 1 403.442 3.987 50 0 HHAAMN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000012434133 558408114 /nfs/dbraw/zinc/40/81/14/558408114.db2.gz RRVDZXIBVHQVIB-JOCHJYFZSA-N 0 1 417.456 3.594 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc(Cl)c1Cl ZINC000020738408 558408411 /nfs/dbraw/zinc/40/84/11/558408411.db2.gz NUZINJIHXQGWDQ-ZDUSSCGKSA-N 0 1 402.241 3.774 50 0 HHAAMN Cc1cccc2nc(CCNC(=O)c3cc(COc4ccc(F)cc4F)on3)[nH]c21 ZINC000012446153 558413985 /nfs/dbraw/zinc/41/39/85/558413985.db2.gz NWLWILVWHNBACK-UHFFFAOYSA-N 0 1 412.396 3.689 50 0 HHAAMN COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012458069 558417999 /nfs/dbraw/zinc/41/79/99/558417999.db2.gz AXYPDWMLKORYNS-KRWDZBQOSA-N 0 1 403.906 3.815 50 0 HHAAMN COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@H](C)CC(F)(F)F)CC2)c1 ZINC000012474092 558422392 /nfs/dbraw/zinc/42/23/92/558422392.db2.gz OQGKHHODGGHRPA-CYBMUJFWSA-N 0 1 400.441 3.772 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc4ccccc4o3)C2)cc1 ZINC000012718894 558456234 /nfs/dbraw/zinc/45/62/34/558456234.db2.gz NLJPQFIPVGDPOA-QGZVFWFLSA-N 0 1 414.527 3.632 50 0 HHAAMN C[C@@H](NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995939 558498603 /nfs/dbraw/zinc/49/86/03/558498603.db2.gz HSGYQRONQBZKBM-WZONZLPQSA-N 0 1 422.550 3.711 50 0 HHAAMN COc1cc(/C=C/CN2CCN(Cc3ccccc3)CC2)cc(Br)c1O ZINC000022579072 558499894 /nfs/dbraw/zinc/49/98/94/558499894.db2.gz GEZAYMMFDBXVMS-VMPITWQZSA-N 0 1 417.347 3.994 50 0 HHAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2cccnc2)cc1 ZINC000013003199 558501317 /nfs/dbraw/zinc/50/13/17/558501317.db2.gz QJYDHTIGPRKTTN-OAQYLSRUSA-N 0 1 414.421 3.991 50 0 HHAAMN Fc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3nccnc32)cc1 ZINC000013010640 558503020 /nfs/dbraw/zinc/50/30/20/558503020.db2.gz DTXNVWLGPFWIQV-UHFFFAOYSA-N 0 1 415.476 3.625 50 0 HHAAMN C[C@H](C(=O)NCCc1cccs1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022803567 558513564 /nfs/dbraw/zinc/51/35/64/558513564.db2.gz BJHHCXNKQJUYMI-LJQANCHMSA-N 0 1 407.583 3.766 50 0 HHAAMN CCOc1cc2c(cc1CN[C@H](CN1CCOCC1)c1ccc(C)cc1)O[C@H](C)C2 ZINC000022804523 558513831 /nfs/dbraw/zinc/51/38/31/558513831.db2.gz DORQMBXFLIFGAS-AUSIDOKSSA-N 0 1 410.558 3.880 50 0 HHAAMN CCOc1ccc(CN2CCN(C/C=C/c3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000022913448 558520629 /nfs/dbraw/zinc/52/06/29/558520629.db2.gz MBXADFLSFSJJOZ-OIUIXCLQSA-N 0 1 410.558 3.676 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000022916444 558521670 /nfs/dbraw/zinc/52/16/70/558521670.db2.gz HSRVNDVTGWXJCD-KRWDZBQOSA-N 0 1 401.938 3.536 50 0 HHAAMN COc1ccccc1CCNc1nc(CN2CCN(C(C)C)CC2)nc2ccccc21 ZINC000023338977 558550352 /nfs/dbraw/zinc/55/03/52/558550352.db2.gz QQJBVHRWAMHUIE-UHFFFAOYSA-N 0 1 419.573 3.819 50 0 HHAAMN CCNC(=O)NC(=O)[C@H](Sc1nc(Cc2ccccc2)c(C)[nH]1)c1ccccc1 ZINC000004492636 558609727 /nfs/dbraw/zinc/60/97/27/558609727.db2.gz ZUPXRQPREPRDRJ-LJQANCHMSA-N 0 1 408.527 3.988 50 0 HHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000025331696 558638616 /nfs/dbraw/zinc/63/86/16/558638616.db2.gz PUBCMBYZBZXZTQ-OAQYLSRUSA-N 0 1 421.570 3.913 50 0 HHAAMN C[C@H]1Sc2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2NC1=O ZINC000014226675 558638821 /nfs/dbraw/zinc/63/88/21/558638821.db2.gz WWXBMDSNJLUCQZ-CZUORRHYSA-N 0 1 401.557 3.748 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)Cc2ccc(NC(C)=O)cc2)N2CCCCC2)cc1 ZINC000014233361 558640451 /nfs/dbraw/zinc/64/04/51/558640451.db2.gz QJQLRDKUJRFDAT-HSZRJFAPSA-N 0 1 409.530 3.540 50 0 HHAAMN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1 ZINC000026173123 558656773 /nfs/dbraw/zinc/65/67/73/558656773.db2.gz WYTWCMWAKPFZQN-ROUUACIJSA-N 0 1 420.557 3.842 50 0 HHAAMN CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000014542884 558660545 /nfs/dbraw/zinc/66/05/45/558660545.db2.gz RJLBMGVIHFISSS-UHFFFAOYSA-N 0 1 414.509 3.664 50 0 HHAAMN CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000022936112 558666541 /nfs/dbraw/zinc/66/65/41/558666541.db2.gz NGGUZLZJIIENPS-UHFFFAOYSA-N 0 1 411.937 3.709 50 0 HHAAMN CCSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)n1 ZINC000028289368 558696069 /nfs/dbraw/zinc/69/60/69/558696069.db2.gz VTBZHPAPPIGMOS-KRWDZBQOSA-N 0 1 420.966 3.818 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000016096391 558771666 /nfs/dbraw/zinc/77/16/66/558771666.db2.gz XHVFWERWWIEZBV-UHFFFAOYSA-N 0 1 424.478 3.819 50 0 HHAAMN COc1cc(C)c(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1OC ZINC000016231659 558780098 /nfs/dbraw/zinc/78/00/98/558780098.db2.gz MNPBSCYPZNRQLQ-UHFFFAOYSA-N 0 1 413.449 3.510 50 0 HHAAMN COC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1C ZINC000016426685 558790646 /nfs/dbraw/zinc/79/06/46/558790646.db2.gz VGBDRJLUXPBUBQ-UHFFFAOYSA-N 0 1 424.478 3.835 50 0 HHAAMN Cc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)[nH]c2c1 ZINC000033070728 558866145 /nfs/dbraw/zinc/86/61/45/558866145.db2.gz ZLNJKVXOMQFFNB-UHFFFAOYSA-N 0 1 421.520 3.576 50 0 HHAAMN COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1C ZINC000055325890 558879125 /nfs/dbraw/zinc/87/91/25/558879125.db2.gz JKOGNOBPWWQKOR-JOCHJYFZSA-N 0 1 407.558 3.739 50 0 HHAAMN O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC000055341574 558879319 /nfs/dbraw/zinc/87/93/19/558879319.db2.gz DHPMXMBPJJIEOW-KRWDZBQOSA-N 0 1 403.471 3.503 50 0 HHAAMN COc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1I ZINC000058160711 558905368 /nfs/dbraw/zinc/90/53/68/558905368.db2.gz ZVHABDXESJHHNY-GFCCVEGCSA-N 0 1 410.255 3.589 50 0 HHAAMN CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000058162901 558906259 /nfs/dbraw/zinc/90/62/59/558906259.db2.gz NVLFTLSVZHHKDI-CQSZACIVSA-N 0 1 414.506 3.551 50 0 HHAAMN O=C1c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(=O)N1Cc1ccsc1 ZINC000064093176 558962140 /nfs/dbraw/zinc/96/21/40/558962140.db2.gz PJLKFAXQXZRCSO-UHFFFAOYSA-N 0 1 417.534 3.867 50 0 HHAAMN CN1CCCC[C@@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673274 558991087 /nfs/dbraw/zinc/99/10/87/558991087.db2.gz KEMOEUZWPIVOPM-LJQANCHMSA-N 0 1 400.906 3.918 50 0 HHAAMN O[C@@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023115042 559012603 /nfs/dbraw/zinc/01/26/03/559012603.db2.gz RJWQTVREXYCKFM-XLNBUVHKSA-N 0 1 402.554 3.542 50 0 HHAAMN Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000023133022 559017965 /nfs/dbraw/zinc/01/79/65/559017965.db2.gz NSOWXLZHTHTYJX-NRFANRHFSA-N 0 1 413.543 3.894 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3ccccc3)cc2)n1 ZINC000033341820 559064862 /nfs/dbraw/zinc/06/48/62/559064862.db2.gz DQADLPSRODRHAL-JYRVWZFOSA-N 0 1 408.483 3.546 50 0 HHAAMN COc1cc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2)nc(C)n1 ZINC000011613291 559113940 /nfs/dbraw/zinc/11/39/40/559113940.db2.gz PACKIIFZBJMCTQ-UHFFFAOYSA-N 0 1 414.487 3.655 50 0 HHAAMN COc1ccc(-c2n[nH]c(S[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)n2)cc1 ZINC000100116429 559129929 /nfs/dbraw/zinc/12/99/29/559129929.db2.gz RXNZZGHMDZMJRB-OAHLLOKOSA-N 0 1 414.874 3.558 50 0 HHAAMN O=C(COc1ccc(Cl)cc1)NCc1n[nH]c(=S)n1-c1cccc(Cl)c1 ZINC000005128730 559249028 /nfs/dbraw/zinc/24/90/28/559249028.db2.gz RSTJVYHCBUUBTE-UHFFFAOYSA-N 0 1 409.298 3.932 50 0 HHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4c(c3)OCCCO4)n2)cc1 ZINC000005178135 559289170 /nfs/dbraw/zinc/28/91/70/559289170.db2.gz OYAQWRJLGFCPOX-UHFFFAOYSA-N 0 1 410.499 3.926 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000005184613 559290561 /nfs/dbraw/zinc/29/05/61/559290561.db2.gz MXGMTJYEXGFVJF-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000005198248 559292165 /nfs/dbraw/zinc/29/21/65/559292165.db2.gz CPYFZZIMSMFEPX-LEWJYISDSA-N 0 1 400.409 3.887 50 0 HHAAMN COc1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)nn1 ZINC000005204205 560538499 /nfs/dbraw/zinc/53/84/99/560538499.db2.gz PCTZJRMWFYMLHB-UHFFFAOYSA-N 0 1 409.389 3.972 50 0 HHAAMN Cc1n[nH]c(CCCNC(=O)c2ccc(-c3cccc(Br)c3)nc2C)n1 ZINC000078994844 560540856 /nfs/dbraw/zinc/54/08/56/560540856.db2.gz WYUTZMDPADULQN-UHFFFAOYSA-N 0 1 414.307 3.609 50 0 HHAAMN Cc1[nH]c(SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)nc1Cc1ccccc1 ZINC000005312635 560564192 /nfs/dbraw/zinc/56/41/92/560564192.db2.gz STZBHZRFMOCTRD-YOEHRIQHSA-N 0 1 400.548 3.806 50 0 HHAAMN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)N1CCCCC1 ZINC000015953598 560650456 /nfs/dbraw/zinc/65/04/56/560650456.db2.gz QIDPWIKJFMARTD-FGCOXFRFSA-N 0 1 400.563 3.766 50 0 biogenic HHAAMN COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1cccc(Cl)c1)=N2 ZINC000005661238 560732789 /nfs/dbraw/zinc/73/27/89/560732789.db2.gz LTQPFLXBQBNYOU-UHFFFAOYSA-N 0 1 401.875 3.881 50 0 HHAAMN O=C1NC2(CCN(Cc3ccccc3F)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000011694016 560773837 /nfs/dbraw/zinc/77/38/37/560773837.db2.gz HEYLVWQPHCBXIX-UHFFFAOYSA-N 0 1 401.869 3.566 50 0 HHAAMN CC(C)[C@@H](NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1)c1cccs1 ZINC000101791593 560801360 /nfs/dbraw/zinc/80/13/60/560801360.db2.gz YPOFNKGTKQCZPF-GOSISDBHSA-N 0 1 407.561 3.731 50 0 HHAAMN COc1ccc(C2=C3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 ZINC000103514537 560842792 /nfs/dbraw/zinc/84/27/92/560842792.db2.gz RRVQBSIBMVQEEV-UNMCSNQZSA-N 0 1 415.424 3.617 50 0 HHAAMN COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3N(c3ccccc3)N2)cc1 ZINC000103514788 560842814 /nfs/dbraw/zinc/84/28/14/560842814.db2.gz VMSPJWIOVOTBEH-RBBKRZOGSA-N 0 1 415.424 3.617 50 0 HHAAMN CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1 ZINC000085690460 560853089 /nfs/dbraw/zinc/85/30/89/560853089.db2.gz ULOINOYFRMLSRG-GOSISDBHSA-N 0 1 403.486 3.525 50 0 HHAAMN O=C(CCNC(=O)c1ccoc1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000047278382 560886075 /nfs/dbraw/zinc/88/60/75/560886075.db2.gz MEXVYNPXJSZNFQ-UHFFFAOYSA-N 0 1 406.417 3.644 50 0 HHAAMN CCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@H](c2ccco2)N(CC)CC)s1 ZINC000107501924 560896494 /nfs/dbraw/zinc/89/64/94/560896494.db2.gz PYZLSYXOQDDPCN-IAGOWNOFSA-N 0 1 406.596 3.799 50 0 HHAAMN CC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045500855 568419618 /nfs/dbraw/zinc/41/96/18/568419618.db2.gz BGLGFUBAQIHDFH-UHFFFAOYSA-N 0 1 400.906 3.702 50 0 HHAAMN CSc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000046017300 568423706 /nfs/dbraw/zinc/42/37/06/568423706.db2.gz GGOOVLVCLXXSQP-INIZCTEOSA-N 0 1 421.526 3.685 50 0 HHAAMN CCN1CCN(c2ccc(CNC(=O)c3cc4cc(Cl)ccc4nc3C)cn2)CC1 ZINC000048287796 568434703 /nfs/dbraw/zinc/43/47/03/568434703.db2.gz UAKFAXYEQOOYIE-UHFFFAOYSA-N 0 1 423.948 3.664 50 0 HHAAMN CN1CCN(c2ccccc2NC(=O)CSCc2coc(-c3ccccc3)n2)CC1 ZINC000048363170 568441751 /nfs/dbraw/zinc/44/17/51/568441751.db2.gz VSAQFCAXMIQEDF-UHFFFAOYSA-N 0 1 422.554 3.965 50 0 HHAAMN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCN(C(C)C)CC4)C3)nn2)cc1C ZINC000048990553 568444308 /nfs/dbraw/zinc/44/43/08/568444308.db2.gz HEABEBKFEMRMHT-JOCHJYFZSA-N 0 1 421.589 3.529 50 0 HHAAMN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccs4)CC3)n[nH]2)cc1 ZINC000049406680 568449082 /nfs/dbraw/zinc/44/90/82/568449082.db2.gz ATZRUFJLFCAXLY-UHFFFAOYSA-N 0 1 424.526 3.572 50 0 HHAAMN CC(C)[C@@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012328499 568472121 /nfs/dbraw/zinc/47/21/21/568472121.db2.gz GATPCLBCTFRLKD-WMZHIEFXSA-N 0 1 411.521 3.990 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCc3ccc(F)cc3)cc12 ZINC000020153731 568590873 /nfs/dbraw/zinc/59/08/73/568590873.db2.gz WYDHTZJFRZVUFZ-UHFFFAOYSA-N 0 1 423.561 3.921 50 0 HHAAMN CCOC(=O)C1C(CN(C)c2ccc(F)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214174 568594746 /nfs/dbraw/zinc/59/47/46/568594746.db2.gz BVZUTUKOMYXWOV-IBGZPJMESA-N 0 1 417.868 3.787 50 0 HHAAMN c1cc(-c2nc3ccccc3c(NC[C@H]([C@H]3CCOC3)N3CCOCC3)n2)cs1 ZINC000040051254 568613032 /nfs/dbraw/zinc/61/30/32/568613032.db2.gz GGGAUBKPRTWGFG-OXJNMPFZSA-N 0 1 410.543 3.508 50 0 HHAAMN O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)Nc1cccc(C(F)(F)F)c1 ZINC000020618529 568638309 /nfs/dbraw/zinc/63/83/09/568638309.db2.gz YTQPLWZVZLZBGO-UHFFFAOYSA-N 0 1 415.418 3.548 50 0 HHAAMN CCC(=O)Nc1ccc2c(c1)nc(CN1CCN(Cc3ccccc3)CC1)n2CC ZINC000020678091 568640079 /nfs/dbraw/zinc/64/00/79/568640079.db2.gz WDCKHGGKNZRERB-UHFFFAOYSA-N 0 1 405.546 3.723 50 0 HHAAMN O[C@H](COc1ccccc1F)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095863094 568655280 /nfs/dbraw/zinc/65/52/80/568655280.db2.gz XJIBMMURJVSHGC-QHCPKHFHSA-N 0 1 420.528 3.973 50 0 HHAAMN CC(=O)OCCc1cccc(NS(=O)(=O)c2cccc(C)c2Br)c1 ZINC000096011290 568684072 /nfs/dbraw/zinc/68/40/72/568684072.db2.gz QBXVIKNRQXUBST-UHFFFAOYSA-N 0 1 412.305 3.664 50 0 HHAAMN O=S(=O)(NCCn1nc(-c2cccs2)cc1C1CC1)c1c(F)cccc1F ZINC000096121620 568699757 /nfs/dbraw/zinc/69/97/57/568699757.db2.gz JQDAOUCBVZUNPS-UHFFFAOYSA-N 0 1 409.483 3.746 50 0 HHAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000005782428 568718726 /nfs/dbraw/zinc/71/87/26/568718726.db2.gz AVMYWSYJUYRMHQ-IBGZPJMESA-N 0 1 416.861 3.950 50 0 HHAAMN CCc1cc2c(ncnc2NCCCN2CCN(c3ccccc3OC)CC2)s1 ZINC000021651671 568729484 /nfs/dbraw/zinc/72/94/84/568729484.db2.gz ZLRMOOTXBXVZAU-UHFFFAOYSA-N 0 1 411.575 3.887 50 0 HHAAMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000241135445 568730821 /nfs/dbraw/zinc/73/08/21/568730821.db2.gz JPJIURBMNNBYJB-IRLDBZIGSA-N 0 1 412.555 3.830 50 0 HHAAMN COc1ccc(NC(=O)c2cccc3[nH]cc(CN4CCSCC4)c32)cc1OC ZINC000096363697 568739506 /nfs/dbraw/zinc/73/95/06/568739506.db2.gz IJWHKTJDMSVWAC-UHFFFAOYSA-N 0 1 411.527 3.986 50 0 HHAAMN CCOc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)cc1 ZINC000096379840 568741685 /nfs/dbraw/zinc/74/16/85/568741685.db2.gz QCYYYZABIVEMAM-UHFFFAOYSA-N 0 1 402.476 3.758 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)n[nH]2)c(C)c1 ZINC000096400021 568749195 /nfs/dbraw/zinc/74/91/95/568749195.db2.gz GPLXPLVLWOUFGO-UHFFFAOYSA-N 0 1 420.488 3.867 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000002619809 568787048 /nfs/dbraw/zinc/78/70/48/568787048.db2.gz HDWWZKWKYCJDNM-UHFFFAOYSA-N 0 1 418.862 3.593 50 0 HHAAMN CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002655654 568797666 /nfs/dbraw/zinc/79/76/66/568797666.db2.gz IMDLDGDMEZFVQU-SFHVURJKSA-N 0 1 403.320 3.831 50 0 HHAAMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000057412564 568833157 /nfs/dbraw/zinc/83/31/57/568833157.db2.gz DJTIROYFGDXXRT-UHFFFAOYSA-N 0 1 413.817 3.556 50 0 HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)cc1 ZINC000006024014 568835555 /nfs/dbraw/zinc/83/55/55/568835555.db2.gz UOHRJXCLURGJIZ-UHFFFAOYSA-N 0 1 404.875 3.972 50 0 HHAAMN CCC(=O)Nc1ccc(N(CC)CC)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000012583551 568865632 /nfs/dbraw/zinc/86/56/32/568865632.db2.gz DFMRLGUAHMXZBO-UHFFFAOYSA-N 0 1 405.520 3.691 50 0 HHAAMN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617545 568872116 /nfs/dbraw/zinc/87/21/16/568872116.db2.gz YBMMTGPAAXNDSS-NVXWUHKLSA-N 0 1 423.538 3.909 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000057992185 568873037 /nfs/dbraw/zinc/87/30/37/568873037.db2.gz XELZJZRNKWSHBN-PGKMIFDNSA-N 0 1 411.889 3.619 50 0 biogenic HHAAMN COCCn1ccc2c1cccc2OCC(=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000263588397 568883920 /nfs/dbraw/zinc/88/39/20/568883920.db2.gz SYRBICCNKSPEFQ-UHFFFAOYSA-N 0 1 411.506 3.546 50 0 HHAAMN COCCn1ccc2c1cccc2OCC(=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000263588397 568883921 /nfs/dbraw/zinc/88/39/21/568883921.db2.gz SYRBICCNKSPEFQ-UHFFFAOYSA-N 0 1 411.506 3.546 50 0 HHAAMN CCC[C@@H](CNC(=O)CSc1nc(N)cc(N)n1)c1ccc(Cl)cc1Cl ZINC000031353912 568924768 /nfs/dbraw/zinc/92/47/68/568924768.db2.gz SQSIXLCPNGGFQE-JTQLQIEISA-N 0 1 414.362 3.740 50 0 HHAAMN Cc1nc(-c2ccc(S(=O)(=O)NCc3n[nH]c4c3CCCCC4)s2)cs1 ZINC000670451362 568926351 /nfs/dbraw/zinc/92/63/51/568926351.db2.gz OBIHOJSCLSTUIG-UHFFFAOYSA-N 0 1 408.574 3.651 50 0 HHAAMN C[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000084651524 568954659 /nfs/dbraw/zinc/95/46/59/568954659.db2.gz SAMVUGKOZGDOOP-CQSZACIVSA-N 0 1 406.523 3.816 50 0 HHAAMN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C ZINC000015669331 568960959 /nfs/dbraw/zinc/96/09/59/568960959.db2.gz RJVZNFCAURSKRH-UHFFFAOYSA-N 0 1 419.890 3.517 50 0 HHAAMN COc1ccc(CN2CCCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 ZINC000012819244 568990913 /nfs/dbraw/zinc/99/09/13/568990913.db2.gz AWBUTQZZXZJJSH-UHFFFAOYSA-N 0 1 409.555 3.972 50 0 HHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008346070 568994646 /nfs/dbraw/zinc/99/46/46/568994646.db2.gz VQHPIFOBUHLRMD-QFIPXVFZSA-N 0 1 415.497 3.640 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000008374040 568995758 /nfs/dbraw/zinc/99/57/58/568995758.db2.gz OJIQGJGJPCQXSX-SFHVURJKSA-N 0 1 400.837 3.692 50 0 HHAAMN Cc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1 ZINC000085664656 569006612 /nfs/dbraw/zinc/00/66/12/569006612.db2.gz JTXVEUDMRHAWTG-UHFFFAOYSA-N 0 1 401.435 3.944 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c(C)c1C ZINC000104328268 569008352 /nfs/dbraw/zinc/00/83/52/569008352.db2.gz PESUMELBLDGGOS-JOCHJYFZSA-N 0 1 404.501 3.659 50 0 HHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000012852397 569010515 /nfs/dbraw/zinc/01/05/15/569010515.db2.gz UKPFGDZDELWCNJ-UHFFFAOYSA-N 0 1 421.394 3.881 50 0 HHAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C=C(C)C)ccc2OC)cc1 ZINC000015897629 569020304 /nfs/dbraw/zinc/02/03/04/569020304.db2.gz DLQYNJRSDVLXLM-UHFFFAOYSA-N 0 1 404.488 3.799 50 0 HHAAMN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 ZINC000006230599 569033698 /nfs/dbraw/zinc/03/36/98/569033698.db2.gz IYKRYPCAWRTXRE-VJTSUQJLSA-N 0 1 408.542 3.680 50 0 biogenic HHAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3noc(CC)n3)sc2C)cc1 ZINC000035539290 569043701 /nfs/dbraw/zinc/04/37/01/569043701.db2.gz GQQZAEWVCCLFKK-UHFFFAOYSA-N 0 1 421.500 3.646 50 0 HHAAMN Cc1cc2oc(-c3ccc4c(c3)OCCO4)c(-c3c(O)cc(C)oc3=O)c2c(=O)o1 ZINC000524729702 569051710 /nfs/dbraw/zinc/05/17/10/569051710.db2.gz FJWPVNSNKLCHPP-UHFFFAOYSA-N 0 1 408.362 3.767 50 0 HHAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(F)cc4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000239038577 569053950 /nfs/dbraw/zinc/05/39/50/569053950.db2.gz DMTLHMBJHHIBLA-BDTNDASRSA-N 0 1 418.424 3.885 50 0 HHAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239164966 569054016 /nfs/dbraw/zinc/05/40/16/569054016.db2.gz NFRIQTUVSBIGGV-FKBYEOEOSA-N 0 1 400.434 3.746 50 0 HHAAMN CCCCN1C(=O)NC(=Cc2c(Cc3cccs3)[nH]n(-c3ccccc3)c2=O)C1=O ZINC000016534170 569058435 /nfs/dbraw/zinc/05/84/35/569058435.db2.gz KMQSZOSWJMMFFI-RGEXLXHISA-N 0 1 422.510 3.923 50 0 HHAAMN CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2([O-])C(F)(F)F ZINC000036056959 569084518 /nfs/dbraw/zinc/08/45/18/569084518.db2.gz OSUFIZIKVFXQCL-KEMUVXCRSA-N 0 1 406.499 3.667 50 0 HHAAMN CC(C)COC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145906 569098451 /nfs/dbraw/zinc/09/84/51/569098451.db2.gz SUEWZKUMSAHMSS-PKTZIBPZSA-N 0 1 414.521 3.854 50 0 HHAAMN Cc1ccc(C)c(N2CCN(C(=O)C3=CCN(Cc4cccc(F)c4)CC3)CC2)c1 ZINC000064818077 569101144 /nfs/dbraw/zinc/10/11/44/569101144.db2.gz ZHBCIEISVHKKTC-UHFFFAOYSA-N 0 1 407.533 3.923 50 0 HHAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000006752784 569111305 /nfs/dbraw/zinc/11/13/05/569111305.db2.gz NLZQNXVZBSBRCQ-QFIPXVFZSA-N 0 1 417.421 3.835 50 0 HHAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1 ZINC000006752811 569111379 /nfs/dbraw/zinc/11/13/79/569111379.db2.gz DHGGAJFZXJZASY-QFIPXVFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000036345036 569142992 /nfs/dbraw/zinc/14/29/92/569142992.db2.gz UAVQYXKOEWDGCU-HSZRJFAPSA-N 0 1 424.976 3.964 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000036345035 569143049 /nfs/dbraw/zinc/14/30/49/569143049.db2.gz UAVQYXKOEWDGCU-QHCPKHFHSA-N 0 1 424.976 3.964 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)Nc2cc(C)ccc2C)c(C)n1C ZINC000065194171 569192708 /nfs/dbraw/zinc/19/27/08/569192708.db2.gz AWHKIWNEEXJYIQ-UHFFFAOYSA-N 0 1 400.504 3.987 50 0 HHAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(Cl)c1 ZINC000007421500 569237634 /nfs/dbraw/zinc/23/76/34/569237634.db2.gz YYKPPSKAWRAYNX-UHFFFAOYSA-N 0 1 402.785 3.740 50 0 HHAAMN CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1 ZINC000007505395 569243507 /nfs/dbraw/zinc/24/35/07/569243507.db2.gz BBTLHODROMJJCV-UHFFFAOYSA-N 0 1 419.421 3.930 50 0 HHAAMN C[C@@H](N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000027134660 569281266 /nfs/dbraw/zinc/28/12/66/569281266.db2.gz ONODVVVYOOLERA-OAHLLOKOSA-N 0 1 411.502 3.973 50 0 HHAAMN C[C@H](N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000027134665 569281283 /nfs/dbraw/zinc/28/12/83/569281283.db2.gz ONODVVVYOOLERA-HNNXBMFYSA-N 0 1 411.502 3.973 50 0 HHAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)c(F)c1 ZINC000007729058 569303511 /nfs/dbraw/zinc/30/35/11/569303511.db2.gz KZAJLCKCEVNWEL-UHFFFAOYSA-N 0 1 403.332 3.970 50 0 HHAAMN C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000253419149 569367723 /nfs/dbraw/zinc/36/77/23/569367723.db2.gz JZFSZIXWHHXPHF-UGSOOPFHSA-N 0 1 403.408 3.920 50 0 HHAAMN COc1cccc(/C=C2\NC(=O)NC2=O)c1OCCCOc1ccc(Cl)c(C)c1 ZINC000027552203 569372802 /nfs/dbraw/zinc/37/28/02/569372802.db2.gz KWNVOOHIUYRLNO-ATVHPVEESA-N 0 1 416.861 3.685 50 0 HHAAMN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000002400821 569395454 /nfs/dbraw/zinc/39/54/54/569395454.db2.gz TZLDURNTYGKLSN-OAQYLSRUSA-N 0 1 406.482 3.689 50 0 HHAAMN Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(-c2nnc(C3CC3)[nH]2)c1 ZINC000040150964 571199035 /nfs/dbraw/zinc/19/90/35/571199035.db2.gz RINYHKQGRTUYGK-UHFFFAOYSA-N 0 1 409.515 3.868 50 0 HHAAMN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccccc2Oc2ccccc2)C1=O ZINC000009579114 571270152 /nfs/dbraw/zinc/27/01/52/571270152.db2.gz IZUHMYCVGIUTJI-HSZRJFAPSA-N 0 1 401.422 3.591 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1C ZINC000009684931 571279586 /nfs/dbraw/zinc/27/95/86/571279586.db2.gz GAXZIKICGOURJW-UHFFFAOYSA-N 0 1 409.939 3.722 50 0 HHAAMN Cc1nc(C)c(CN2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)nc1C ZINC000011820120 962199818 /nfs/dbraw/zinc/19/98/18/962199818.db2.gz YDEAGFNIGFKKBC-IBGZPJMESA-N 0 1 404.518 3.643 50 0 HHAAMN CSc1ncc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934584 962210023 /nfs/dbraw/zinc/21/00/23/962210023.db2.gz JGLIOQGDZYNWDO-OAQYLSRUSA-N 0 1 404.530 3.965 50 0 HHAAMN CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccoc1)CC2 ZINC000014752049 962567663 /nfs/dbraw/zinc/56/76/63/962567663.db2.gz OCUPDQPFYTVUBB-UHFFFAOYSA-N 0 1 421.541 3.702 50 0 HHAAMN O=C(/C=C/c1ccncc1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055054470 965746369 /nfs/dbraw/zinc/74/63/69/965746369.db2.gz BBXYBEHOABOWPP-XYXUZSOXSA-N 0 1 410.949 3.561 50 0 HHAAMN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCCN2C)C3)s1 ZINC000039354997 966492382 /nfs/dbraw/zinc/49/23/82/966492382.db2.gz YDVFMXIQRPAVIG-AEFFLSMTSA-N 0 1 416.518 3.661 50 0 HHAAMN C[C@@H](c1ccon1)N(C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000042628379 966813386 /nfs/dbraw/zinc/81/33/86/966813386.db2.gz YOHOSSXKWIEJSP-DZGCQCFKSA-N 0 1 405.882 3.631 50 0 HHAAMN CN1CCN(c2ccc(Br)cc2NC(=O)/C=C\c2ccccc2F)CC1 ZINC000096859097 969052854 /nfs/dbraw/zinc/05/28/54/969052854.db2.gz KNANHQHOYLNBDZ-TWGQIWQCSA-N 0 1 418.310 3.992 50 0 HHAAMN CCOc1cc(/C=C\C(=O)Nc2ccccc2N2CCN(CC)CC2)ccc1OC ZINC000097994562 969182901 /nfs/dbraw/zinc/18/29/01/969182901.db2.gz LZDLMANBVUCURT-QBFSEMIESA-N 0 1 409.530 3.888 50 0 HHAAMN O=C(CC(F)(F)F)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 ZINC000169748705 1075688550 /nfs/dbraw/zinc/68/85/50/1075688550.db2.gz QLSUSFLBYWDMAH-UHFFFAOYSA-N 0 1 404.432 3.918 50 0 HHAAMN COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 ZINC000006623514 132312183 /nfs/dbraw/zinc/31/21/83/132312183.db2.gz XQCLRECQFASSCQ-UHFFFAOYSA-N 0 1 417.937 3.898 50 0 HHAAMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000007224757 132322984 /nfs/dbraw/zinc/32/29/84/132322984.db2.gz LYEIGIGFCCLQFD-FQEVSTJZSA-N 0 1 407.558 3.805 50 0 HHAAMN CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1N1CCN(C)CC1 ZINC000011999131 132352807 /nfs/dbraw/zinc/35/28/07/132352807.db2.gz LDSDPBSLJYIKIG-UHFFFAOYSA-N 0 1 406.555 3.834 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2)CC1 ZINC000012536470 132362154 /nfs/dbraw/zinc/36/21/54/132362154.db2.gz XYJDXXFSLVDHPV-UHFFFAOYSA-N 0 1 401.514 3.754 50 0 HHAAMN CC(=O)N1CCC(N2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000020586787 519512413 /nfs/dbraw/zinc/51/24/13/519512413.db2.gz LJYRHOWTJXDMTI-QFIPXVFZSA-N 0 1 422.529 3.678 50 0 HHAAMN CC(C)NC(=O)CC1(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000032904302 519701010 /nfs/dbraw/zinc/70/10/10/519701010.db2.gz PIYOSDHABMLJFJ-UHFFFAOYSA-N 0 1 419.997 3.896 50 0 HHAAMN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560302 520509371 /nfs/dbraw/zinc/50/93/71/520509371.db2.gz LCXOXZIDTMJDEH-QFIPXVFZSA-N 0 1 407.514 3.688 50 0 HHAAMN COc1c(C)cc(S(=O)(=O)NCC2CCN(Cc3ccsc3)CC2)cc1C ZINC000043953975 521799602 /nfs/dbraw/zinc/79/96/02/521799602.db2.gz KHQOXCAAWQZMAF-UHFFFAOYSA-N 0 1 408.589 3.564 50 0 HHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)c1 ZINC000040266300 521986238 /nfs/dbraw/zinc/98/62/38/521986238.db2.gz JBGQXQLSHDXLRS-FQEVSTJZSA-N 0 1 408.433 3.823 50 0 HHAAMN COc1cc(CN(C)C(=O)c2ccc3[nH]nnc3c2)ccc1OCc1ccccc1 ZINC000032722419 522346624 /nfs/dbraw/zinc/34/66/24/522346624.db2.gz WQKHKAYWFYMBED-UHFFFAOYSA-N 0 1 402.454 3.818 50 0 HHAAMN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598580 524562611 /nfs/dbraw/zinc/56/26/11/524562611.db2.gz WMLJKHBEZNJQJG-NRFANRHFSA-N 0 1 413.537 3.630 50 0 HHAAMN Cc1cc(CN2CCC(CNS(=O)(=O)Cc3ccccc3Cl)CC2)c(C)o1 ZINC000043954262 524672897 /nfs/dbraw/zinc/67/28/97/524672897.db2.gz VIXCBIBYUMBKGM-UHFFFAOYSA-N 0 1 410.967 3.881 50 0 HHAAMN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000032873761 525254351 /nfs/dbraw/zinc/25/43/51/525254351.db2.gz WOZKEAJRAMDIOZ-QGZVFWFLSA-N 0 1 409.511 3.906 50 0 HHAAMN C[S@@](=O)Cc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000032865828 525371552 /nfs/dbraw/zinc/37/15/52/525371552.db2.gz QVYCPCATGPZXGB-MHZLTWQESA-N 0 1 404.963 3.613 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)CCCc3ccc(Br)s3)cn2)CC1 ZINC000012777607 536422297 /nfs/dbraw/zinc/42/22/97/536422297.db2.gz UOLNWEFPSNZQNZ-UHFFFAOYSA-N 0 1 423.380 3.619 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000008388953 536422844 /nfs/dbraw/zinc/42/28/44/536422844.db2.gz LRVRNDRODFJOTA-UHFFFAOYSA-N 0 1 405.542 3.919 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000647162 557037089 /nfs/dbraw/zinc/03/70/89/557037089.db2.gz JAOFMRIOTOHYNO-UHFFFAOYSA-N 0 1 409.467 3.698 50 0 HHAAMN Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000908239 557115610 /nfs/dbraw/zinc/11/56/10/557115610.db2.gz QYZOSGAAQXZUPP-UHFFFAOYSA-N 0 1 408.439 3.584 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)n1 ZINC000001033571 557148657 /nfs/dbraw/zinc/14/86/57/557148657.db2.gz AJDGUCSDDMRCBM-UHFFFAOYSA-N 0 1 415.450 3.677 50 0 HHAAMN CC(=O)C(Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N(C)C ZINC000001083204 557175991 /nfs/dbraw/zinc/17/59/91/557175991.db2.gz BASVVPNJDQEIKA-QGZVFWFLSA-N 0 1 414.918 3.726 50 0 HHAAMN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1OC ZINC000001169040 557222749 /nfs/dbraw/zinc/22/27/49/557222749.db2.gz LRLRSYQTSICKAK-GOSISDBHSA-N 0 1 416.861 3.686 50 0 HHAAMN O=C(Nc1ccc(N2CCCN(Cc3cccnc3)CC2)nc1)c1ccccc1F ZINC000034681729 557383406 /nfs/dbraw/zinc/38/34/06/557383406.db2.gz ZWRCZVVQEZHUAF-UHFFFAOYSA-N 0 1 405.477 3.580 50 0 HHAAMN COc1ccc(C(=O)Nc2c(C3CC3)n[nH]c2-c2ccc3c(c2)OCO3)cc1OC ZINC000034794579 557470738 /nfs/dbraw/zinc/47/07/38/557470738.db2.gz OEIICDHDGGVVLJ-UHFFFAOYSA-N 0 1 407.426 3.952 50 0 HHAAMN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000004337784 557543683 /nfs/dbraw/zinc/54/36/83/557543683.db2.gz KEHYODJCAYVNGX-IBGZPJMESA-N 0 1 412.873 3.562 50 0 HHAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2cccnc2)cc1 ZINC000006745081 557718844 /nfs/dbraw/zinc/71/88/44/557718844.db2.gz QJYDHTIGPRKTTN-NRFANRHFSA-N 0 1 414.421 3.991 50 0 HHAAMN O[C@@H](COc1ccccc1F)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022860803 557843374 /nfs/dbraw/zinc/84/33/74/557843374.db2.gz XJIBMMURJVSHGC-HSZRJFAPSA-N 0 1 420.528 3.973 50 0 HHAAMN COCC1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1 ZINC000011873556 558291445 /nfs/dbraw/zinc/29/14/45/558291445.db2.gz UCWHIOKPHBQJBD-UHFFFAOYSA-N 0 1 423.557 3.624 50 0 HHAAMN O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCCCn1cccn1 ZINC000019850650 558295417 /nfs/dbraw/zinc/29/54/17/558295417.db2.gz HBUSOKPCXOUCMY-QHCPKHFHSA-N 0 1 422.504 3.555 50 0 HHAAMN CC(C)(C)c1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019943527 558314265 /nfs/dbraw/zinc/31/42/65/558314265.db2.gz GOVZEQOIHITGCD-UHFFFAOYSA-N 0 1 402.542 3.979 50 0 HHAAMN c1ccc(Cn2nnnc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020140922 558338869 /nfs/dbraw/zinc/33/88/69/558338869.db2.gz QPMPFBAGBYNFQI-UHFFFAOYSA-N 0 1 424.552 3.629 50 0 HHAAMN CCOc1ccc(CN2CCN(C/C=C/c3ccccc3OC)C[C@@H]2CCO)cc1 ZINC000020201564 558345564 /nfs/dbraw/zinc/34/55/64/558345564.db2.gz LNDUVYGXYZIAIR-DRGXBFSJSA-N 0 1 410.558 3.676 50 0 HHAAMN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1CCCn1cccn1 ZINC000012309036 558377163 /nfs/dbraw/zinc/37/71/63/558377163.db2.gz KTTFAFBFVSWVCQ-JOCHJYFZSA-N 0 1 405.502 3.954 50 0 HHAAMN CCOc1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000020725777 558404612 /nfs/dbraw/zinc/40/46/12/558404612.db2.gz QFTVFIBGLOFGIN-INIZCTEOSA-N 0 1 411.849 3.519 50 0 HHAAMN Cc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N3)cc1 ZINC000020746092 558411282 /nfs/dbraw/zinc/41/12/82/558411282.db2.gz NUSVBWDTAQAQPJ-HNNXBMFYSA-N 0 1 415.375 3.794 50 0 HHAAMN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccccn2)CC1 ZINC000012448072 558415260 /nfs/dbraw/zinc/41/52/60/558415260.db2.gz SKNIEGSJYHXKJK-UHFFFAOYSA-N 0 1 406.490 3.768 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 ZINC000012612209 558438759 /nfs/dbraw/zinc/43/87/59/558438759.db2.gz ZAJVSQQCVRSNIM-IBGZPJMESA-N 0 1 402.432 3.991 50 0 HHAAMN CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1 ZINC000012630705 558441883 /nfs/dbraw/zinc/44/18/83/558441883.db2.gz PJILZEYRHHWWSN-LJQANCHMSA-N 0 1 410.499 3.800 50 0 HHAAMN CCc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000004356017 558443458 /nfs/dbraw/zinc/44/34/58/558443458.db2.gz XHZVRIOFZPYNLZ-NDENLUEZSA-N 0 1 420.444 3.681 50 0 HHAAMN Cc1ccc2c(C)c(CCC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c(=O)oc2c1 ZINC000012942023 558487144 /nfs/dbraw/zinc/48/71/44/558487144.db2.gz YYWCKDUKODHDPS-NRFANRHFSA-N 0 1 410.489 3.901 50 0 HHAAMN C[C@@H](NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995943 558498568 /nfs/dbraw/zinc/49/85/68/558498568.db2.gz HSGYQRONQBZKBM-JPYJTQIMSA-N 0 1 422.550 3.711 50 0 HHAAMN CN1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860255 558517512 /nfs/dbraw/zinc/51/75/12/558517512.db2.gz UQZPLFLUUGHBOA-HXUWFJFHSA-N 0 1 409.357 3.708 50 0 HHAAMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 ZINC000022916476 558521642 /nfs/dbraw/zinc/52/16/42/558521642.db2.gz XPRMUYGWWQHZIE-QGZVFWFLSA-N 0 1 416.363 3.636 50 0 HHAAMN Cc1ccc(NC(=O)CN2CCN(CCc3ccccc3)CC2)cc1Br ZINC000022934204 558525814 /nfs/dbraw/zinc/52/58/14/558525814.db2.gz FJBKBKNVPVVROF-UHFFFAOYSA-N 0 1 416.363 3.556 50 0 HHAAMN CCCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000027663577 558678813 /nfs/dbraw/zinc/67/88/13/558678813.db2.gz JVAMFQHZLZTQAS-QFIPXVFZSA-N 0 1 415.965 3.847 50 0 HHAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1 ZINC000014965980 558685562 /nfs/dbraw/zinc/68/55/62/558685562.db2.gz PMZQKBGBASDNNY-UHFFFAOYSA-N 0 1 408.951 3.821 50 0 HHAAMN O=C(NCc1ccccc1)c1cccc(OC2CCN(Cc3ccc(CO)o3)CC2)c1 ZINC000014975846 558689305 /nfs/dbraw/zinc/68/93/05/558689305.db2.gz SHMXVHWUDCCCLS-UHFFFAOYSA-N 0 1 420.509 3.745 50 0 HHAAMN Cn1c(SCc2ccncc2)nnc1C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014993953 558695605 /nfs/dbraw/zinc/69/56/05/558695605.db2.gz YOSGWZWOSVOWSV-UHFFFAOYSA-N 0 1 423.542 3.611 50 0 HHAAMN C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cc2NC1=O ZINC000028810689 558705113 /nfs/dbraw/zinc/70/51/13/558705113.db2.gz STJYRXAKZWLBAQ-MRVPVSSYSA-N 0 1 420.796 3.879 50 0 HHAAMN CN(CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCc2ccccc21 ZINC000029489091 558715812 /nfs/dbraw/zinc/71/58/12/558715812.db2.gz AIVOITKOGGOEDC-QGZVFWFLSA-N 0 1 417.303 3.778 50 0 HHAAMN COc1cc(C[C@H]2CC(CNCc3cccc(Cl)c3)=NO2)c(OC)c2c1OCO2 ZINC000015081369 558718968 /nfs/dbraw/zinc/71/89/68/558718968.db2.gz VMMKYXAPKKMPHY-KRWDZBQOSA-N 0 1 418.877 3.563 50 0 HHAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000004556308 558725509 /nfs/dbraw/zinc/72/55/09/558725509.db2.gz RPMKWVKRDFMHHW-GOSISDBHSA-N 0 1 403.504 3.581 50 0 HHAAMN Cc1[nH]ncc1CN(CC(=O)NCCCO[C@H](C)c1ccccc1)c1ccc(O)cc1 ZINC000072308475 558769347 /nfs/dbraw/zinc/76/93/47/558769347.db2.gz OFJLGMMSJAVSDH-LJQANCHMSA-N 0 1 422.529 3.714 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1 ZINC000033013390 558832826 /nfs/dbraw/zinc/83/28/26/558832826.db2.gz JANGBALUVUCPNN-UHFFFAOYSA-N 0 1 417.487 3.852 50 0 HHAAMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2)CC1 ZINC000018249900 558834574 /nfs/dbraw/zinc/83/45/74/558834574.db2.gz MWTQRFKCQTUQAY-UHFFFAOYSA-N 0 1 413.934 3.566 50 0 HHAAMN COC(=O)c1ccc([C@H]2c3c(C)[nH]nc3C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000013571708 558844654 /nfs/dbraw/zinc/84/46/54/558844654.db2.gz JEFGGIFRQAMUMX-QFIPXVFZSA-N 0 1 414.465 3.774 50 0 HHAAMN CNc1cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)ccn1 ZINC000019144015 558846582 /nfs/dbraw/zinc/84/65/82/558846582.db2.gz WJTQUCSPFNXIQS-JOCHJYFZSA-N 0 1 400.473 3.530 50 0 HHAAMN CCc1oc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)cc1CN1CCCC1 ZINC000055053177 558870855 /nfs/dbraw/zinc/87/08/55/558870855.db2.gz POPNQHMSDHAKND-UHFFFAOYSA-N 0 1 416.566 3.560 50 0 HHAAMN CC(C)OCCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000004657966 558872180 /nfs/dbraw/zinc/87/21/80/558872180.db2.gz IDDQBPGGJCAVRJ-UHFFFAOYSA-N 0 1 417.575 3.797 50 0 HHAAMN CC(=O)N1CCCc2cc(NC(=O)c3ccc(CN4CCSCC4)cc3)ccc21 ZINC000071792348 558912194 /nfs/dbraw/zinc/91/21/94/558912194.db2.gz FRWIIHMEHVRBGQ-UHFFFAOYSA-N 0 1 409.555 3.787 50 0 HHAAMN CC[C@@H]1CCCC[N@H+]1CCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S ZINC000004627686 558924895 /nfs/dbraw/zinc/92/48/95/558924895.db2.gz XBZZGZJGFIYQNO-QGZVFWFLSA-N 0 1 416.591 3.550 50 0 HHAAMN CSc1cccc(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c1 ZINC000072139301 558928966 /nfs/dbraw/zinc/92/89/66/558928966.db2.gz BOTGZTROBGYZJF-UHFFFAOYSA-N 0 1 400.552 3.731 50 0 HHAAMN Cc1ccc(CN(CCC(=O)N2CCNCC2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000065314929 558970907 /nfs/dbraw/zinc/97/09/07/558970907.db2.gz YCPBAIKISQKUKP-UHFFFAOYSA-N 0 1 421.585 3.757 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(N2CCCCC2)n1 ZINC000065364416 558975581 /nfs/dbraw/zinc/97/55/81/558975581.db2.gz GSSPHWSDWJHREL-UHFFFAOYSA-N 0 1 414.941 3.783 50 0 HHAAMN CCNc1cc(C)nc(N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)n1 ZINC000067602200 558987875 /nfs/dbraw/zinc/98/78/75/558987875.db2.gz GVUMMLHLOHPZAZ-UHFFFAOYSA-N 0 1 422.558 3.611 50 0 HHAAMN C[C@@H](NCC(=O)Nc1cccc(Br)c1)c1ccc(N2CCOC2=O)cc1 ZINC000097033183 558988169 /nfs/dbraw/zinc/98/81/69/558988169.db2.gz OZHRQBYESYDKJN-CYBMUJFWSA-N 0 1 418.291 3.695 50 0 HHAAMN Cc1cc(C)n2ncc(C(=O)N3CCC(c4[nH]ncc4-c4ccccc4)CC3)c2n1 ZINC000067855904 558993986 /nfs/dbraw/zinc/99/39/86/558993986.db2.gz NDRHINWIWFKTGU-UHFFFAOYSA-N 0 1 400.486 3.756 50 0 HHAAMN O=C(CCc1nc(CSc2nc(-c3ccc(F)cc3)n[nH]2)no1)Nc1ccccc1 ZINC000033270959 559032615 /nfs/dbraw/zinc/03/26/15/559032615.db2.gz LKRZGOXBYDZNIK-UHFFFAOYSA-N 0 1 424.461 3.857 50 0 HHAAMN CSc1cccc(NC(=O)NCCNc2cc(-n3cnc(C)c3C)nc(C)n2)c1 ZINC000082230405 559042778 /nfs/dbraw/zinc/04/27/78/559042778.db2.gz NXPFJPKYKDKWGI-UHFFFAOYSA-N 0 1 411.535 3.543 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000082230698 559042927 /nfs/dbraw/zinc/04/29/27/559042927.db2.gz UGSARONCVGZFPB-UHFFFAOYSA-N 0 1 407.440 3.636 50 0 HHAAMN COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CCN(C)C ZINC000011614658 559114502 /nfs/dbraw/zinc/11/45/02/559114502.db2.gz YDKLJGHHCOCUEO-LJQANCHMSA-N 0 1 412.873 3.562 50 0 HHAAMN CCOC(=O)CCNC(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023330425 559167955 /nfs/dbraw/zinc/16/79/55/559167955.db2.gz OZAYKVBAFJWLAA-UHFFFAOYSA-N 0 1 419.481 3.534 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 ZINC000004884532 559196662 /nfs/dbraw/zinc/19/66/62/559196662.db2.gz WCJIJLGGEBTXNQ-UHFFFAOYSA-N 0 1 418.515 3.584 50 0 HHAAMN COCCNC(=O)CSc1nc(-c2cccc(OC)c2)[nH]c1-c1ccc(F)cc1 ZINC000004927805 559208240 /nfs/dbraw/zinc/20/82/40/559208240.db2.gz MVNKXCKGMPTHDY-UHFFFAOYSA-N 0 1 415.490 3.746 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)Nc4ccccc4)c3=O)c2c1 ZINC000004950967 559215835 /nfs/dbraw/zinc/21/58/35/559215835.db2.gz FEPCZZQUDYCRTL-UHFFFAOYSA-N 0 1 408.483 3.968 50 0 HHAAMN CN(Cc1nccs1)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000011840625 559261530 /nfs/dbraw/zinc/26/15/30/559261530.db2.gz BXUJOENJXXTWIB-QFIPXVFZSA-N 0 1 423.582 3.573 50 0 HHAAMN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2)co1 ZINC000011856608 559262301 /nfs/dbraw/zinc/26/23/01/559262301.db2.gz XSUMBQOCASRTKY-UHFFFAOYSA-N 0 1 418.493 3.613 50 0 HHAAMN CCSc1ncc(Br)c(C(=O)Nc2nonc2-c2ccc(C)cc2)n1 ZINC000011916191 559267221 /nfs/dbraw/zinc/26/72/21/559267221.db2.gz QZOMHEISGTVXHM-UHFFFAOYSA-N 0 1 420.292 3.962 50 0 HHAAMN O=C(c1ccccc1)N1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019626257 560555670 /nfs/dbraw/zinc/55/56/70/560555670.db2.gz RUTWJFHUJLHOGI-NRFANRHFSA-N 0 1 413.521 3.613 50 0 biogenic,in-vitro HHAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cccc(O)c1 ZINC000005343622 560566578 /nfs/dbraw/zinc/56/65/78/560566578.db2.gz XETDOPASQLIBDR-HXUWFJFHSA-N 0 1 413.861 3.641 50 0 HHAAMN Cc1ccc(Nc2nc(N3CCN(c4ccccc4Cl)CC3)nc3nn[nH]c32)cc1 ZINC000062022654 560567368 /nfs/dbraw/zinc/56/73/68/560567368.db2.gz BQWUXWTZBRINBD-UHFFFAOYSA-N 0 1 420.908 3.780 50 0 HHAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000005343385 560568112 /nfs/dbraw/zinc/56/81/12/560568112.db2.gz CBUCGOGCRMCUCJ-ZHRRBRCNSA-N 0 1 405.454 3.515 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NCCc1ccccc1 ZINC000002623098 560586139 /nfs/dbraw/zinc/58/61/39/560586139.db2.gz WEJHRSBLQINUBL-UHFFFAOYSA-N 0 1 417.332 3.685 50 0 HHAAMN Cc1ccc2cc(COC(=O)c3ccccc3NS(C)(=O)=O)c(Cl)nc2c1 ZINC000018263436 560785672 /nfs/dbraw/zinc/78/56/72/560785672.db2.gz IGUWQMQMJKPDNZ-UHFFFAOYSA-N 0 1 404.875 3.925 50 0 HHAAMN C[C@H](NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1)c1ccccc1Cl ZINC000102135021 560808033 /nfs/dbraw/zinc/80/80/33/560808033.db2.gz IGHRZAOGIOTHLL-LBPRGKRZSA-N 0 1 407.923 3.687 50 0 HHAAMN CCn1c2ccc(NS(=O)(=O)c3ccccc3Br)cc2sc1=O ZINC000046017680 568423710 /nfs/dbraw/zinc/42/37/10/568423710.db2.gz RROCXYLNPRUGAQ-UHFFFAOYSA-N 0 1 413.318 3.646 50 0 HHAAMN O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCC[C@@H](COCc2ccccc2)C1 ZINC000049031589 568445881 /nfs/dbraw/zinc/44/58/81/568445881.db2.gz CBTIOAXSIRKDIN-GOSISDBHSA-N 0 1 419.481 3.874 50 0 HHAAMN COc1cc(NC(=O)NC[C@H](c2ccsc2)N2CCCC2)cc(OC)c1OC ZINC000022766941 568499259 /nfs/dbraw/zinc/49/92/59/568499259.db2.gz GYNOXAKPYBCGCF-MRXNPFEDSA-N 0 1 405.520 3.733 50 0 HHAAMN COc1ccccc1NC(=S)N(CCCN1CCN(C)CC1)Cc1cccs1 ZINC000020107827 568588484 /nfs/dbraw/zinc/58/84/84/568588484.db2.gz PFTRCTVHIZLNNG-UHFFFAOYSA-N 0 1 418.632 3.593 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3cccc(N(C)C)c3)cc12 ZINC000020114436 568589458 /nfs/dbraw/zinc/58/94/58/568589458.db2.gz VNTPCXCMCVYOQW-UHFFFAOYSA-N 0 1 403.530 3.613 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000020153759 568590877 /nfs/dbraw/zinc/59/08/77/568590877.db2.gz GOODFGGXVXZAFS-IAGOWNOFSA-N 0 1 411.619 3.970 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N4CCCC[C@H]4C)c3=O)c2c1 ZINC000020330637 568599337 /nfs/dbraw/zinc/59/93/37/568599337.db2.gz IJBMMVQXPWHXNG-CYBMUJFWSA-N 0 1 414.531 3.730 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)N[C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000020330303 568599393 /nfs/dbraw/zinc/59/93/93/568599393.db2.gz VOSWJAMWQKCICG-ZDUSSCGKSA-N 0 1 422.510 3.816 50 0 HHAAMN CCCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[n-]c(=O)c2C1 ZINC000020467812 568610642 /nfs/dbraw/zinc/61/06/42/568610642.db2.gz JLHFHSPNPGDYAV-UHFFFAOYSA-N 0 1 406.939 3.725 50 0 HHAAMN CCCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[n-]c(=O)c2C1 ZINC000020467812 568610643 /nfs/dbraw/zinc/61/06/43/568610643.db2.gz JLHFHSPNPGDYAV-UHFFFAOYSA-N 0 1 406.939 3.725 50 0 HHAAMN COc1ccccc1N1CCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000020889927 568647741 /nfs/dbraw/zinc/64/77/41/568647741.db2.gz BAPKGDPIZYBFLI-UHFFFAOYSA-N 0 1 402.926 3.682 50 0 HHAAMN COCCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c1=O ZINC000021097783 568665399 /nfs/dbraw/zinc/66/53/99/568665399.db2.gz DAXVHDVYJPVIBC-OAQYLSRUSA-N 0 1 404.938 3.983 50 0 HHAAMN CCc1cccc(C)c1NS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCC1 ZINC000021154085 568673038 /nfs/dbraw/zinc/67/30/38/568673038.db2.gz OYOALOPOOFUKCB-UHFFFAOYSA-N 0 1 403.548 3.550 50 0 HHAAMN COc1ccccc1N1CCN(CCCNC(=O)Nc2cccc3c2CCCC3)CC1 ZINC000021175160 568677053 /nfs/dbraw/zinc/67/70/53/568677053.db2.gz QSWLUYZCIOLDDN-UHFFFAOYSA-N 0 1 422.573 3.908 50 0 HHAAMN O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000095993083 568678101 /nfs/dbraw/zinc/67/81/01/568678101.db2.gz AGVILMWRMRJMKG-KRWDZBQOSA-N 0 1 411.506 3.670 50 0 HHAAMN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2nc[nH]c2c1 ZINC000242339253 568732789 /nfs/dbraw/zinc/73/27/89/568732789.db2.gz ZGGQEDVMWYBQOB-UHFFFAOYSA-N 0 1 424.457 3.684 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccs4)CC3)n[nH]2)c(C)c1 ZINC000096400020 568749212 /nfs/dbraw/zinc/74/92/12/568749212.db2.gz YPNBUWSSWJCCRF-UHFFFAOYSA-N 0 1 408.527 3.790 50 0 HHAAMN O=C(CNCc1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000052537352 568769735 /nfs/dbraw/zinc/76/97/35/568769735.db2.gz BJOKOZJDGDBUJB-UHFFFAOYSA-N 0 1 400.647 3.673 50 0 HHAAMN Fc1ccccc1Cn1nc(CNCCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492601 568820578 /nfs/dbraw/zinc/82/05/78/568820578.db2.gz PGOQIJGZTIMRLH-UHFFFAOYSA-N 0 1 403.461 3.696 50 0 HHAAMN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000057105589 568824195 /nfs/dbraw/zinc/82/41/95/568824195.db2.gz AMUPFGDCAJZQCJ-QUZZAMIASA-N 0 1 411.477 3.645 50 0 HHAAMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000057412279 568833154 /nfs/dbraw/zinc/83/31/54/568833154.db2.gz OTJYNGIESZTVGE-UHFFFAOYSA-N 0 1 413.817 3.556 50 0 HHAAMN CC(C)(C)P(=[NH+]C(=S)[N-]Cc1ccccc1)(N1CCOCC1)N1CCOCC1 ZINC000005976576 568833445 /nfs/dbraw/zinc/83/34/45/568833445.db2.gz IYXZJZAYWZUJPS-UHFFFAOYSA-N 0 1 424.551 3.555 50 0 HHAAMN O=C(CSc1nc(=O)c2sccc2[nH]1)NCc1ccccc1Br ZINC000057477640 568839724 /nfs/dbraw/zinc/83/97/24/568839724.db2.gz YHZJEORQVAIRDE-UHFFFAOYSA-N 0 1 410.318 3.568 50 0 HHAAMN O=C(Nc1ccncc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000012527218 568843216 /nfs/dbraw/zinc/84/32/16/568843216.db2.gz WLSCVXHUCDOYIY-UHFFFAOYSA-N 0 1 405.838 3.927 50 0 HHAAMN O=C(COC(=O)CCCc1nc2ccccc2s1)NC(=O)c1ccccc1Cl ZINC000003434323 568859544 /nfs/dbraw/zinc/85/95/44/568859544.db2.gz USLXAYBBJLBXAW-UHFFFAOYSA-N 0 1 416.886 3.772 50 0 HHAAMN Cc1ccc2nc(S[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)[nH]c2c1 ZINC000012577872 568862990 /nfs/dbraw/zinc/86/29/90/568862990.db2.gz LNGACAMARJPHBS-SNVBAGLBSA-N 0 1 422.432 3.524 50 0 HHAAMN C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](c3cccs3)N(C)C)cc2F)C[C@@H](C)O1 ZINC000057853786 568863451 /nfs/dbraw/zinc/86/34/51/568863451.db2.gz PRPMLKFYHNBGTJ-CLCXKQKWSA-N 0 1 420.554 3.925 50 0 HHAAMN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000012779234 568956531 /nfs/dbraw/zinc/95/65/31/568956531.db2.gz NUKAIIRCBMXOAP-INIZCTEOSA-N 0 1 415.588 3.787 50 0 HHAAMN CCOC(=O)C1C(CN2CCCSc3ccccc32)=NC(=O)N[C@H]1c1ccccc1 ZINC000008160126 568978939 /nfs/dbraw/zinc/97/89/39/568978939.db2.gz FENUZUICAPAGHV-NRFANRHFSA-N 0 1 423.538 3.860 50 0 HHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N(Cc1ccco1)Cc1ccccc1 ZINC000012813023 568987018 /nfs/dbraw/zinc/98/70/18/568987018.db2.gz PLEAEGXSVCEEIM-UHFFFAOYSA-N 0 1 405.483 3.781 50 0 HHAAMN CCN(Cc1ccc(OC)c(F)c1)C(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000008332105 568993127 /nfs/dbraw/zinc/99/31/27/568993127.db2.gz XKQGCBCRYMJKFO-UHFFFAOYSA-N 0 1 418.469 3.899 50 0 HHAAMN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000008373995 568995700 /nfs/dbraw/zinc/99/57/00/568995700.db2.gz HLXDNXWBZSUKES-LJQANCHMSA-N 0 1 412.873 3.562 50 0 HHAAMN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000015972321 569025232 /nfs/dbraw/zinc/02/52/32/569025232.db2.gz AMUPFGDCAJZQCJ-BVZALQNUSA-N 0 1 411.477 3.645 50 0 HHAAMN CC(C)c1ccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000016021794 569026118 /nfs/dbraw/zinc/02/61/18/569026118.db2.gz JPUSPCZMAFUGHR-HSZRJFAPSA-N 0 1 405.542 3.702 50 0 HHAAMN CCN(CC)[C@H](CNC(=O)CCNC(=O)c1ccsc1)c1ccccc1Cl ZINC000013004236 569049500 /nfs/dbraw/zinc/04/95/00/569049500.db2.gz LYNSOFMUHLFHOK-GOSISDBHSA-N 0 1 407.967 3.721 50 0 HHAAMN CC(C)(C)c1ccc(C(=O)NCCC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000006432550 569050465 /nfs/dbraw/zinc/05/04/65/569050465.db2.gz ZXDYIVYMJBOSMY-HXUWFJFHSA-N 0 1 411.546 3.650 50 0 HHAAMN CCc1nc(C)c([C@H](C)N(C)CC(=O)NC[C@@H](c2ccco2)N(CC)CC)s1 ZINC000089289887 569058064 /nfs/dbraw/zinc/05/80/64/569058064.db2.gz PYZLSYXOQDDPCN-IRXDYDNUSA-N 0 1 406.596 3.799 50 0 HHAAMN O=[N+]([O-])c1ccccc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1 ZINC000252642976 569061070 /nfs/dbraw/zinc/06/10/70/569061070.db2.gz ZSFPGNOGEIJSRY-UHFFFAOYSA-N 0 1 404.434 3.570 50 0 HHAAMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000079014687 569064330 /nfs/dbraw/zinc/06/43/30/569064330.db2.gz ZGAPHQMDHMEEFH-UHFFFAOYSA-N 0 1 404.669 3.812 50 0 HHAAMN CCc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000035876725 569064365 /nfs/dbraw/zinc/06/43/65/569064365.db2.gz MIPIVZINQFSHFR-ZSHKSDETSA-N 0 1 419.569 3.825 50 0 HHAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006549617 569064921 /nfs/dbraw/zinc/06/49/21/569064921.db2.gz GNGLPBXHQZPIOY-UHFFFAOYSA-N 0 1 410.451 3.511 50 0 HHAAMN CCCCOc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1 ZINC000064799740 569097236 /nfs/dbraw/zinc/09/72/36/569097236.db2.gz SDRQJSKRMNLYKV-UHFFFAOYSA-N 0 1 423.561 3.527 50 0 HHAAMN CCOC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145975 569098595 /nfs/dbraw/zinc/09/85/95/569098595.db2.gz QTKJEPAJRPVJCC-SFTDATJTSA-N 0 1 402.922 3.733 50 0 HHAAMN CCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)c1 ZINC000006752902 569111425 /nfs/dbraw/zinc/11/14/25/569111425.db2.gz MLGZFHLZGVILRC-QHCPKHFHSA-N 0 1 421.497 3.889 50 0 HHAAMN Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(C[C@H](C)O)CC1 ZINC000036340151 569141507 /nfs/dbraw/zinc/14/15/07/569141507.db2.gz DICVMSDDBSCXQE-FQEVSTJZSA-N 0 1 416.569 3.854 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)CC1 ZINC000036341603 569141951 /nfs/dbraw/zinc/14/19/51/569141951.db2.gz KPTYIQGOLKROOW-QFIPXVFZSA-N 0 1 410.949 3.655 50 0 HHAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1 ZINC000065008978 569153288 /nfs/dbraw/zinc/15/32/88/569153288.db2.gz SVAUALOYRRVNMT-UHFFFAOYSA-N 0 1 419.528 3.743 50 0 HHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000065116066 569179702 /nfs/dbraw/zinc/17/97/02/569179702.db2.gz VFAKSMJDIPGEDN-UHFFFAOYSA-N 0 1 415.471 3.726 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(OCC(C)C)cc2)N(C)C)cc1OC ZINC000006937108 569185271 /nfs/dbraw/zinc/18/52/71/569185271.db2.gz HJNXNAUWRVRJEM-FQEVSTJZSA-N 0 1 400.519 3.771 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000065186554 569192162 /nfs/dbraw/zinc/19/21/62/569192162.db2.gz ZQYTXLZUUIDNRX-UHFFFAOYSA-N 0 1 404.467 3.818 50 0 HHAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)cc1 ZINC000007209176 569228525 /nfs/dbraw/zinc/22/85/25/569228525.db2.gz BYKLILOZTDBZIR-AWEZNQCLSA-N 0 1 407.499 3.636 50 0 HHAAMN O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000065533807 569234499 /nfs/dbraw/zinc/23/44/99/569234499.db2.gz HYJFLJKEQCUWTP-HXUWFJFHSA-N 0 1 416.569 3.990 50 0 HHAAMN O=C1[C@@H](NCc2ccc(N3CCCC3)nc2)CCN1c1ccccc1C(F)(F)F ZINC000170597911 569242204 /nfs/dbraw/zinc/24/22/04/569242204.db2.gz SSEARHHEKROFID-KRWDZBQOSA-N 0 1 404.436 3.596 50 0 HHAAMN O=C(c1ccccc1NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(F)(F)F ZINC000170617428 569248110 /nfs/dbraw/zinc/24/81/10/569248110.db2.gz KHKGWFYFEGWJIG-UHFFFAOYSA-N 0 1 409.332 3.876 50 0 HHAAMN COc1ccccc1-c1n[nH]c(NC(=O)c2cn(C(C)C)c(=O)c3ccccc23)n1 ZINC000170625095 569249578 /nfs/dbraw/zinc/24/95/78/569249578.db2.gz FURUVMWCVKXFQX-UHFFFAOYSA-N 0 1 403.442 3.628 50 0 HHAAMN Cc1cc(C=C2CCN(CC(=O)Nc3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)no1 ZINC000089600997 569261148 /nfs/dbraw/zinc/26/11/48/569261148.db2.gz MEMCOFNMJPRCFK-UHFFFAOYSA-N 0 1 419.407 3.996 50 0 HHAAMN O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(Cc2nc[nH]n2)cc1 ZINC000089779373 569263893 /nfs/dbraw/zinc/26/38/93/569263893.db2.gz QSNXHFZAEUGEMI-UHFFFAOYSA-N 0 1 403.417 3.652 50 0 HHAAMN O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)NC1CCCC1 ZINC000016840451 569264407 /nfs/dbraw/zinc/26/44/07/569264407.db2.gz CZCWJNJBUUYPLJ-UHFFFAOYSA-N 0 1 418.569 3.656 50 0 HHAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccnc2ccccc21 ZINC000253399241 569365376 /nfs/dbraw/zinc/36/53/76/569365376.db2.gz CRVXAJCGIKXFKH-OAHLLOKOSA-N 0 1 415.401 3.999 50 0 biogenic HHAAMN CCOc1cc(/C=C2\NC(=O)NC2=O)ccc1OCCCOc1cc(C)ccc1C ZINC000027552198 569372821 /nfs/dbraw/zinc/37/28/21/569372821.db2.gz LMAYENFTPQOKLJ-AQTBWJFISA-N 0 1 410.470 3.730 50 0 HHAAMN Cc1ccn(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nn2)n1 ZINC000013010056 569407244 /nfs/dbraw/zinc/40/72/44/569407244.db2.gz HPAGTHJFKGCIOY-UHFFFAOYSA-N 0 1 424.461 3.654 50 0 HHAAMN CC[C@H](C(=O)Nc1cccc(OC)c1)N1CCC(C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000013353469 569411289 /nfs/dbraw/zinc/41/12/89/569411289.db2.gz SOYKFOSHRMINEH-JBYIUTFZSA-N 0 1 415.578 3.629 50 0 HHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000008484217 571054980 /nfs/dbraw/zinc/05/49/80/571054980.db2.gz VVUFTTNMPASUBG-CYBMUJFWSA-N 0 1 410.499 3.560 50 0 HHAAMN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)cc(C)c3O)n[nH]1)CCCC2 ZINC000008845593 571125488 /nfs/dbraw/zinc/12/54/88/571125488.db2.gz JCYAZHKARHQEHL-UHFFFAOYSA-N 0 1 424.526 3.951 50 0 HHAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000008862079 571128627 /nfs/dbraw/zinc/12/86/27/571128627.db2.gz CQVKTYMCPVWEKC-UHFFFAOYSA-N 0 1 421.478 3.543 50 0 HHAAMN CN(C)CCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000039844289 571134614 /nfs/dbraw/zinc/13/46/14/571134614.db2.gz BQMAHMJVNGQXDP-UHFFFAOYSA-N 0 1 403.479 3.677 50 0 HHAAMN O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008893228 571143159 /nfs/dbraw/zinc/14/31/59/571143159.db2.gz VFOIKTOLPIPINS-FQEVSTJZSA-N 0 1 403.592 3.788 50 0 HHAAMN O=C(NC[C@H]1COc2ccccc2O1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000040071264 571152056 /nfs/dbraw/zinc/15/20/56/571152056.db2.gz FKCSBPQDCPOYHM-MBSDFSHPSA-N 0 1 414.465 3.792 50 0 HHAAMN CN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(Cl)cc3)Sc3ccccc3N2)C1=O ZINC000008997174 571209211 /nfs/dbraw/zinc/20/92/11/571209211.db2.gz JYITXVGECNYZHK-DXFLKOCDSA-N 0 1 413.886 3.951 50 0 HHAAMN CCCN1c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009171994 571234158 /nfs/dbraw/zinc/23/41/58/571234158.db2.gz FBPUBUUEBNAJLR-UHFFFAOYSA-N 0 1 424.469 3.927 50 0 HHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N[C@H](c1cccs1)c1ccccc1 ZINC000009336634 571249146 /nfs/dbraw/zinc/24/91/46/571249146.db2.gz OZWRATXRFZVAEH-SFHVURJKSA-N 0 1 407.524 3.926 50 0 HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000009354766 571250833 /nfs/dbraw/zinc/25/08/33/571250833.db2.gz JDDSOVJSPJLDIB-UHFFFAOYSA-N 0 1 418.478 3.991 50 0 HHAAMN Cc1ccnc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000009423542 571257587 /nfs/dbraw/zinc/25/75/87/571257587.db2.gz MJMIOOAVXJRVCP-UHFFFAOYSA-N 0 1 402.406 3.887 50 0 biogenic HHAAMN O=C(Nc1nnc(SCc2cn3ccccc3n2)s1)c1cc(-c2ccco2)on1 ZINC000070635140 571270394 /nfs/dbraw/zinc/27/03/94/571270394.db2.gz RUTMKKWFSPROPK-UHFFFAOYSA-N 0 1 424.467 3.978 50 0 HHAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)n1C ZINC000009684745 571279549 /nfs/dbraw/zinc/27/95/49/571279549.db2.gz ZSALYAGRZQFOEL-UHFFFAOYSA-N 0 1 409.939 3.641 50 0 HHAAMN Cc1cccc(CN2CCN(C(=O)CN3CCC(Nc4ccccc4C)CC3)CC2)c1 ZINC000071867372 571303914 /nfs/dbraw/zinc/30/39/14/571303914.db2.gz MXVKMILTTJBOSA-UHFFFAOYSA-N 0 1 420.601 3.524 50 0 HHAAMN Cc1ccccc1NC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 ZINC000077200571 571313048 /nfs/dbraw/zinc/31/30/48/571313048.db2.gz RILZCKRGLCQDIT-UHFFFAOYSA-N 0 1 402.502 3.751 50 0 HHAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000020512953 571314636 /nfs/dbraw/zinc/31/46/36/571314636.db2.gz ZZKQJUKBPXSOSS-QLVMHMETSA-N 0 1 415.415 3.976 50 0 HHAAMN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H]2CCCCN2C)C3)c1 ZINC000011995946 962220999 /nfs/dbraw/zinc/22/09/99/962220999.db2.gz LWHZBPGVISUMPF-CVDCTZTESA-N 0 1 424.516 3.908 50 0 HHAAMN COc1cc(CN2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)ccc1O ZINC000012450636 962282521 /nfs/dbraw/zinc/28/25/21/962282521.db2.gz KDYQUTFVLUZIPT-UHFFFAOYSA-N 0 1 406.530 3.982 50 0 HHAAMN CCC(NCCc1ccc(F)cc1)=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000020109943 963383992 /nfs/dbraw/zinc/38/39/92/963383992.db2.gz XTTGIZPJTVCNIZ-VXPUYCOJSA-N 0 1 413.493 3.591 50 0 HHAAMN CC[C@H](C)N1CCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000107472805 969309613 /nfs/dbraw/zinc/30/96/13/969309613.db2.gz DQPCWHBNKVGLBC-KRWDZBQOSA-N 0 1 413.537 3.842 50 0 HHAAMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1c1nc(CCOCC2CCCC2)no1 ZINC000169791818 970483223 /nfs/dbraw/zinc/48/32/23/970483223.db2.gz KEVQUEFBSTUCOS-GOSISDBHSA-N 0 1 409.490 3.673 50 0 HHAAMN Cc1cnc(CO[C@@H]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)C2)n1C ZINC000257176775 970617930 /nfs/dbraw/zinc/61/79/30/970617930.db2.gz URLBUUUQCLPWSR-QGZVFWFLSA-N 0 1 413.909 3.593 50 0 HHAAMN CCCc1nc2oc3c(ncnc3N3CCN(CC)CC3)c2c2c1COC(C)(C)C2 ZINC000002329616 132252671 /nfs/dbraw/zinc/25/26/71/132252671.db2.gz GYVXUCSAXFZMFA-UHFFFAOYSA-N 0 1 409.534 3.717 50 0 HHAAMN CCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000003553090 132266827 /nfs/dbraw/zinc/26/68/27/132266827.db2.gz MJGCRFRYYNGOFS-UHFFFAOYSA-N 0 1 403.910 3.508 50 0 HHAAMN CCC(Nc1ccc([NH+](CC)CC)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009111429 132335967 /nfs/dbraw/zinc/33/59/67/132335967.db2.gz PCZNVELNFKUBER-FMQUCBEESA-N 0 1 406.486 3.892 50 0 HHAAMN O=C1c2ccccc2C(=CNc2ncnc3[nH]cnc32)C(=O)N1c1cccc(Cl)c1 ZINC000009634830 132341925 /nfs/dbraw/zinc/34/19/25/132341925.db2.gz YYWNWWHUMNPLFL-SXGWCWSVSA-N 0 1 416.828 3.646 50 0 HHAAMN O=C(c1cccc2ccccc21)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697944 132349984 /nfs/dbraw/zinc/34/99/84/132349984.db2.gz AUIVDAGGUFYZRX-UHFFFAOYSA-N 0 1 410.481 3.731 50 0 HHAAMN CC(C)Cc1cc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n[nH]1 ZINC000011819444 132351134 /nfs/dbraw/zinc/35/11/34/132351134.db2.gz LZGONAFUOVPISA-UHFFFAOYSA-N 0 1 416.573 3.876 50 0 HHAAMN O=C(COc1ccc2ccccc2c1)NCCCN1CCN(c2ccccc2)CC1 ZINC000011853274 132351310 /nfs/dbraw/zinc/35/13/10/132351310.db2.gz OPFCYRMJAPPGJC-UHFFFAOYSA-N 0 1 403.526 3.547 50 0 HHAAMN CC(=O)N1CCC(N2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000020586784 519511419 /nfs/dbraw/zinc/51/14/19/519511419.db2.gz LJYRHOWTJXDMTI-JOCHJYFZSA-N 0 1 422.529 3.678 50 0 HHAAMN CC(C)CN1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579025 519723659 /nfs/dbraw/zinc/72/36/59/519723659.db2.gz MEQDRLVDZPQJHT-UHFFFAOYSA-N 0 1 420.513 3.583 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000040478297 522281616 /nfs/dbraw/zinc/28/16/16/522281616.db2.gz HZVAGPXGYDHOFC-UHFFFAOYSA-N 0 1 400.232 3.878 50 0 HHAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000040162357 524662021 /nfs/dbraw/zinc/66/20/21/524662021.db2.gz YJPNGECYNRZPSW-UHFFFAOYSA-N 0 1 423.450 3.895 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCCC1 ZINC000032902431 524733681 /nfs/dbraw/zinc/73/36/81/524733681.db2.gz QJKPUTBLZSBBGT-QGZVFWFLSA-N 0 1 423.435 3.598 50 0 HHAAMN O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029630948 527130012 /nfs/dbraw/zinc/13/00/12/527130012.db2.gz GSPDPTRQJAVCIP-UHFFFAOYSA-N 0 1 417.431 3.514 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000001033524 557148716 /nfs/dbraw/zinc/14/87/16/557148716.db2.gz INJXCNCKDBMSPK-UHFFFAOYSA-N 0 1 415.450 3.677 50 0 HHAAMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000004426834 557554500 /nfs/dbraw/zinc/55/45/00/557554500.db2.gz FUQKGAWRINVOJB-SFZJTNDWSA-N 0 1 418.559 3.865 50 0 HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c(C)c1 ZINC000004756665 557594233 /nfs/dbraw/zinc/59/42/33/557594233.db2.gz JAVIZQRATKEUJX-INIZCTEOSA-N 0 1 422.934 3.666 50 0 HHAAMN CCOc1cc(CNCc2cccnc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356190 557838849 /nfs/dbraw/zinc/83/88/49/557838849.db2.gz DWRUAHVVPSDYTR-UHFFFAOYSA-N 0 1 402.458 3.538 50 0 HHAAMN COc1ccc(OCc2cc(C(=O)N(C)[C@H](C)c3nccs3)[nH]n2)c(Cl)c1 ZINC000011661976 558265924 /nfs/dbraw/zinc/26/59/24/558265924.db2.gz GINBNYCZNOTZEW-LLVKDONJSA-N 0 1 406.895 3.940 50 0 HHAAMN Cc1ccc2nc(SCC(=O)N[C@H]3CCCN(Cc4ccccc4F)C3)[nH]c2c1 ZINC000011664598 558268250 /nfs/dbraw/zinc/26/82/50/558268250.db2.gz YNMRAJXILJVQSV-KRWDZBQOSA-N 0 1 412.534 3.883 50 0 HHAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1)c1ccccc1Cl ZINC000011817047 558280355 /nfs/dbraw/zinc/28/03/55/558280355.db2.gz FSUIKEKFHPXTDI-UHFFFAOYSA-N 0 1 414.893 3.711 50 0 HHAAMN OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 ZINC000019792503 558283321 /nfs/dbraw/zinc/28/33/21/558283321.db2.gz LSHMMYOHQJABAR-QFIPXVFZSA-N 0 1 407.583 3.921 50 0 HHAAMN Cc1ccc(CN2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)o1 ZINC000011820985 558284264 /nfs/dbraw/zinc/28/42/64/558284264.db2.gz VNBWIOZIMCZESS-UHFFFAOYSA-N 0 1 405.498 3.956 50 0 HHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cnn(C(C)C)c1 ZINC000011949894 558302826 /nfs/dbraw/zinc/30/28/26/558302826.db2.gz KJAFDQCPLDMBTR-UHFFFAOYSA-N 0 1 416.541 3.604 50 0 HHAAMN CCOC(=O)c1ccc2nc(NC(=O)CSc3nc(C)c(CC)[nH]3)sc2c1 ZINC000020095099 558331091 /nfs/dbraw/zinc/33/10/91/558331091.db2.gz JYBABBHNEWPLOO-UHFFFAOYSA-N 0 1 404.517 3.798 50 0 HHAAMN CC(=O)c1cccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1 ZINC000020236037 558350737 /nfs/dbraw/zinc/35/07/37/558350737.db2.gz XCZXTNPTBSOQFI-UHFFFAOYSA-N 0 1 403.486 3.570 50 0 HHAAMN Cc1ccc2nc([C@H]3CCCN3Cc3nc(-c4ccc5c(c4)OCO5)no3)[nH]c2c1 ZINC000012303278 558372907 /nfs/dbraw/zinc/37/29/07/558372907.db2.gz JMJMLCAQTXXIFX-QGZVFWFLSA-N 0 1 403.442 3.987 50 0 HHAAMN COCc1cc(CN(C)C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)n[nH]1 ZINC000012305517 558374428 /nfs/dbraw/zinc/37/44/28/558374428.db2.gz RZLSGOSDYDCXLT-UHFFFAOYSA-N 0 1 404.470 3.755 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cc(Cl)ccc1Cl ZINC000020717770 558401785 /nfs/dbraw/zinc/40/17/85/558401785.db2.gz IECITPXDPHEHTG-AWEZNQCLSA-N 0 1 402.241 3.774 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F ZINC000020717411 558401879 /nfs/dbraw/zinc/40/18/79/558401879.db2.gz BIORCERIJNJLQR-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2F)c1 ZINC000020721217 558402971 /nfs/dbraw/zinc/40/29/71/558402971.db2.gz BKVWHWOYLHNYFC-FQEVSTJZSA-N 0 1 424.432 3.524 50 0 HHAAMN Cc1nn(-c2ncccn2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000020730858 558406682 /nfs/dbraw/zinc/40/66/82/558406682.db2.gz ZGRHHLCWWYBALD-ZDUSSCGKSA-N 0 1 412.247 3.691 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Cl)c(Cl)c1 ZINC000020739617 558408733 /nfs/dbraw/zinc/40/87/33/558408733.db2.gz ZERKWDJAEUZIOF-CQSZACIVSA-N 0 1 402.241 3.774 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F ZINC000020744532 558409259 /nfs/dbraw/zinc/40/92/59/558409259.db2.gz MLHUTIHWXAJSCF-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000020998661 558427433 /nfs/dbraw/zinc/42/74/33/558427433.db2.gz XMJLNBZSCFHGRD-QGZVFWFLSA-N 0 1 418.969 3.699 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCc2ccco2)c1 ZINC000021220721 558434048 /nfs/dbraw/zinc/43/40/48/558434048.db2.gz BYHATBCSFSUNDM-UHFFFAOYSA-N 0 1 400.456 3.660 50 0 HHAAMN Cc1ccc(-n2cc(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)cn2)cc1 ZINC000012589984 558435297 /nfs/dbraw/zinc/43/52/97/558435297.db2.gz RONWQJSGASFTHE-UHFFFAOYSA-N 0 1 404.518 3.563 50 0 HHAAMN COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000012593410 558436677 /nfs/dbraw/zinc/43/66/77/558436677.db2.gz AOYUARWXDXOVQF-KRWDZBQOSA-N 0 1 403.906 3.815 50 0 HHAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000004356029 558443400 /nfs/dbraw/zinc/44/34/00/558443400.db2.gz VHXYNEQEVHMYQZ-MOSHPQCFSA-N 0 1 420.444 3.762 50 0 HHAAMN CCCCN1C(=O)NC(=CC2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)C1=O ZINC000004355337 558447058 /nfs/dbraw/zinc/44/70/58/558447058.db2.gz DVGWKSUXKQFYQB-HKWRFOASSA-N 0 1 416.481 3.997 50 0 HHAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)[C@H]3COc4ccccc4O3)nc2c1C ZINC000004359385 558451352 /nfs/dbraw/zinc/45/13/52/558451352.db2.gz HWNOWPPPDPNXKP-GOSISDBHSA-N 0 1 411.527 3.648 50 0 HHAAMN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012713675 558454073 /nfs/dbraw/zinc/45/40/73/558454073.db2.gz YMSCBALECVDQOJ-UHFFFAOYSA-N 0 1 406.534 3.891 50 0 HHAAMN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000012758276 558460395 /nfs/dbraw/zinc/46/03/95/558460395.db2.gz IULOTDNHUQHDAW-UHFFFAOYSA-N 0 1 406.482 3.682 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000012867035 558482064 /nfs/dbraw/zinc/48/20/64/558482064.db2.gz AGNHJZHRWHXEJT-UHFFFAOYSA-N 0 1 408.479 3.699 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCCCO3)N2CCCCC2)cc1 ZINC000022685688 558504549 /nfs/dbraw/zinc/50/45/49/558504549.db2.gz NSLCUIVZEITFLM-NRFANRHFSA-N 0 1 410.514 3.814 50 0 HHAAMN Cc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3nccnc32)cc1 ZINC000022735915 558506868 /nfs/dbraw/zinc/50/68/68/558506868.db2.gz UQUMUBIIMVFXGD-UHFFFAOYSA-N 0 1 411.513 3.794 50 0 HHAAMN O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022860281 558517531 /nfs/dbraw/zinc/51/75/31/558517531.db2.gz HQTANMYTJJULQY-AREMUKBSSA-N 0 1 416.565 3.971 50 0 HHAAMN CN1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860252 558517587 /nfs/dbraw/zinc/51/75/87/558517587.db2.gz UQZPLFLUUGHBOA-FQEVSTJZSA-N 0 1 409.357 3.708 50 0 HHAAMN CN(C)c1nc(Cl)c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)s1 ZINC000022914350 558521091 /nfs/dbraw/zinc/52/10/91/558521091.db2.gz JCNKMFIMNSOLFX-SFHVURJKSA-N 0 1 420.026 3.649 50 0 HHAAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000013594956 558546971 /nfs/dbraw/zinc/54/69/71/558546971.db2.gz QHSQMXUGWJUSOH-LJQANCHMSA-N 0 1 405.498 3.984 50 0 HHAAMN O=C1c2ccccc2[C@@H](NCCCN2CCOCC2)N1[C@@H]1CCCc2ccccc21 ZINC000023504884 558560247 /nfs/dbraw/zinc/56/02/47/558560247.db2.gz ZCEQVZRJMTYIAP-RPWUZVMVSA-N 0 1 405.542 3.531 50 0 HHAAMN O=C(CN1CCC[C@H]1c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023732582 558571862 /nfs/dbraw/zinc/57/18/62/558571862.db2.gz NHBJBKZKRJLECX-IBGZPJMESA-N 0 1 403.979 3.883 50 0 HHAAMN CCOc1cc(CNCc2ccncc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717735 558580236 /nfs/dbraw/zinc/58/02/36/558580236.db2.gz XKTIMIZREZIXGR-UHFFFAOYSA-N 0 1 402.458 3.538 50 0 HHAAMN CC(=O)Nc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)n[nH]3)sc2c1 ZINC000013941863 558604577 /nfs/dbraw/zinc/60/45/77/558604577.db2.gz OQBBWOSJOUFMLH-UHFFFAOYSA-N 0 1 424.511 3.771 50 0 HHAAMN CN1CCN(C(C)(C)CNC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000024667078 558606931 /nfs/dbraw/zinc/60/69/31/558606931.db2.gz RWRRZTDHWMRCNQ-UHFFFAOYSA-N 0 1 408.590 3.534 50 0 HHAAMN CCc1c(O)nc(SCC(=O)Nc2ccc(OC)cc2)n(C2CCCCC2)c1=O ZINC000013957320 558607904 /nfs/dbraw/zinc/60/79/04/558607904.db2.gz XPUFLKKZFRBTLK-UHFFFAOYSA-N 0 1 417.531 3.756 50 0 HHAAMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c2)cc1 ZINC000027145050 558670110 /nfs/dbraw/zinc/67/01/10/558670110.db2.gz VBFUCUGJNNHZNR-UHFFFAOYSA-N 0 1 417.575 3.644 50 0 HHAAMN CN(Cc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014964118 558685133 /nfs/dbraw/zinc/68/51/33/558685133.db2.gz LFEYNHGUMDTGQU-HSZRJFAPSA-N 0 1 401.510 3.814 50 0 HHAAMN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCCN(Cc2cccs2)CC1 ZINC000028035309 558689850 /nfs/dbraw/zinc/68/98/50/558689850.db2.gz JAGVWSSRBFXKJP-UHFFFAOYSA-N 0 1 408.571 3.958 50 0 HHAAMN O=C1CCN(Cc2ccc3c(c2)OCO3)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000014995560 558696093 /nfs/dbraw/zinc/69/60/93/558696093.db2.gz SUYQHUIRCPCTHC-UHFFFAOYSA-N 0 1 406.404 3.669 50 0 HHAAMN CCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)c(C)n1 ZINC000015064864 558707859 /nfs/dbraw/zinc/70/78/59/558707859.db2.gz MUZGYMXCJSMITE-UHFFFAOYSA-N 0 1 410.562 3.881 50 0 HHAAMN Cc1ncc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)s1 ZINC000015068389 558710832 /nfs/dbraw/zinc/71/08/32/558710832.db2.gz KVSAERJEYBSCQM-UHFFFAOYSA-N 0 1 422.554 3.820 50 0 HHAAMN CCc1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1 ZINC000015078659 558717782 /nfs/dbraw/zinc/71/77/82/558717782.db2.gz DDGRJVPSJRJALP-UHFFFAOYSA-N 0 1 420.513 3.605 50 0 HHAAMN COc1cc([C@@H]2ON=C(CNCc3ccc(Cl)cc3)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015085720 558720347 /nfs/dbraw/zinc/72/03/47/558720347.db2.gz RFNMMGDMDRSNEJ-KPZWWZAWSA-N 0 1 418.877 3.939 50 0 HHAAMN O=C(/C=C/c1ccccc1Br)NCC1(N2CCOCC2)CCCCC1 ZINC000029968763 558725128 /nfs/dbraw/zinc/72/51/28/558725128.db2.gz UXANOHMFASJONV-CMDGGOBGSA-N 0 1 407.352 3.614 50 0 HHAAMN COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000000665294 558829864 /nfs/dbraw/zinc/82/98/64/558829864.db2.gz GDBYXPBOLOCNIK-STZFKDTASA-N 0 1 421.497 3.897 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000013696316 558855809 /nfs/dbraw/zinc/85/58/09/558855809.db2.gz LDSWBDFPNVPQBQ-UHFFFAOYSA-N 0 1 414.527 3.884 50 0 HHAAMN CCc1nc(SCc2noc(CCC(=O)Nc3ccc4ccccc4c3)n2)n[nH]1 ZINC000033087457 558871158 /nfs/dbraw/zinc/87/11/58/558871158.db2.gz LJHLGXPYDDVUIL-UHFFFAOYSA-N 0 1 408.487 3.767 50 0 HHAAMN CCc1n[nH]c(SCc2noc(CCC(=O)Nc3ccc4ccccc4c3)n2)n1 ZINC000033087457 558871161 /nfs/dbraw/zinc/87/11/61/558871161.db2.gz LJHLGXPYDDVUIL-UHFFFAOYSA-N 0 1 408.487 3.767 50 0 HHAAMN O=C(CCC(F)(F)F)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055074250 558871849 /nfs/dbraw/zinc/87/18/49/558871849.db2.gz AXYPMKCSKIPNNW-QGZVFWFLSA-N 0 1 403.876 3.796 50 0 HHAAMN CSc1ccc(CC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055107736 558872816 /nfs/dbraw/zinc/87/28/16/558872816.db2.gz PCDBQGLUVKCZRG-QFIPXVFZSA-N 0 1 409.599 3.764 50 0 HHAAMN Cc1ncsc1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000055281709 558878374 /nfs/dbraw/zinc/87/83/74/558878374.db2.gz FDIYKKQAUGVWHB-HXUWFJFHSA-N 0 1 412.603 3.506 50 0 HHAAMN COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1C ZINC000055325891 558879147 /nfs/dbraw/zinc/87/91/47/558879147.db2.gz JKOGNOBPWWQKOR-QFIPXVFZSA-N 0 1 407.558 3.739 50 0 HHAAMN COCCC[N@H+]1CCc2nc(SCc3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1 ZINC000033141653 558893310 /nfs/dbraw/zinc/89/33/10/558893310.db2.gz AVRRGNPSAJNDKA-UHFFFAOYSA-N 0 1 413.465 3.888 50 0 HHAAMN COCCC[N@@H+]1CCc2nc(SCc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000033141653 558893311 /nfs/dbraw/zinc/89/33/11/558893311.db2.gz AVRRGNPSAJNDKA-UHFFFAOYSA-N 0 1 413.465 3.888 50 0 HHAAMN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(Cl)c1Cl ZINC000010657308 558893742 /nfs/dbraw/zinc/89/37/42/558893742.db2.gz LJQBEGQSUXNPHW-UHFFFAOYSA-N 0 1 410.286 3.783 50 0 HHAAMN COc1ccc(CN(Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc1OC ZINC000033068969 558980475 /nfs/dbraw/zinc/98/04/75/558980475.db2.gz GULBMSSKJHAORS-UHFFFAOYSA-N 0 1 401.532 3.740 50 0 HHAAMN O=C(NCc1nc(-c2ccccc2)no1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000067613297 558989113 /nfs/dbraw/zinc/98/91/13/558989113.db2.gz WZAMPHQZOAAKBE-UHFFFAOYSA-N 0 1 410.905 3.918 50 0 HHAAMN C[C@H](C(=O)NC1CC1)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756102 558992495 /nfs/dbraw/zinc/99/24/95/558992495.db2.gz JEIRJLQGXXGTOX-QGZVFWFLSA-N 0 1 400.526 3.615 50 0 HHAAMN CC(C)n1cc(Br)cc1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000097143688 558997016 /nfs/dbraw/zinc/99/70/16/558997016.db2.gz HZFXGHFZKIQJEO-UHFFFAOYSA-N 0 1 402.296 3.589 50 0 HHAAMN Cc1c2cc(CNC(=O)[C@@H](C)CN3CCOCC3)ccc2[nH]c1-c1ccccc1F ZINC000077408206 559004422 /nfs/dbraw/zinc/00/44/22/559004422.db2.gz YFZIEQDVXHZUHS-INIZCTEOSA-N 0 1 409.505 3.867 50 0 HHAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4nccs4)n3)[nH]c2c1 ZINC000033270729 559032471 /nfs/dbraw/zinc/03/24/71/559032471.db2.gz UZIFOWQWLMMZCS-UHFFFAOYSA-N 0 1 400.489 3.574 50 0 HHAAMN CCOc1ccccc1N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000023466483 559175829 /nfs/dbraw/zinc/17/58/29/559175829.db2.gz SKKKFWFOKFFSKZ-URXFXBBRSA-N 0 1 410.558 3.662 50 0 HHAAMN CCn1c(C)cc(O)c([C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000024022762 559187850 /nfs/dbraw/zinc/18/78/50/559187850.db2.gz ZNUPVPXZFVJZME-DEOSSOPVSA-N 0 1 421.516 3.933 50 0 HHAAMN CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@@]2([O-])C(F)(F)F ZINC000033436058 559192507 /nfs/dbraw/zinc/19/25/07/559192507.db2.gz OSUFIZIKVFXQCL-XWRVAKJBSA-N 0 1 406.499 3.667 50 0 HHAAMN COCCCNC(=O)CSc1[nH]c(-c2cccc(OC)c2)nc1-c1ccccc1 ZINC000004927835 559208248 /nfs/dbraw/zinc/20/82/48/559208248.db2.gz CSYVTKIUZZKMTA-UHFFFAOYSA-N 0 1 411.527 3.997 50 0 HHAAMN C[C@@H]1C[C@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@]21C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000248098964 559275175 /nfs/dbraw/zinc/27/51/75/559275175.db2.gz ONVIKMVYVZZACB-BDCMKYTISA-N 0 1 421.472 3.502 50 0 HHAAMN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCN(C)CC3)n2)c1 ZINC000061997337 560564961 /nfs/dbraw/zinc/56/49/61/560564961.db2.gz IBKXJKQVFASTGB-UHFFFAOYSA-N 0 1 401.470 3.712 50 0 HHAAMN CCN1CCN(c2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCCC4)CC1 ZINC000005340012 560567295 /nfs/dbraw/zinc/56/72/95/560567295.db2.gz HPICVCVXAJKXSX-UHFFFAOYSA-N 0 1 422.598 3.917 50 0 HHAAMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000024345796 560628676 /nfs/dbraw/zinc/62/86/76/560628676.db2.gz BLXMMMGBLRRLBD-UHFFFAOYSA-N 0 1 405.419 3.928 50 0 HHAAMN COc1cc(OC)c(NS(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000005121002 560737029 /nfs/dbraw/zinc/73/70/29/560737029.db2.gz SVSHDGRNIBKCJL-UHFFFAOYSA-N 0 1 406.685 3.921 50 0 HHAAMN COc1ccc([C@@H]2CCCCCN2[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000103356785 560840912 /nfs/dbraw/zinc/84/09/12/560840912.db2.gz LIFATGKQRGBHTA-UTKZUKDTSA-N 0 1 407.514 3.986 50 0 HHAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1Cl ZINC000085690506 560853109 /nfs/dbraw/zinc/85/31/09/560853109.db2.gz OYZAFTPYHCCJLJ-MRXNPFEDSA-N 0 1 423.904 3.924 50 0 HHAAMN CCc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690566 560853203 /nfs/dbraw/zinc/85/32/03/560853203.db2.gz GQMNWDRXEIJGTH-SFHVURJKSA-N 0 1 403.486 3.525 50 0 HHAAMN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccccc1Br ZINC000024576265 560854191 /nfs/dbraw/zinc/85/41/91/560854191.db2.gz YFXHWCUWPNBUOS-UHFFFAOYSA-N 0 1 406.261 3.832 50 0 HHAAMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000048313577 568439139 /nfs/dbraw/zinc/43/91/39/568439139.db2.gz QEGSNQHVJVWSQO-UHFFFAOYSA-N 0 1 405.322 3.885 50 0 HHAAMN Cc1nc2c(cnn2-c2ccc(F)cc2)c(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000048355068 568441397 /nfs/dbraw/zinc/44/13/97/568441397.db2.gz XAIHYNMIVFMAHX-HUUCEWRRSA-N 0 1 412.513 3.563 50 0 HHAAMN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)n[nH]2)cc1 ZINC000049406701 568449022 /nfs/dbraw/zinc/44/90/22/568449022.db2.gz XFBKGFLWEXKFTD-UHFFFAOYSA-N 0 1 418.497 3.510 50 0 HHAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008132889 568491289 /nfs/dbraw/zinc/49/12/89/568491289.db2.gz ICVCRWSKEOSDMK-OAQYLSRUSA-N 0 1 424.545 3.867 50 0 HHAAMN COc1ccc(NC(=S)N(CCCN2CCN(C)CC2)Cc2cccs2)cc1 ZINC000020107818 568588134 /nfs/dbraw/zinc/58/81/34/568588134.db2.gz ZOJMWVKBQJOXIZ-UHFFFAOYSA-N 0 1 418.632 3.593 50 0 HHAAMN CN1CCN(Cc2c(-c3ccccc3)nnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000020365743 568601284 /nfs/dbraw/zinc/60/12/84/568601284.db2.gz YPQUQKZKHXGKBG-UHFFFAOYSA-N 0 1 401.436 3.701 50 0 HHAAMN CCC[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2CC)CCN1Cc1ccccc1 ZINC000095463283 568622006 /nfs/dbraw/zinc/62/20/06/568622006.db2.gz XBWRVUKLPLISAR-OAQYLSRUSA-N 0 1 417.557 3.956 50 0 HHAAMN O=C(NCc1nc(-c2ccccc2)no1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000095482573 568634671 /nfs/dbraw/zinc/63/46/71/568634671.db2.gz RJBIFEQKBDNYGI-UHFFFAOYSA-N 0 1 410.905 3.918 50 0 HHAAMN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000095483646 568635022 /nfs/dbraw/zinc/63/50/22/568635022.db2.gz QHCXVSALLYBLFZ-CBPXPLCBSA-N 0 1 414.505 3.813 50 0 aggregator HHAAMN CCc1ccccc1NS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCC(C)CC1 ZINC000021030246 568659240 /nfs/dbraw/zinc/65/92/40/568659240.db2.gz AXGPROFRJNQFCI-UHFFFAOYSA-N 0 1 417.575 3.877 50 0 HHAAMN COC(=O)[C@@H]1CCCCC[C@H]1NCc1nnc(-c2ccccc2Br)o1 ZINC000095941465 568662184 /nfs/dbraw/zinc/66/21/84/568662184.db2.gz FLZVHNUJTMWTCM-UKRRQHHQSA-N 0 1 408.296 3.711 50 0 HHAAMN CC[C@H](NCCOC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000096199292 568666269 /nfs/dbraw/zinc/66/62/69/568666269.db2.gz PTVCIRKYPLDLPL-KRWDZBQOSA-N 0 1 416.319 3.835 50 0 HHAAMN CCCN1CCN(C(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)CC1 ZINC000021530711 568710796 /nfs/dbraw/zinc/71/07/96/568710796.db2.gz ILNYNZHZPSMQSE-HSZRJFAPSA-N 0 1 405.542 3.636 50 0 HHAAMN C[C@H](C(=O)NCc1ccco1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096287052 568719389 /nfs/dbraw/zinc/71/93/89/568719389.db2.gz PANNZZHCCSBAHB-HXUWFJFHSA-N 0 1 403.526 3.692 50 0 HHAAMN CSc1ncc(CN2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)cn1 ZINC000012430252 568722339 /nfs/dbraw/zinc/72/23/39/568722339.db2.gz QRGZALZAMYOYIZ-UHFFFAOYSA-N 0 1 410.587 3.776 50 0 HHAAMN CN(C)[C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1cn(C)c2ccccc12 ZINC000021696106 568739723 /nfs/dbraw/zinc/73/97/23/568739723.db2.gz JDYHPGCIJOKVIX-HXUWFJFHSA-N 0 1 405.951 3.554 50 0 HHAAMN CN(C)[C@@H](CNS(=O)(=O)c1cccc2ccccc21)c1cn(C)c2ccccc12 ZINC000021696126 568739731 /nfs/dbraw/zinc/73/97/31/568739731.db2.gz IXZHUVYHYQRUBI-QFIPXVFZSA-N 0 1 407.539 3.913 50 0 HHAAMN CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cn(C)c2ccccc12 ZINC000021696131 568739746 /nfs/dbraw/zinc/73/97/46/568739746.db2.gz JYNIBNLCMVCVCV-IBGZPJMESA-N 0 1 409.914 3.552 50 0 HHAAMN CN(C)[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cn(C)c2ccccc12 ZINC000021696133 568739836 /nfs/dbraw/zinc/73/98/36/568739836.db2.gz JYNIBNLCMVCVCV-LJQANCHMSA-N 0 1 409.914 3.552 50 0 HHAAMN CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cn(C)c2ccccc12 ZINC000021696139 568739842 /nfs/dbraw/zinc/73/98/42/568739842.db2.gz RAHTWHHNWLETGE-HSZRJFAPSA-N 0 1 411.571 3.638 50 0 HHAAMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)cc1 ZINC000096379622 568741190 /nfs/dbraw/zinc/74/11/90/568741190.db2.gz BDIWDAYILDPNOO-UHFFFAOYSA-N 0 1 400.460 3.562 50 0 HHAAMN COc1cccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c1 ZINC000096379686 568741349 /nfs/dbraw/zinc/74/13/49/568741349.db2.gz KNJAVLZZSFCYSM-UHFFFAOYSA-N 0 1 402.476 3.758 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)c(C)c1 ZINC000096379675 568741383 /nfs/dbraw/zinc/74/13/83/568741383.db2.gz DFCSZGMLKRYXLN-UHFFFAOYSA-N 0 1 402.476 3.677 50 0 HHAAMN COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1OC(F)F ZINC000021865540 568755661 /nfs/dbraw/zinc/75/56/61/568755661.db2.gz XLTPMNWKBJRJIB-UHFFFAOYSA-N 0 1 405.445 3.609 50 0 HHAAMN COc1ccc(CC2(CO)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000012457830 568755960 /nfs/dbraw/zinc/75/59/60/568755960.db2.gz BLJKGGOIKGJVPA-UHFFFAOYSA-N 0 1 409.505 3.837 50 0 HHAAMN CC1CCN(Cc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)CC1 ZINC000021880762 568757084 /nfs/dbraw/zinc/75/70/84/568757084.db2.gz JNPRNZJOESTUTM-UHFFFAOYSA-N 0 1 422.602 3.887 50 0 HHAAMN Cc1ccc2nc(SCc3cc(=O)n4cc(Br)ccc4n3)[nH]c2c1 ZINC000002629279 568790117 /nfs/dbraw/zinc/79/01/17/568790117.db2.gz VMXQSKVAIGPYAE-UHFFFAOYSA-N 0 1 401.289 3.934 50 0 HHAAMN Cc1ccc(-c2n[nH]c(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)cc1 ZINC000028856882 568812185 /nfs/dbraw/zinc/81/21/85/568812185.db2.gz ZZUNVUDZFFXQHA-UHFFFAOYSA-N 0 1 402.458 3.776 50 0 HHAAMN CCOC(=O)C1C(CN[C@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057270680 568825439 /nfs/dbraw/zinc/82/54/39/568825439.db2.gz PAKCDGZQQXTOBB-VLIAUNLRSA-N 0 1 413.905 3.862 50 0 HHAAMN CCOC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000005996618 568834732 /nfs/dbraw/zinc/83/47/32/568834732.db2.gz WIOPHIMXKCMKFD-UHFFFAOYSA-N 0 1 417.439 3.587 50 0 HHAAMN C[C@@H](NCCSc1nccn1C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012580312 568864098 /nfs/dbraw/zinc/86/40/98/568864098.db2.gz CDNNXNKCPHLNCK-LLVKDONJSA-N 0 1 417.585 3.890 50 0 HHAAMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000012611647 568871639 /nfs/dbraw/zinc/87/16/39/568871639.db2.gz UPNLGEOSJVTQEN-LBPRGKRZSA-N 0 1 423.307 3.764 50 0 HHAAMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000012611649 568871650 /nfs/dbraw/zinc/87/16/50/568871650.db2.gz UPNLGEOSJVTQEN-GFCCVEGCSA-N 0 1 423.307 3.764 50 0 HHAAMN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000003343785 568884210 /nfs/dbraw/zinc/88/42/10/568884210.db2.gz LBGHWGSRVLVPLG-UHFFFAOYSA-N 0 1 415.361 3.503 50 0 HHAAMN CCOc1ccc(C2=NC(=O)C(CC(=O)Nc3ccccc3F)S2)cc1OC ZINC000008186403 568980466 /nfs/dbraw/zinc/98/04/66/568980466.db2.gz JCXPOJGZPNUXGN-KRWDZBQOSA-N 0 1 402.447 3.650 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015730488 568980914 /nfs/dbraw/zinc/98/09/14/568980914.db2.gz GEUXTPXJZYSEJT-SNVBAGLBSA-N 0 1 412.920 3.972 50 0 HHAAMN Cc1ccc(-c2n[nH]c(SCc3cc(=O)n4nc(CC(C)C)sc4n3)n2)cc1 ZINC000015731854 568982000 /nfs/dbraw/zinc/98/20/00/568982000.db2.gz NZGRTECGIIQQBP-UHFFFAOYSA-N 0 1 412.544 3.735 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccccc2OC)c1 ZINC000008195461 568982264 /nfs/dbraw/zinc/98/22/64/568982264.db2.gz WOVGVKZABYERMF-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN CC[C@H]1CN(CCC(=O)N[C@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000104404768 569008470 /nfs/dbraw/zinc/00/84/70/569008470.db2.gz YEXCSVRASVCNKZ-PBHICJAKSA-N 0 1 403.548 3.701 50 0 HHAAMN CSc1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c1 ZINC000035378109 569034280 /nfs/dbraw/zinc/03/42/80/569034280.db2.gz UWSVITZWMFVNLK-UHFFFAOYSA-N 0 1 407.904 3.613 50 0 HHAAMN COc1cc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)ccc1O ZINC000064450215 569062820 /nfs/dbraw/zinc/06/28/20/569062820.db2.gz PFTIEWAENQBMTJ-INIZCTEOSA-N 0 1 405.454 3.820 50 0 HHAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)c1 ZINC000006744734 569107570 /nfs/dbraw/zinc/10/75/70/569107570.db2.gz IWEKTKLRAVNGRR-QHCPKHFHSA-N 0 1 412.449 3.931 50 0 HHAAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc3c(c2)OCCO3)on1 ZINC000064845558 569108102 /nfs/dbraw/zinc/10/81/02/569108102.db2.gz FCEYUBWJFHFUCT-UHFFFAOYSA-N 0 1 406.485 3.900 50 0 HHAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000006752769 569111325 /nfs/dbraw/zinc/11/13/25/569111325.db2.gz KEHWFWYALYTGSQ-UZUQRXQVSA-N 0 1 419.481 3.905 50 0 HHAAMN CCCn1c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)cc2sc1=O ZINC000064946819 569128561 /nfs/dbraw/zinc/12/85/61/569128561.db2.gz FJWABIFSBHLMLU-UHFFFAOYSA-N 0 1 412.920 3.936 50 0 HHAAMN CCCC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340798 569141472 /nfs/dbraw/zinc/14/14/72/569141472.db2.gz VPISIIBXDVHUJC-NRFANRHFSA-N 0 1 414.569 3.750 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036343534 569143081 /nfs/dbraw/zinc/14/30/81/569143081.db2.gz FBETVJZYXYHBBY-VWLOTQADSA-N 0 1 418.585 3.927 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866722 569159005 /nfs/dbraw/zinc/15/90/05/569159005.db2.gz USDKZRWKVIELHS-AWEZNQCLSA-N 0 1 400.500 3.574 50 0 HHAAMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCCCCC1 ZINC000006908095 569178727 /nfs/dbraw/zinc/17/87/27/569178727.db2.gz CEBGZODEGCZEDM-UHFFFAOYSA-N 0 1 404.580 3.607 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)N(C)C)cc1OC ZINC000006937112 569185255 /nfs/dbraw/zinc/18/52/55/569185255.db2.gz HJNXNAUWRVRJEM-HXUWFJFHSA-N 0 1 400.519 3.771 50 0 HHAAMN O=C(NC[C@H]1CCN(c2ccccc2)C1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000065492780 569232372 /nfs/dbraw/zinc/23/23/72/569232372.db2.gz QMSFHZMUMDOXKD-HXUWFJFHSA-N 0 1 410.537 3.616 50 0 HHAAMN O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000065533812 569234506 /nfs/dbraw/zinc/23/45/06/569234506.db2.gz HYJFLJKEQCUWTP-FQEVSTJZSA-N 0 1 416.569 3.990 50 0 HHAAMN Brc1ccc(CN[C@H]2CCOc3ccccc32)c(N2CCOCC2)c1 ZINC000170591552 569240576 /nfs/dbraw/zinc/24/05/76/569240576.db2.gz PBWOJQVNKGIXFE-SFHVURJKSA-N 0 1 403.320 3.899 50 0 HHAAMN COc1ccc2nc([C@@H](C)NC(=O)[C@H](C)Oc3ccccc3Br)[nH]c2c1 ZINC000170598438 569242562 /nfs/dbraw/zinc/24/25/62/569242562.db2.gz ALMNFFFQMZMFEG-NEPJUHHUSA-N 0 1 418.291 3.979 50 0 HHAAMN COc1ccc2nc([C@H](C)NC(=O)[C@H](C)Oc3ccccc3Br)[nH]c2c1 ZINC000170598437 569242567 /nfs/dbraw/zinc/24/25/67/569242567.db2.gz ALMNFFFQMZMFEG-RYUDHWBXSA-N 0 1 418.291 3.979 50 0 HHAAMN COc1ccc2nc([C@H](C)NC(=O)[C@@H](C)Oc3ccccc3Br)[nH]c2c1 ZINC000170598435 569242586 /nfs/dbraw/zinc/24/25/86/569242586.db2.gz ALMNFFFQMZMFEG-NWDGAFQWSA-N 0 1 418.291 3.979 50 0 HHAAMN COc1ccc2nc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)[nH]c2c1 ZINC000170598441 569242598 /nfs/dbraw/zinc/24/25/98/569242598.db2.gz QHFGKCLWIUUIEZ-IERDGZPVSA-N 0 1 422.529 3.902 50 0 HHAAMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000007505382 569243412 /nfs/dbraw/zinc/24/34/12/569243412.db2.gz XSMMFSSZLFHTLA-CYBMUJFWSA-N 0 1 407.488 3.805 50 0 HHAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccn3)CC2)n[nH]1 ZINC000071009443 569251093 /nfs/dbraw/zinc/25/10/93/569251093.db2.gz HUYHAGCWRMHQMZ-UHFFFAOYSA-N 0 1 405.502 3.613 50 0 HHAAMN CC(C)(C)OC(=O)Nc1cccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000089694233 569262564 /nfs/dbraw/zinc/26/25/64/569262564.db2.gz LUZRVGXPXUTUET-JOCHJYFZSA-N 0 1 411.546 3.885 50 0 HHAAMN CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000089888005 569267728 /nfs/dbraw/zinc/26/77/28/569267728.db2.gz LIOBETPGDOAOQQ-UHFFFAOYSA-N 0 1 402.401 3.656 50 0 HHAAMN COc1c2c(cc3c1[C@H](C[C@H](O)c1ccc(Br)cc1)N(C)CC3)OCO2 ZINC000002115019 569284466 /nfs/dbraw/zinc/28/44/66/569284466.db2.gz BVCMOJHQNDYZII-HOTGVXAUSA-N 0 1 420.303 3.839 50 0 biogenic HHAAMN CCc1ccc(OCC(=O)NC2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000170648629 569292395 /nfs/dbraw/zinc/29/23/95/569292395.db2.gz RAAISYQENRTMLJ-UHFFFAOYSA-N 0 1 400.494 3.556 50 0 HHAAMN Cc1cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)ccc1Br ZINC000007726671 569303340 /nfs/dbraw/zinc/30/33/40/569303340.db2.gz JRGNZSWVWWBQJN-UHFFFAOYSA-N 0 1 409.305 3.685 50 0 HHAAMN N=C1Nc2nc3cc4c(cc3n2C2(CCC(c3ccccc3)CC2)N1)OCCCO4 ZINC000007738309 569305133 /nfs/dbraw/zinc/30/51/33/569305133.db2.gz NJOGYWNDBJISSL-UHFFFAOYSA-N 0 1 403.486 3.758 50 0 HHAAMN C[C@@H](OC(=O)c1cc2[nH]cnc2cc1F)c1nc2cc(Br)cnc2[nH]1 ZINC000328596531 569416179 /nfs/dbraw/zinc/41/61/79/569416179.db2.gz AGEDFCBNEYMCEE-SSDOTTSWSA-N 0 1 404.199 3.654 50 0 HHAAMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000078995733 569423194 /nfs/dbraw/zinc/42/31/94/569423194.db2.gz PINXXAZZMJLSJF-KRWDZBQOSA-N 0 1 424.932 3.968 50 0 HHAAMN COc1ccc(CNC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000079024395 569424634 /nfs/dbraw/zinc/42/46/34/569424634.db2.gz JJYFSVXSZXCTHI-QUCCMNQESA-N 0 1 402.560 3.741 50 0 HHAAMN O=C(c1[nH]nnc1Nc1cccc(Cl)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000067284691 571063696 /nfs/dbraw/zinc/06/36/96/571063696.db2.gz XEGNBHYZCOBBFB-UHFFFAOYSA-N 0 1 417.300 3.818 50 0 HHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1nccnc1-c1nc2ccccc2s1 ZINC000008778266 571118517 /nfs/dbraw/zinc/11/85/17/571118517.db2.gz CXCHDJUPYZTQEY-INIZCTEOSA-N 0 1 419.510 3.913 50 0 HHAAMN C[C@H](Cc1cccc(Cl)c1)NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000040113087 571171253 /nfs/dbraw/zinc/17/12/53/571171253.db2.gz FCCVAIINQFMEGY-CYBMUJFWSA-N 0 1 401.919 3.850 50 0 HHAAMN CCOc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2OC)cc1 ZINC000040146698 571196450 /nfs/dbraw/zinc/19/64/50/571196450.db2.gz TVTAPHWIADTXON-UHFFFAOYSA-N 0 1 400.294 3.966 50 0 HHAAMN O=C(Nc1ccc(F)cc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009151983 571230774 /nfs/dbraw/zinc/23/07/74/571230774.db2.gz XQCFEMYUSYCKAN-UHFFFAOYSA-N 0 1 405.838 3.927 50 0 HHAAMN CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 ZINC000070635158 571270435 /nfs/dbraw/zinc/27/04/35/571270435.db2.gz GGNPEDFMNITUKO-CQSZACIVSA-N 0 1 418.500 3.879 50 0 HHAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)n1C ZINC000009684668 571279561 /nfs/dbraw/zinc/27/95/61/571279561.db2.gz DIJVDQHAOKCAOW-UHFFFAOYSA-N 0 1 409.939 3.641 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1C ZINC000009685058 571279709 /nfs/dbraw/zinc/27/97/09/571279709.db2.gz IGFHMPHUROUKIV-UHFFFAOYSA-N 0 1 417.575 3.994 50 0 HHAAMN COc1ccc2nc(NC(=O)c3cn[nH]c3-c3ccc4c(c3)OCCO4)sc2c1 ZINC000010127023 571295299 /nfs/dbraw/zinc/29/52/99/571295299.db2.gz BESHAEQNESALFK-UHFFFAOYSA-N 0 1 408.439 3.719 50 0 HHAAMN CCOc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccc(C)cc2)c1O ZINC000010166815 571295746 /nfs/dbraw/zinc/29/57/46/571295746.db2.gz ZQVVQPGNRYHFMU-UHFFFAOYSA-N 0 1 402.454 3.982 50 0 HHAAMN CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000010214424 571296864 /nfs/dbraw/zinc/29/68/64/571296864.db2.gz CXEDLZKMBBJOOW-LJQANCHMSA-N 0 1 421.497 3.779 50 0 HHAAMN Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4ccccn4)N4CCC[C@@]34C2=O)o1 ZINC000011668208 962158822 /nfs/dbraw/zinc/15/88/22/962158822.db2.gz IIOYNGSMAXLYKZ-XZOYJPPVSA-N 0 1 402.498 3.712 50 0 HHAAMN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@H]2CCCCN2C)C3)c1 ZINC000011995945 962220512 /nfs/dbraw/zinc/22/05/12/962220512.db2.gz LWHZBPGVISUMPF-WMZHIEFXSA-N 0 1 424.516 3.908 50 0 HHAAMN COc1cccc(N2C[C@@H]3C[C@@H](c4ccc(OC)c(OC)c4)N4CCC[C@@]34C2=O)c1 ZINC000012571985 962293646 /nfs/dbraw/zinc/29/36/46/962293646.db2.gz ZVPLYRIOCTWLAC-REIDKSKDSA-N 0 1 408.498 3.655 50 0 HHAAMN Cc1csc(CN(C)[C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000014965740 962614814 /nfs/dbraw/zinc/61/48/14/962614814.db2.gz WMDDMEQNLBPIGF-HNNXBMFYSA-N 0 1 421.950 3.847 50 0 HHAAMN O=C(Nc1ccc2c(c1)CN(Cc1nc3ccc(F)cc3[nH]1)CC2)c1ccccn1 ZINC000020515355 963389625 /nfs/dbraw/zinc/38/96/25/963389625.db2.gz LNSQFTOKGRPPRI-UHFFFAOYSA-N 0 1 401.445 3.908 50 0 HHAAMN C[C@H]1CN(CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000039510070 966495431 /nfs/dbraw/zinc/49/54/31/966495431.db2.gz GEAJAEVKGHTLRC-JXFKEZNVSA-N 0 1 402.922 3.505 50 0 HHAAMN C[C@H](c1ccon1)N(C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000042628380 966813483 /nfs/dbraw/zinc/81/34/83/966813483.db2.gz YOHOSSXKWIEJSP-UKRRQHHQSA-N 0 1 405.882 3.631 50 0 HHAAMN CC[C@@H](C)N1CCN(C(=O)c2c(C)oc3c2CN(Cc2cccc(F)c2)CC3)CC1 ZINC000107472716 969310042 /nfs/dbraw/zinc/31/00/42/969310042.db2.gz LOUOWPSSXKEYFH-QGZVFWFLSA-N 0 1 413.537 3.842 50 0 HHAAMN Cc1ccc(-c2cc(N3CCC(CNC(=O)c4[nH]nc5c4CCCC5)CC3)n[nH]2)cc1 ZINC000169781179 970480606 /nfs/dbraw/zinc/48/06/06/970480606.db2.gz NXTYUERFLGAWGX-UHFFFAOYSA-N 0 1 418.545 3.633 50 0 HHAAMN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000009377859 132339225 /nfs/dbraw/zinc/33/92/25/132339225.db2.gz FARMLZSSAAAWBT-UHFFFAOYSA-N 0 1 423.520 3.949 50 0 HHAAMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000012605128 132364978 /nfs/dbraw/zinc/36/49/78/132364978.db2.gz LWFQANHQFIIRSV-UHFFFAOYSA-N 0 1 414.358 3.936 50 0 HHAAMN CSc1ccccc1NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012736224 132366308 /nfs/dbraw/zinc/36/63/08/132366308.db2.gz RNGSMVQHCKXNTE-UHFFFAOYSA-N 0 1 424.492 3.973 50 0 HHAAMN O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccccc2)CC1 ZINC000019797628 518203431 /nfs/dbraw/zinc/20/34/31/518203431.db2.gz PQCSELLABGCGED-SYQRAZLKSA-N 0 1 412.618 3.788 50 0 HHAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C)cc3)c(Br)cc2C[C@H]1C ZINC000040450725 519639021 /nfs/dbraw/zinc/63/90/21/519639021.db2.gz XTMVRXKERYMHQJ-GFCCVEGCSA-N 0 1 423.332 3.856 50 0 HHAAMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000040478264 521979040 /nfs/dbraw/zinc/97/90/40/521979040.db2.gz SJJFDQCRBKQQGE-UHFFFAOYSA-N 0 1 413.817 3.556 50 0 HHAAMN CNC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032903091 524080050 /nfs/dbraw/zinc/08/00/50/524080050.db2.gz FXIRTIQMGVUVMQ-UHFFFAOYSA-N 0 1 407.801 3.911 50 0 HHAAMN Cc1ccc(CN2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)cc1 ZINC000020601778 524458196 /nfs/dbraw/zinc/45/81/96/524458196.db2.gz MEZUOHRSBTYQEF-QHCPKHFHSA-N 0 1 418.541 3.646 50 0 HHAAMN COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)ccc1OCCC(C)C ZINC000012780104 536533038 /nfs/dbraw/zinc/53/30/38/536533038.db2.gz TXFIMDWQFMEVCY-UHFFFAOYSA-N 0 1 412.534 3.519 50 0 HHAAMN CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001062080 557164412 /nfs/dbraw/zinc/16/44/12/557164412.db2.gz OAZUYVHBKGGAJN-QFIPXVFZSA-N 0 1 405.498 3.537 50 0 HHAAMN CCOC(=O)[C@@](NC(C)=O)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000002344629 557338824 /nfs/dbraw/zinc/33/88/24/557338824.db2.gz QDEUCTBZZLTRQV-GFCCVEGCSA-N 0 1 406.710 3.729 50 0 HHAAMN CSCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000005008660 557624960 /nfs/dbraw/zinc/62/49/60/557624960.db2.gz VHASMCJGKPHFGN-HXUWFJFHSA-N 0 1 412.511 3.800 50 0 HHAAMN O=C1c2cccc3cccc(c32)C(=O)N1CCc1n[nH]c(=S)n1-c1ccccc1 ZINC000006400002 557701364 /nfs/dbraw/zinc/70/13/64/557701364.db2.gz AYAUBWSUZRFVQO-UHFFFAOYSA-N 0 1 400.463 3.922 50 0 HHAAMN COc1cccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCN(C)CC3)c1 ZINC000002715995 557750002 /nfs/dbraw/zinc/75/00/02/557750002.db2.gz DXBLITKPYFTHEC-UHFFFAOYSA-N 0 1 411.502 3.529 50 0 HHAAMN COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000009111599 557824325 /nfs/dbraw/zinc/82/43/25/557824325.db2.gz WUVMDOTXWZTAOT-SFHVURJKSA-N 0 1 423.416 3.878 50 0 HHAAMN COc1ccc(CN2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c(F)c1 ZINC000011820703 558283906 /nfs/dbraw/zinc/28/39/06/558283906.db2.gz CTSLFEBFVCHYSK-LJQANCHMSA-N 0 1 413.537 3.923 50 0 HHAAMN Cn1cc(CN2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cn1 ZINC000011881638 558295244 /nfs/dbraw/zinc/29/52/44/558295244.db2.gz TWNLWEGXBIHYRJ-QFIPXVFZSA-N 0 1 406.574 3.650 50 0 HHAAMN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CNC[C@H]1CCCO1 ZINC000011910436 558296706 /nfs/dbraw/zinc/29/67/06/558296706.db2.gz BSUKXFZRZCQEKA-OAHLLOKOSA-N 0 1 414.893 3.519 50 0 HHAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000011936476 558300414 /nfs/dbraw/zinc/30/04/14/558300414.db2.gz KIDWAHSOZDQFTR-SFHVURJKSA-N 0 1 419.481 3.909 50 0 HHAAMN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000011957626 558303893 /nfs/dbraw/zinc/30/38/93/558303893.db2.gz AGFAQAJHGMIHIO-JOCHJYFZSA-N 0 1 419.953 3.996 50 0 HHAAMN Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2nc1CN1CCCC1 ZINC000020029270 558323508 /nfs/dbraw/zinc/32/35/08/558323508.db2.gz QZSZPPPCXNBDHU-UHFFFAOYSA-N 0 1 404.923 3.623 50 0 HHAAMN Fc1ccc(N2CCN([C@H]3CCCN(Cc4nc(-c5ccccc5)no4)C3)CC2)cc1 ZINC000020109822 558335321 /nfs/dbraw/zinc/33/53/21/558335321.db2.gz OWTXSHPEZAHJHK-QFIPXVFZSA-N 0 1 421.520 3.662 50 0 HHAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012191254 558347554 /nfs/dbraw/zinc/34/75/54/558347554.db2.gz LPQVMYFSOAYQKR-UHFFFAOYSA-N 0 1 424.570 3.797 50 0 HHAAMN Cc1c(C(=O)NCc2ccco2)cc(-c2ccccc2)n1CCCN1CCOCC1 ZINC000020224143 558349398 /nfs/dbraw/zinc/34/93/98/558349398.db2.gz ITFXQLUUMJQNRC-UHFFFAOYSA-N 0 1 407.514 3.709 50 0 HHAAMN COCc1cc(CN(C)C(=O)c2csc3nc(-c4cc(C)ccc4C)cn23)n[nH]1 ZINC000012316781 558379806 /nfs/dbraw/zinc/37/98/06/558379806.db2.gz JEFYFFYGTUYKCQ-UHFFFAOYSA-N 0 1 409.515 3.821 50 0 HHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cccc4ccccc42)C(=O)N3)cc1 ZINC000020721155 558402697 /nfs/dbraw/zinc/40/26/97/558402697.db2.gz SELXROXHZGQHJJ-LJQANCHMSA-N 0 1 413.437 3.629 50 0 HHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cccc4ccccc42)C(=O)N3)cc1 ZINC000020721158 558402756 /nfs/dbraw/zinc/40/27/56/558402756.db2.gz SELXROXHZGQHJJ-IBGZPJMESA-N 0 1 413.437 3.629 50 0 HHAAMN COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCCN24)ccc1O ZINC000012429803 558404710 /nfs/dbraw/zinc/40/47/10/558404710.db2.gz UOXSWFLNWOGCLO-LLDIVWLWSA-N 0 1 408.498 3.581 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2F)c1 ZINC000020728706 558405744 /nfs/dbraw/zinc/40/57/44/558405744.db2.gz LRKBWKNMUJQSOO-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN CCOc1ccc(CN2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO ZINC000012439615 558411101 /nfs/dbraw/zinc/41/11/01/558411101.db2.gz SFOWJLJQRVAIDN-SFHVURJKSA-N 0 1 401.478 3.820 50 0 HHAAMN O=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012442000 558412650 /nfs/dbraw/zinc/41/26/50/558412650.db2.gz LBGHTQIBYWEIMB-HXUWFJFHSA-N 0 1 404.449 3.514 50 0 HHAAMN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(C)[C@@H](c2ccccc2)C1 ZINC000020909885 558421828 /nfs/dbraw/zinc/42/18/28/558421828.db2.gz OUKOGGNFXGTROH-OAQYLSRUSA-N 0 1 419.573 3.695 50 0 HHAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004345739 558427337 /nfs/dbraw/zinc/42/73/37/558427337.db2.gz OBKVEWXYULGGIQ-STZFKDTASA-N 0 1 416.481 3.932 50 0 HHAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)o1 ZINC000012586589 558434094 /nfs/dbraw/zinc/43/40/94/558434094.db2.gz UPNQFMNVZIGERK-JOCHJYFZSA-N 0 1 412.559 3.767 50 0 HHAAMN O=S(=O)(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000012824767 558477781 /nfs/dbraw/zinc/47/77/81/558477781.db2.gz HFAINIWGDKWDMX-UHFFFAOYSA-N 0 1 421.368 3.729 50 0 HHAAMN Cc1ccc(CN(C)C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000022771720 558508603 /nfs/dbraw/zinc/50/86/03/558508603.db2.gz JQGJHKNDRRXGJD-UHFFFAOYSA-N 0 1 417.553 3.954 50 0 HHAAMN CCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(F)cc3)CC1)n2C ZINC000013540608 558537500 /nfs/dbraw/zinc/53/75/00/558537500.db2.gz PIQMZEIGBIEFJO-UHFFFAOYSA-N 0 1 423.536 3.816 50 0 HHAAMN Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023846735 558577711 /nfs/dbraw/zinc/57/77/11/558577711.db2.gz DSAKIMGOAHXOPM-UHFFFAOYSA-N 0 1 415.537 3.613 50 0 HHAAMN Cc1[nH]c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc1Cc1ccccc1 ZINC000004492517 558609775 /nfs/dbraw/zinc/60/97/75/558609775.db2.gz HNLVRCWZHAPPMU-OAHLLOKOSA-N 0 1 409.511 3.835 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)N2CCCC2)cc1 ZINC000014094462 558619478 /nfs/dbraw/zinc/61/94/78/558619478.db2.gz OQJRWGROZLZHNA-SFHVURJKSA-N 0 1 402.878 3.644 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ncc(C)s2)cc1 ZINC000024924905 558620656 /nfs/dbraw/zinc/62/06/56/558620656.db2.gz OMVPLSREGYGTBE-UHFFFAOYSA-N 0 1 403.485 3.513 50 0 HHAAMN COc1cc(OC)c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1OC ZINC000014230815 558639865 /nfs/dbraw/zinc/63/98/65/558639865.db2.gz JVEQNJYXBZQQGW-KRWDZBQOSA-N 0 1 418.559 3.977 50 0 HHAAMN CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1 ZINC000014244157 558645779 /nfs/dbraw/zinc/64/57/79/558645779.db2.gz OLHBGBXCXPYQQR-UHFFFAOYSA-N 0 1 412.983 3.662 50 0 HHAAMN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccsc1 ZINC000025813563 558650687 /nfs/dbraw/zinc/65/06/87/558650687.db2.gz SEWXKQDNQNIKJV-QGZVFWFLSA-N 0 1 419.348 3.933 50 0 HHAAMN O=c1oc2ccccc2n1CCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000026035047 558653950 /nfs/dbraw/zinc/65/39/50/558653950.db2.gz OFHLUYTUSRSUSO-UHFFFAOYSA-N 0 1 417.288 3.934 50 0 HHAAMN CC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccc(O)c3)CC2)C1=O ZINC000014741942 558667364 /nfs/dbraw/zinc/66/73/64/558667364.db2.gz OBTXDATYQHDJSS-UHFFFAOYSA-N 0 1 421.541 3.847 50 0 HHAAMN COc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1 ZINC000014956774 558682735 /nfs/dbraw/zinc/68/27/35/558682735.db2.gz FOMPIYRXAGQVCI-QFIPXVFZSA-N 0 1 408.542 3.824 50 0 HHAAMN CCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cn1 ZINC000014976248 558689239 /nfs/dbraw/zinc/68/92/39/558689239.db2.gz KAUHJCPWWQWSJV-UHFFFAOYSA-N 0 1 418.545 3.692 50 0 HHAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C)c(Br)c1 ZINC000028196705 558692258 /nfs/dbraw/zinc/69/22/58/558692258.db2.gz LLLMWWHKOXCIOP-UHFFFAOYSA-N 0 1 416.268 3.874 50 0 HHAAMN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004578113 558754450 /nfs/dbraw/zinc/75/44/50/558754450.db2.gz DUKKLCXROMDWSL-UHFFFAOYSA-N 0 1 424.994 3.624 50 0 HHAAMN CCN(Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305221 558757803 /nfs/dbraw/zinc/75/78/03/558757803.db2.gz LTDMZPPJRBOQNR-IBGZPJMESA-N 0 1 421.570 3.794 50 0 HHAAMN Cc1[nH]ncc1CN(CC(=O)NCCCO[C@@H](C)c1ccccc1)c1ccc(O)cc1 ZINC000072308474 558769422 /nfs/dbraw/zinc/76/94/22/558769422.db2.gz OFJLGMMSJAVSDH-IBGZPJMESA-N 0 1 422.529 3.714 50 0 HHAAMN COc1cccc(CCNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000032977931 558803572 /nfs/dbraw/zinc/80/35/72/558803572.db2.gz YNAUURJXNXEEND-UHFFFAOYSA-N 0 1 412.921 3.800 50 0 HHAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3nnc(-c4ccccc4)s3)n2)cc1 ZINC000017028233 558812229 /nfs/dbraw/zinc/81/22/29/558812229.db2.gz JRYULIPGYPQVNV-UHFFFAOYSA-N 0 1 424.511 3.730 50 0 HHAAMN c1c(-c2ccc3c(c2)OCO3)n[nH]c1-c1nc2c3c4c(sc3ncn2n1)CCC4 ZINC000017082366 558814438 /nfs/dbraw/zinc/81/44/38/558814438.db2.gz QAGLGHFBAMCOQZ-UHFFFAOYSA-N 0 1 402.439 3.614 50 0 HHAAMN CCC(=O)NCCCOc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1 ZINC000055100297 558872505 /nfs/dbraw/zinc/87/25/05/558872505.db2.gz ZJTJYIWUXANENH-UHFFFAOYSA-N 0 1 409.574 3.921 50 0 HHAAMN CC1CCN(Cc2nnc(-c3cn(CC(=O)NC4CCCC4)c4ccccc34)o2)CC1 ZINC000033129359 558885287 /nfs/dbraw/zinc/88/52/87/558885287.db2.gz QKKAQVOWFVONFA-UHFFFAOYSA-N 0 1 421.545 3.982 50 0 HHAAMN O=S(=O)(Nc1ccccc1-c1cccs1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000058135767 558900970 /nfs/dbraw/zinc/90/09/70/558900970.db2.gz GMECQWINDRXXIA-GOSISDBHSA-N 0 1 405.522 3.685 50 0 HHAAMN CC(C)[C@@H](NC(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000058183226 558910423 /nfs/dbraw/zinc/91/04/23/558910423.db2.gz SNUIPXGYCRDILO-OAQYLSRUSA-N 0 1 403.567 3.737 50 0 HHAAMN CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1C ZINC000058186103 558910452 /nfs/dbraw/zinc/91/04/52/558910452.db2.gz NCHWQWDXHGXUBV-UHFFFAOYSA-N 0 1 402.252 3.634 50 0 HHAAMN Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)co1 ZINC000072404197 558970355 /nfs/dbraw/zinc/97/03/55/558970355.db2.gz GUOFQVAXBOVNBS-UHFFFAOYSA-N 0 1 403.438 3.627 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000072441899 558982027 /nfs/dbraw/zinc/98/20/27/558982027.db2.gz GKZONTHZNHMYAO-UHFFFAOYSA-N 0 1 407.440 3.636 50 0 HHAAMN Cc1nc([C@H](C)NC(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)n[nH]1 ZINC000067446992 558986604 /nfs/dbraw/zinc/98/66/04/558986604.db2.gz KTTFVGGUFBNTHM-VIFPVBQESA-N 0 1 420.420 3.999 50 0 HHAAMN O=C(Cc1ccc(O)cc1)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067490789 558986979 /nfs/dbraw/zinc/98/69/79/558986979.db2.gz WYWCVCZIKYEFPH-UHFFFAOYSA-N 0 1 402.429 3.842 50 0 HHAAMN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067867851 558994179 /nfs/dbraw/zinc/99/41/79/558994179.db2.gz XLPVHYOWKLMQHX-CYBMUJFWSA-N 0 1 400.841 3.577 50 0 HHAAMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCC(=O)NCc1ccccn1 ZINC000097139565 558996795 /nfs/dbraw/zinc/99/67/95/558996795.db2.gz NJEYPDHLTHVOEQ-UHFFFAOYSA-N 0 1 418.328 3.679 50 0 HHAAMN Cc1c(S(=O)(=O)[N-]c2cccc3c2CC[N@@H+](C)C3)cnn1-c1ccc(Cl)cc1 ZINC000097212623 559012413 /nfs/dbraw/zinc/01/24/13/559012413.db2.gz LPULALCSMCNTTB-UHFFFAOYSA-N 0 1 416.934 3.623 50 0 HHAAMN Cc1c(S(=O)(=O)[N-]c2cccc3c2CC[N@H+](C)C3)cnn1-c1ccc(Cl)cc1 ZINC000097212623 559012415 /nfs/dbraw/zinc/01/24/15/559012415.db2.gz LPULALCSMCNTTB-UHFFFAOYSA-N 0 1 416.934 3.623 50 0 HHAAMN Cc1c2cc(CNC(=O)[C@H](C)CN3CCOCC3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000082106900 559038254 /nfs/dbraw/zinc/03/82/54/559038254.db2.gz OOSNBQHZAURYTE-MRXNPFEDSA-N 0 1 409.505 3.867 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3(O)C(F)(F)F)n[nH]2)c(C)c1 ZINC000033327075 559059658 /nfs/dbraw/zinc/05/96/58/559059658.db2.gz NQZXPVCBMDQAAV-KUHUBIRLSA-N 0 1 406.408 3.946 50 0 HHAAMN COc1cccc(CN2C[C@H](c3nc(-c4ccc5[nH]cnc5c4)no3)CCC2=O)c1 ZINC000091649778 559072632 /nfs/dbraw/zinc/07/26/32/559072632.db2.gz ITLUQZWLORMSLQ-MRXNPFEDSA-N 0 1 403.442 3.528 50 0 HHAAMN CN(C)[C@@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccc(F)c1 ZINC000011603842 559113177 /nfs/dbraw/zinc/11/31/77/559113177.db2.gz DMBYNACQRXXPOU-FQEVSTJZSA-N 0 1 410.493 3.602 50 0 HHAAMN CCOc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000023466481 559175807 /nfs/dbraw/zinc/17/58/07/559175807.db2.gz SKKKFWFOKFFSKZ-XUZZJYLKSA-N 0 1 410.558 3.662 50 0 HHAAMN COCCNC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000004927825 559208258 /nfs/dbraw/zinc/20/82/58/559208258.db2.gz QVVXMNJUDXQNPZ-UHFFFAOYSA-N 0 1 415.490 3.746 50 0 HHAAMN CCc1ccc(-n2c3nc(SCC4OCCO4)[nH]c(=O)c3sc2=S)cc1 ZINC000005091911 559243862 /nfs/dbraw/zinc/24/38/62/559243862.db2.gz OTCUSWVYWIFVPN-UHFFFAOYSA-N 0 1 407.542 3.944 50 0 HHAAMN CN(C)CCN(C(=O)CCc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005121486 559248532 /nfs/dbraw/zinc/24/85/32/559248532.db2.gz UFGIPMGUSMKWTF-UHFFFAOYSA-N 0 1 411.527 3.595 50 0 HHAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)CCOc3ccccc3)nc21 ZINC000005121685 559248578 /nfs/dbraw/zinc/24/85/78/559248578.db2.gz CNMNMTRELUTESR-UHFFFAOYSA-N 0 1 413.543 3.977 50 0 HHAAMN Cn1cccc1[C@H](CNS(=O)(=O)Cc1cccc(Cl)c1)N1CCCCCC1 ZINC000011897846 559265452 /nfs/dbraw/zinc/26/54/52/559265452.db2.gz LFRUBOQLYAJEFL-FQEVSTJZSA-N 0 1 409.983 3.715 50 0 HHAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)c1 ZINC000011916392 559267315 /nfs/dbraw/zinc/26/73/15/559267315.db2.gz FEVJVQXLROIRMC-QHCPKHFHSA-N 0 1 421.497 3.807 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000003316589 560592190 /nfs/dbraw/zinc/59/21/90/560592190.db2.gz ODNRYOYOQJMEGG-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2)cc1 ZINC000005505262 560598744 /nfs/dbraw/zinc/59/87/44/560598744.db2.gz NOUKMACKYPZQTQ-LJQANCHMSA-N 0 1 408.527 3.726 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000017889152 560729946 /nfs/dbraw/zinc/72/99/46/560729946.db2.gz VFUQTHVFXSUIAI-IYBDPMFKSA-N 0 1 416.543 3.923 50 0 HHAAMN COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 ZINC000100902982 560762397 /nfs/dbraw/zinc/76/23/97/560762397.db2.gz VMSPJWIOVOTBEH-IRLDBZIGSA-N 0 1 415.424 3.617 50 0 HHAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000018178359 560781542 /nfs/dbraw/zinc/78/15/42/560781542.db2.gz DVRPZJPCGJGFTH-VSKRKVRLSA-N 0 1 418.424 3.885 50 0 HHAAMN CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S ZINC000101456093 560795387 /nfs/dbraw/zinc/79/53/87/560795387.db2.gz APPRWOYPIYLXIJ-HNNXBMFYSA-N 0 1 420.922 3.763 50 0 HHAAMN CCCNC(=O)c1ccc(Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[nH]c2=S)cc1 ZINC000101497340 560796455 /nfs/dbraw/zinc/79/64/55/560796455.db2.gz ZYUKFZDXEPNOPH-UHFFFAOYSA-N 0 1 422.510 3.737 50 0 HHAAMN C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1c(F)cccc1C[C@]21C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000103406127 560841708 /nfs/dbraw/zinc/84/17/08/560841708.db2.gz ONVIKMVYVZZACB-BMZLUOIXSA-N 0 1 421.472 3.502 50 0 HHAAMN C[C@@H]1CCC[C@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)N2)[C@H]1C ZINC000103869506 560844854 /nfs/dbraw/zinc/84/48/54/560844854.db2.gz WVLBZGJIXNDCCS-PMPSAXMXSA-N 0 1 405.564 3.756 50 0 HHAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000085690427 560852893 /nfs/dbraw/zinc/85/28/93/560852893.db2.gz PKWQKALJVGYVLQ-OAHLLOKOSA-N 0 1 409.877 3.616 50 0 HHAAMN CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982501 560858775 /nfs/dbraw/zinc/85/87/75/560858775.db2.gz FCTWSSQCXSTXJF-NHCUHLMSSA-N 0 1 402.922 3.733 50 0 HHAAMN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1)c1ccccc1Br ZINC000012197190 560891509 /nfs/dbraw/zinc/89/15/09/560891509.db2.gz XPTBHSDBERJIKJ-KRWDZBQOSA-N 0 1 417.303 3.745 50 0 HHAAMN CCCn1c2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2sc1=O ZINC000046017525 568423756 /nfs/dbraw/zinc/42/37/56/568423756.db2.gz QLPYWMQEVIKHGT-UHFFFAOYSA-N 0 1 412.920 3.936 50 0 HHAAMN CCCCc1nn2c(nc(CN(CC)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032466 568424612 /nfs/dbraw/zinc/42/46/12/568424612.db2.gz XMGDZXHYYZCRDY-UHFFFAOYSA-N 0 1 400.548 3.914 50 0 HHAAMN CCCCc1nn2c(nc(CN(CCC)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032298 568424729 /nfs/dbraw/zinc/42/47/29/568424729.db2.gz MYWYTYBDKOTHKQ-UHFFFAOYSA-N 0 1 400.548 3.914 50 0 HHAAMN O=C(CC1CCCCC1)NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000049406598 568448995 /nfs/dbraw/zinc/44/89/95/568448995.db2.gz OEUNLLRQSFUYMS-UHFFFAOYSA-N 0 1 412.509 3.907 50 0 HHAAMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Nc2ncccn2)c1 ZINC000095476873 568630824 /nfs/dbraw/zinc/63/08/24/568630824.db2.gz MBYIXCOCOPKRIF-UHFFFAOYSA-N 0 1 405.477 3.754 50 0 HHAAMN COCc1n[nH]c(-c2ccc(NC(=O)Cc3ccccc3OC(F)(F)F)cc2)n1 ZINC000095482680 568634612 /nfs/dbraw/zinc/63/46/12/568634612.db2.gz SBDZGNPEODRIDV-UHFFFAOYSA-N 0 1 406.364 3.698 50 0 HHAAMN COC(=O)c1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)sc1C(C)C ZINC000096118128 568697692 /nfs/dbraw/zinc/69/76/92/568697692.db2.gz SXBZSAMZFNXIPT-UHFFFAOYSA-N 0 1 412.471 3.630 50 0 HHAAMN COc1ccc(OC)c2[nH]c(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc21 ZINC000096118307 568697750 /nfs/dbraw/zinc/69/77/50/568697750.db2.gz XDXZPRCCUWGMQU-UHFFFAOYSA-N 0 1 411.477 3.719 50 0 HHAAMN O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000096118543 568698187 /nfs/dbraw/zinc/69/81/87/568698187.db2.gz SVIYARKAMBJORV-UHFFFAOYSA-N 0 1 413.481 3.908 50 0 HHAAMN O=C(NC1CCCCCCC1)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324561 568733989 /nfs/dbraw/zinc/73/39/89/568733989.db2.gz PBSHNYZYTOYXTG-UHFFFAOYSA-N 0 1 409.534 3.553 50 0 HHAAMN O=C(NC1CCCCCCC1)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324659 568734184 /nfs/dbraw/zinc/73/41/84/568734184.db2.gz BQJPEEVMZVLYOZ-UHFFFAOYSA-N 0 1 409.534 3.553 50 0 HHAAMN COc1ccccc1NC(=O)c1cncc(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021931974 568761717 /nfs/dbraw/zinc/76/17/17/568761717.db2.gz AJZLFOTWVOVSHE-UHFFFAOYSA-N 0 1 411.483 3.760 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC(F)F ZINC000029327452 568824311 /nfs/dbraw/zinc/82/43/11/568824311.db2.gz YTJXADGZIAPAFO-UHFFFAOYSA-N 0 1 413.320 3.996 50 0 HHAAMN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cn[nH]c1-c1ccccc1 ZINC000012531587 568844133 /nfs/dbraw/zinc/84/41/33/568844133.db2.gz NEIATJDPJCNJLQ-UHFFFAOYSA-N 0 1 405.483 3.775 50 0 HHAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=N)Nc3nc4ccccc4n32)o1 ZINC000012539440 568846830 /nfs/dbraw/zinc/84/68/30/568846830.db2.gz RQEHGBQOLRSJPS-NRFANRHFSA-N 0 1 409.453 3.887 50 0 HHAAMN C[C@@H]1CN(CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000012544217 568849518 /nfs/dbraw/zinc/84/95/18/568849518.db2.gz DUUNTDYLEABOFZ-HDICACEKSA-N 0 1 404.514 3.526 50 0 HHAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000030361155 568861993 /nfs/dbraw/zinc/86/19/93/568861993.db2.gz CHGNBCYVJZLZIM-UHFFFAOYSA-N 0 1 421.994 3.529 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1C ZINC000003326240 568881355 /nfs/dbraw/zinc/88/13/55/568881355.db2.gz OFSXQGMYQNKMEE-UHFFFAOYSA-N 0 1 402.516 3.821 50 0 HHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008040256 568970445 /nfs/dbraw/zinc/97/04/45/568970445.db2.gz OTXIXHFBCWPRIT-GOSISDBHSA-N 0 1 401.894 3.627 50 0 HHAAMN CCN(CC)C(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 ZINC000008231073 568984112 /nfs/dbraw/zinc/98/41/12/568984112.db2.gz JFXKAEZXWCDHAR-UHFFFAOYSA-N 0 1 415.544 3.746 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-n3nccc3C)cc2)N2CCCC2)cc1 ZINC000008264934 568985912 /nfs/dbraw/zinc/98/59/12/568985912.db2.gz VYZQEVDDHNRYCM-HSZRJFAPSA-N 0 1 404.514 3.756 50 0 HHAAMN Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)no1 ZINC000008367121 568995487 /nfs/dbraw/zinc/99/54/87/568995487.db2.gz IKYQKYHUOIBJGQ-GOSISDBHSA-N 0 1 408.527 3.675 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)n[nH]1 ZINC000038518558 568997971 /nfs/dbraw/zinc/99/79/71/568997971.db2.gz QCHSFLKMUYENIT-UHFFFAOYSA-N 0 1 419.441 3.748 50 0 HHAAMN COc1ccccc1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664731 569006640 /nfs/dbraw/zinc/00/66/40/569006640.db2.gz MIKVIKHHDSKPHU-UHFFFAOYSA-N 0 1 417.434 3.644 50 0 HHAAMN CC(C)[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012865558 569012109 /nfs/dbraw/zinc/01/21/09/569012109.db2.gz GATPCLBCTFRLKD-XXBNENTESA-N 0 1 411.521 3.990 50 0 HHAAMN COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2Br)o1 ZINC000004541964 569012474 /nfs/dbraw/zinc/01/24/74/569012474.db2.gz LVIOGMKKKFHDJL-HNNXBMFYSA-N 0 1 407.289 3.675 50 0 HHAAMN COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006146455 569014541 /nfs/dbraw/zinc/01/45/41/569014541.db2.gz KYXHEPILTSXGPF-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000006316068 569040328 /nfs/dbraw/zinc/04/03/28/569040328.db2.gz VWRMFMWBFMQVAI-UHFFFAOYSA-N 0 1 413.293 3.607 50 0 HHAAMN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1csc2ccccc21)N(C)C ZINC000575621591 569038958 /nfs/dbraw/zinc/03/89/58/569038958.db2.gz PUIUAONJEJRXBJ-QGZVFWFLSA-N 0 1 413.568 3.981 50 0 HHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)c(C)s2)no1 ZINC000035539211 569043614 /nfs/dbraw/zinc/04/36/14/569043614.db2.gz AHFLRLCNFXKIMU-UHFFFAOYSA-N 0 1 402.457 3.871 50 0 HHAAMN CC[C@H]1CN(CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000244691798 569055101 /nfs/dbraw/zinc/05/51/01/569055101.db2.gz JJNMIPRSAJXCLP-HKUYNNGSSA-N 0 1 415.559 3.879 50 0 HHAAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000035829458 569061569 /nfs/dbraw/zinc/06/15/69/569061569.db2.gz YYTBUKSMDMMFNN-ODLFYWEKSA-N 0 1 422.872 3.941 50 0 HHAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098491 569090935 /nfs/dbraw/zinc/09/09/35/569090935.db2.gz CNFVLIZNGBSRQQ-LJQANCHMSA-N 0 1 401.503 3.602 50 0 HHAAMN Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801858 569097810 /nfs/dbraw/zinc/09/78/10/569097810.db2.gz LWGSMHHWNLHURR-UHFFFAOYSA-N 0 1 415.544 3.991 50 0 HHAAMN O[C@H](COCc1ccco1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146894 569098757 /nfs/dbraw/zinc/09/87/57/569098757.db2.gz SDYDBWPPZLNUJY-LADGPHEKSA-N 0 1 420.509 3.853 50 0 HHAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)c1 ZINC000006752901 569111531 /nfs/dbraw/zinc/11/15/31/569111531.db2.gz MLGZFHLZGVILRC-HSZRJFAPSA-N 0 1 421.497 3.889 50 0 HHAAMN Cc1cc(C)c(S(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1C ZINC000064969556 569138132 /nfs/dbraw/zinc/13/81/32/569138132.db2.gz DECISFINPYMFMK-UHFFFAOYSA-N 0 1 404.923 3.571 50 0 HHAAMN O=S(=O)(NCCc1n[nH]c(Cc2ccccc2)n1)c1ccc(C2CCCCC2)cc1 ZINC000064969911 569138610 /nfs/dbraw/zinc/13/86/10/569138610.db2.gz PDLOZEMKHRANEH-UHFFFAOYSA-N 0 1 424.570 3.964 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036343748 569142412 /nfs/dbraw/zinc/14/24/12/569142412.db2.gz SVMURFTUPGLKPE-HSZRJFAPSA-N 0 1 424.976 3.964 50 0 HHAAMN CCCCN1CCN(C(=O)c2cc(NC(=O)C3CCC3)cc3nc(C)ccc32)CC1 ZINC000065136101 569183286 /nfs/dbraw/zinc/18/32/86/569183286.db2.gz CTGIIKWLJNJYHI-UHFFFAOYSA-N 0 1 408.546 3.840 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)Nc1cc(C)ccc1C ZINC000065186550 569192212 /nfs/dbraw/zinc/19/22/12/569192212.db2.gz UYYCRRBNBYWEKC-UHFFFAOYSA-N 0 1 400.504 3.987 50 0 HHAAMN Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000007126805 569223889 /nfs/dbraw/zinc/22/38/89/569223889.db2.gz ZDHPBWPTSVTNLV-LJQANCHMSA-N 0 1 405.893 3.648 50 0 HHAAMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000007191854 569228115 /nfs/dbraw/zinc/22/81/15/569228115.db2.gz RDSJYKRISOPYFL-QZTJIDSGSA-N 0 1 418.607 3.709 50 0 HHAAMN COc1ccc2c(c1)snc2C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000170613530 569246937 /nfs/dbraw/zinc/24/69/37/569246937.db2.gz FEAVXISVVGMVCF-SFHVURJKSA-N 0 1 411.527 3.880 50 0 HHAAMN Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1nnc2ccccc2c1O ZINC000170625189 569250018 /nfs/dbraw/zinc/25/00/18/569250018.db2.gz INJXPGABUHNNPB-UHFFFAOYSA-N 0 1 401.470 3.967 50 0 HHAAMN CC1CC[NH+](CCc2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)CC1 ZINC000002439691 569400161 /nfs/dbraw/zinc/40/01/61/569400161.db2.gz JOPYSHUIKNLFHH-UHFFFAOYSA-N 0 1 412.559 3.649 50 0 HHAAMN O=C(c1[nH]nnc1Nc1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000067284696 571063682 /nfs/dbraw/zinc/06/36/82/571063682.db2.gz VYVGMJMNRXVOSU-UHFFFAOYSA-N 0 1 417.300 3.818 50 0 HHAAMN COC(=O)C1C(CSc2nc3ccccc3[nH]2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008815958 571121253 /nfs/dbraw/zinc/12/12/53/571121253.db2.gz UYTKEQSBGQHTII-LJQANCHMSA-N 0 1 422.510 3.753 50 0 HHAAMN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000040043166 571142982 /nfs/dbraw/zinc/14/29/82/571142982.db2.gz UIVYPRRDBJSMNK-MRXNPFEDSA-N 0 1 415.588 3.787 50 0 HHAAMN c1cc(-c2nc3ccccc3c(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)n2)cs1 ZINC000040051252 571144962 /nfs/dbraw/zinc/14/49/62/571144962.db2.gz GGGAUBKPRTWGFG-OXQOHEQNSA-N 0 1 410.543 3.508 50 0 HHAAMN O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000040071262 571152061 /nfs/dbraw/zinc/15/20/61/571152061.db2.gz FKCSBPQDCPOYHM-JPYJTQIMSA-N 0 1 414.465 3.792 50 0 HHAAMN Cc1cccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)n1 ZINC000008991524 571207323 /nfs/dbraw/zinc/20/73/23/571207323.db2.gz JPGJCCYGDDUOEQ-UHFFFAOYSA-N 0 1 402.406 3.887 50 0 biogenic HHAAMN COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)[nH]c2c1 ZINC000009156930 571231945 /nfs/dbraw/zinc/23/19/45/571231945.db2.gz LTKLSBCEYMULPZ-UHFFFAOYSA-N 0 1 424.526 3.975 50 0 HHAAMN CCN1c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009170473 571233534 /nfs/dbraw/zinc/23/35/34/571233534.db2.gz RFBWKIHAHBVKJY-UHFFFAOYSA-N 0 1 408.907 3.912 50 0 HHAAMN COc1ccccc1[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CCN(C)C ZINC000009328248 571248345 /nfs/dbraw/zinc/24/83/45/571248345.db2.gz VNJIOLZNRNJTEM-NRFANRHFSA-N 0 1 406.482 3.525 50 0 HHAAMN CCc1nc2ccccc2n1CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000009378343 571253259 /nfs/dbraw/zinc/25/32/59/571253259.db2.gz TVGHWPHTXUYGTA-HSZRJFAPSA-N 0 1 420.557 3.951 50 0 HHAAMN COc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1Cl ZINC000009529605 571266618 /nfs/dbraw/zinc/26/66/18/571266618.db2.gz IIXJOQDXQHMWGZ-GFCCVEGCSA-N 0 1 421.906 3.726 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cccc(C)c2C)c(C)n1C ZINC000009684961 571279688 /nfs/dbraw/zinc/27/96/88/571279688.db2.gz XVPLJLLIVMEBJT-UHFFFAOYSA-N 0 1 403.548 3.686 50 0 HHAAMN COc1ccc2c(CC(=O)NC[C@H](c3ccccc3OC)N3CCCC3)coc2c1 ZINC000009884408 571289350 /nfs/dbraw/zinc/28/93/50/571289350.db2.gz PCGXRHHTEAZMFX-OAQYLSRUSA-N 0 1 408.498 3.946 50 0 HHAAMN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C)cc1 ZINC000009942323 571291174 /nfs/dbraw/zinc/29/11/74/571291174.db2.gz AWQYLGIFSOXEGT-UHFFFAOYSA-N 0 1 422.529 3.975 50 0 HHAAMN COC(=O)c1ccc(CN2CCC(COCc3cc(OC)cc(OC)c3)CC2)o1 ZINC000077191458 571312228 /nfs/dbraw/zinc/31/22/28/571312228.db2.gz CMOZNYCTBXILOK-UHFFFAOYSA-N 0 1 403.475 3.512 50 0 HHAAMN Cc1nc2sccn2c1CN1CCC2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012132772 962245207 /nfs/dbraw/zinc/24/52/07/962245207.db2.gz VMMQYYHLWDWPNO-MRXNPFEDSA-N 0 1 424.526 3.674 50 0 HHAAMN COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 ZINC000012470209 962285570 /nfs/dbraw/zinc/28/55/70/962285570.db2.gz BUOAUVZTDOBLNV-UCFODXPJSA-N 0 1 412.555 3.828 50 0 HHAAMN COc1ccccc1-c1cn2c(C(=O)N(C)Cc3n[nH]c4c3CCCC4)csc2n1 ZINC000015078357 962651572 /nfs/dbraw/zinc/65/15/72/962651572.db2.gz WEFPSVBMUOJZRR-UHFFFAOYSA-N 0 1 421.526 3.946 50 0 HHAAMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1cccc(-n2cnnn2)c1 ZINC000059332433 966015510 /nfs/dbraw/zinc/01/55/10/966015510.db2.gz ZWGDBOQXTRYSAM-UHFFFAOYSA-N 0 1 417.379 3.736 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](Cc2noc(-c3cccnc3)n2)C1 ZINC000169771126 970476338 /nfs/dbraw/zinc/47/63/38/970476338.db2.gz HBWJCBHAKNSMSP-INIZCTEOSA-N 0 1 414.469 3.617 50 0 HHAAMN CCOCCCNC(=O)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 ZINC000169777151 970479557 /nfs/dbraw/zinc/47/95/57/970479557.db2.gz YMPSFRFFHDHSQX-UHFFFAOYSA-N 0 1 423.557 3.576 50 0 HHAAMN O=C(c1ccccc1)N1CCCn2ccnc2[C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000257193186 970624740 /nfs/dbraw/zinc/62/47/40/970624740.db2.gz XQORZZZSZMYNDI-HSZRJFAPSA-N 0 1 415.541 3.778 50 0 HHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC(F)(F)C[C@H]1COc1cccnc1 ZINC000409421475 972890786 /nfs/dbraw/zinc/89/07/86/972890786.db2.gz CIPUMKCDZMEXFG-HNNXBMFYSA-N 0 1 402.376 3.540 50 0 HHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000004711667 132285311 /nfs/dbraw/zinc/28/53/11/132285311.db2.gz XFSJYUSZYIEEFZ-UHFFFAOYSA-N 0 1 401.894 3.521 50 0 HHAAMN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000006887842 132319656 /nfs/dbraw/zinc/31/96/56/132319656.db2.gz RHDPYTSKJSOJFT-UHFFFAOYSA-N 0 1 419.547 3.845 50 0 HHAAMN O=C(CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(Cl)c1 ZINC000012736222 132366298 /nfs/dbraw/zinc/36/62/98/132366298.db2.gz LMOKJBZAYJVGFI-UHFFFAOYSA-N 0 1 412.843 3.905 50 0 HHAAMN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000032870717 521296656 /nfs/dbraw/zinc/29/66/56/521296656.db2.gz LQIWFSIXVHEJKL-IBGZPJMESA-N 0 1 408.498 3.521 50 0 HHAAMN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2)c1 ZINC000040283398 522140997 /nfs/dbraw/zinc/14/09/97/522140997.db2.gz KWFPZEJYYYSPSE-HXUWFJFHSA-N 0 1 424.432 3.524 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000020554913 523851418 /nfs/dbraw/zinc/85/14/18/523851418.db2.gz GKFLTMAGTNQGPV-UHFFFAOYSA-N 0 1 424.526 3.862 50 0 HHAAMN COc1ccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000032869841 524059335 /nfs/dbraw/zinc/05/93/35/524059335.db2.gz ARFCDDNJRIHGKV-UHFFFAOYSA-N 0 1 417.937 3.821 50 0 HHAAMN COc1cccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)N(C)C)c1 ZINC000041799854 524095448 /nfs/dbraw/zinc/09/54/48/524095448.db2.gz HQVPSBKVHWEVHM-MRXNPFEDSA-N 0 1 413.499 3.635 50 0 HHAAMN C[C@H](CN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1 ZINC000072453548 524313188 /nfs/dbraw/zinc/31/31/88/524313188.db2.gz LXZABHDRWFNMGX-LJQANCHMSA-N 0 1 408.546 3.738 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc12 ZINC000020574574 525076822 /nfs/dbraw/zinc/07/68/22/525076822.db2.gz SWLDHCAWYLDOQS-UHFFFAOYSA-N 0 1 407.493 3.756 50 0 HHAAMN O=C(NCCc1cccc(Cl)c1Cl)NC1CCN(Cc2ccccn2)CC1 ZINC000045754463 526415854 /nfs/dbraw/zinc/41/58/54/526415854.db2.gz PQBBIENHYVJILD-UHFFFAOYSA-N 0 1 407.345 3.895 50 0 HHAAMN O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000043954020 527212664 /nfs/dbraw/zinc/21/26/64/527212664.db2.gz ABYYKTZCPNPYKT-UHFFFAOYSA-N 0 1 418.506 3.957 50 0 HHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cncc(Br)c2)CC1 ZINC000009633765 535745836 /nfs/dbraw/zinc/74/58/36/535745836.db2.gz ZIUDVAFCBMUXAX-UHFFFAOYSA-N 0 1 423.742 3.892 50 0 HHAAMN CC[NH+]1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000007364689 535745851 /nfs/dbraw/zinc/74/58/51/535745851.db2.gz BVLQUOLHXSATRU-UHFFFAOYSA-N 0 1 414.358 3.936 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000012558249 535753500 /nfs/dbraw/zinc/75/35/00/535753500.db2.gz GMRUHOGUABDINE-DEOSSOPVSA-N 0 1 418.541 3.731 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000012558250 535753891 /nfs/dbraw/zinc/75/38/91/535753891.db2.gz GMRUHOGUABDINE-XMMPIXPASA-N 0 1 418.541 3.731 50 0 HHAAMN CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697979 535954073 /nfs/dbraw/zinc/95/40/73/535954073.db2.gz KUNAZBXWDFJDAJ-UHFFFAOYSA-N 0 1 403.490 3.532 50 0 HHAAMN COc1ccc([C@H]2CCCCCN2[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008747966 536938988 /nfs/dbraw/zinc/93/89/88/536938988.db2.gz LIFATGKQRGBHTA-LAUBAEHRSA-N 0 1 407.514 3.986 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccsc3)cc2)n1 ZINC000001033578 557148641 /nfs/dbraw/zinc/14/86/41/557148641.db2.gz YOMKVXFSYSRNTL-UHFFFAOYSA-N 0 1 403.489 3.600 50 0 HHAAMN Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000001052077 557160420 /nfs/dbraw/zinc/16/04/20/557160420.db2.gz XHLAQHNAJRQGDU-UHFFFAOYSA-N 0 1 422.466 3.893 50 0 HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)cc1C ZINC000001064754 557165616 /nfs/dbraw/zinc/16/56/16/557165616.db2.gz LRONEILQAXZFKG-QGZVFWFLSA-N 0 1 422.934 3.666 50 0 HHAAMN CC(=O)C(Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N(C)C ZINC000001083203 557175937 /nfs/dbraw/zinc/17/59/37/557175937.db2.gz BASVVPNJDQEIKA-KRWDZBQOSA-N 0 1 414.918 3.726 50 0 HHAAMN CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCC(F)(F)F ZINC000001189102 557235618 /nfs/dbraw/zinc/23/56/18/557235618.db2.gz SSAXTTOUPTXUBY-GOSISDBHSA-N 0 1 420.387 3.999 50 0 HHAAMN Cc1cccc(-c2noc(CSc3nc4[nH]ncc4c(=O)n3-c3ccccc3)n2)c1 ZINC000033292193 557314113 /nfs/dbraw/zinc/31/41/13/557314113.db2.gz YIIYZNSXMPZAHY-UHFFFAOYSA-N 0 1 416.466 3.760 50 0 HHAAMN CCOC(=O)c1ccccc1NC1=C[C@@](C)(C(=O)OCC)N(c2ccccc2)C1=O ZINC000002266287 557332880 /nfs/dbraw/zinc/33/28/80/557332880.db2.gz MRASNRVIMAUAAM-QHCPKHFHSA-N 0 1 408.454 3.528 50 0 HHAAMN O=C(NCc1ccccn1)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000034668630 557362380 /nfs/dbraw/zinc/36/23/80/557362380.db2.gz OAZAEROXJZSIAG-UHFFFAOYSA-N 0 1 420.944 3.987 50 0 HHAAMN CSCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000004549968 557566085 /nfs/dbraw/zinc/56/60/85/557566085.db2.gz NCJMEKZCQDIVLX-HXUWFJFHSA-N 0 1 412.511 3.800 50 0 HHAAMN CSCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000005008659 557624932 /nfs/dbraw/zinc/62/49/32/557624932.db2.gz VHASMCJGKPHFGN-FQEVSTJZSA-N 0 1 412.511 3.800 50 0 HHAAMN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cnc[nH]2)c1OC ZINC000011663333 558267027 /nfs/dbraw/zinc/26/70/27/558267027.db2.gz GCJZBAFRGWCNCL-OAQYLSRUSA-N 0 1 402.454 3.696 50 0 HHAAMN O=C(NC[C@H]1CCC2(CCN(Cc3nc4ccccc4[nH]3)CC2)O1)c1ccccc1 ZINC000011784695 558275702 /nfs/dbraw/zinc/27/57/02/558275702.db2.gz PHRWWDLORJYRHP-LJQANCHMSA-N 0 1 404.514 3.507 50 0 HHAAMN COc1cccc(C[C@@]2(CO)CCCN(Cc3c(OC)cc(OC)cc3OC)C2)c1 ZINC000011816403 558279865 /nfs/dbraw/zinc/27/98/65/558279865.db2.gz GWAWKBFUYXZIJO-DEOSSOPVSA-N 0 1 415.530 3.538 50 0 HHAAMN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2cccnc2)CC1 ZINC000011821382 558284428 /nfs/dbraw/zinc/28/44/28/558284428.db2.gz MWKUXZHHUBMMFE-UHFFFAOYSA-N 0 1 405.502 3.523 50 0 HHAAMN CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cccn2-c2cccnc2)CC1 ZINC000011822078 558285023 /nfs/dbraw/zinc/28/50/23/558285023.db2.gz NLZONAITWZOBEJ-UHFFFAOYSA-N 0 1 406.534 3.891 50 0 HHAAMN CCCc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000019943062 558314201 /nfs/dbraw/zinc/31/42/01/558314201.db2.gz AZQVFEBAHPQBTK-UHFFFAOYSA-N 0 1 402.542 3.942 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 ZINC000012464515 558420118 /nfs/dbraw/zinc/42/01/18/558420118.db2.gz NOPYWVSREOIVNE-QFIPXVFZSA-N 0 1 417.550 3.656 50 0 HHAAMN COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1O ZINC000012594230 558436848 /nfs/dbraw/zinc/43/68/48/558436848.db2.gz DOFURHDKPMPTHN-UHFFFAOYSA-N 0 1 424.476 3.826 50 0 HHAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cccc3c2OCO3)CC1 ZINC000012754850 558459910 /nfs/dbraw/zinc/45/99/10/558459910.db2.gz ACYIFJVISTZKDH-UHFFFAOYSA-N 0 1 411.498 3.812 50 0 HHAAMN Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000010818367 558461353 /nfs/dbraw/zinc/46/13/53/558461353.db2.gz JANDAUQEERSEFV-UHFFFAOYSA-N 0 1 401.580 3.732 50 0 HHAAMN CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1 ZINC000022475039 558491829 /nfs/dbraw/zinc/49/18/29/558491829.db2.gz YHZZPWDEJRSNNN-UHFFFAOYSA-N 0 1 404.435 3.501 50 0 HHAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013038335 558505695 /nfs/dbraw/zinc/50/56/95/558505695.db2.gz SRLQCJSYFQWYGZ-GOSISDBHSA-N 0 1 417.575 3.623 50 0 HHAAMN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)C1 ZINC000013127002 558518890 /nfs/dbraw/zinc/51/88/90/558518890.db2.gz SRRFLLSNAJJCRL-TXEJJXNPSA-N 0 1 409.353 3.831 50 0 HHAAMN CSc1n[nH]c(NC(=O)c2cc3nccc(-c4ccc5ccccc5c4)n3n2)n1 ZINC000013644384 558556227 /nfs/dbraw/zinc/55/62/27/558556227.db2.gz IWUGJJWIJPLMGM-UHFFFAOYSA-N 0 1 401.455 3.642 50 0 HHAAMN CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000023762572 558574774 /nfs/dbraw/zinc/57/47/74/558574774.db2.gz SISGFHBMKSDAPL-GOSISDBHSA-N 0 1 419.978 3.673 50 0 HHAAMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)c1 ZINC000024375493 558596336 /nfs/dbraw/zinc/59/63/36/558596336.db2.gz PCQCYLSXGZMAFH-UHFFFAOYSA-N 0 1 411.512 3.624 50 0 HHAAMN CC[C@H](Nc1ncnc2[nH]cnc21)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000013986658 558610572 /nfs/dbraw/zinc/61/05/72/558610572.db2.gz IFSDAJWBUCMOAH-HNNXBMFYSA-N 0 1 415.432 3.754 50 0 fda HHAAMN Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049045 558628470 /nfs/dbraw/zinc/62/84/70/558628470.db2.gz ZPNJQMMHMHYALU-JLTOFOAXSA-N 0 1 406.511 3.932 50 0 HHAAMN O=C(CN1CCCC1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000025418603 558640343 /nfs/dbraw/zinc/64/03/43/558640343.db2.gz NPDRRZBYLKAIED-LJQANCHMSA-N 0 1 402.420 3.883 50 0 HHAAMN O=C(CN1CCCC1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000025418603 558640344 /nfs/dbraw/zinc/64/03/44/558640344.db2.gz NPDRRZBYLKAIED-LJQANCHMSA-N 0 1 402.420 3.883 50 0 HHAAMN COc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000025512660 558642350 /nfs/dbraw/zinc/64/23/50/558642350.db2.gz GFHOVHHRAYOHTE-OAHLLOKOSA-N 0 1 402.516 3.675 50 0 HHAAMN Cc1c(-c2nc(C3CCC3)no2)c(S(=O)(=O)Nc2cccc(F)c2)c(C)n1C ZINC000065194591 558654445 /nfs/dbraw/zinc/65/44/45/558654445.db2.gz GKZPWKCIHNADJS-UHFFFAOYSA-N 0 1 404.467 3.899 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000026567636 558663129 /nfs/dbraw/zinc/66/31/29/558663129.db2.gz BMFNKHBQIWHPNA-UHFFFAOYSA-N 0 1 423.948 3.897 50 0 HHAAMN CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1cccnc1)CC2 ZINC000014750298 558670574 /nfs/dbraw/zinc/67/05/74/558670574.db2.gz BETFJAGJAYTSBT-UHFFFAOYSA-N 0 1 414.509 3.664 50 0 HHAAMN CCOc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)ccc1OC ZINC000014989766 558693763 /nfs/dbraw/zinc/69/37/63/558693763.db2.gz XULMISHNBDAGMU-UHFFFAOYSA-N 0 1 406.530 3.529 50 0 HHAAMN CC(=O)N1CCN(Cc2ccc3c(c2)CN(Cc2cc(C)c(C)cc2C)CCO3)CC1 ZINC000014990409 558694161 /nfs/dbraw/zinc/69/41/61/558694161.db2.gz BHAKRQUQLRROSR-UHFFFAOYSA-N 0 1 421.585 3.671 50 0 HHAAMN CN(Cc1nccs1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014994041 558695523 /nfs/dbraw/zinc/69/55/23/558695523.db2.gz OPXAKUSZEIJUBQ-AWEZNQCLSA-N 0 1 407.923 3.538 50 0 HHAAMN Cc1ccc(OCc2cc(C(=O)N3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)no2)cn1 ZINC000015063069 558705688 /nfs/dbraw/zinc/70/56/88/558705688.db2.gz RBEQIOIKIFVGJQ-HXUWFJFHSA-N 0 1 421.432 3.950 50 0 HHAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000015725998 558750511 /nfs/dbraw/zinc/75/05/11/558750511.db2.gz FXXFYJTVTIZZQA-UHFFFAOYSA-N 0 1 400.910 3.595 50 0 HHAAMN O=C(CNCCOc1ccccc1F)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000016695491 558800959 /nfs/dbraw/zinc/80/09/59/558800959.db2.gz ARTMPIKNOFHFAB-OAQYLSRUSA-N 0 1 406.457 3.961 50 0 HHAAMN COc1cccc([C@H](CNC(=O)c2ccc(NC(=O)C3CC3)cc2)N2CCCC2)c1 ZINC000032988485 558808270 /nfs/dbraw/zinc/80/82/70/558808270.db2.gz WNOSIYPDVROJQL-QFIPXVFZSA-N 0 1 407.514 3.611 50 0 HHAAMN CCOc1ccc(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 ZINC000017088364 558817145 /nfs/dbraw/zinc/81/71/45/558817145.db2.gz WWSKKJPOZKQIRE-UHFFFAOYSA-N 0 1 409.870 3.923 50 0 HHAAMN O=S(=O)(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cccc2nonc21 ZINC000017093771 558822217 /nfs/dbraw/zinc/82/22/17/558822217.db2.gz BGPGJKQHFQSPTA-UHFFFAOYSA-N 0 1 424.269 3.575 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)c(C)c1C ZINC000019222800 558852448 /nfs/dbraw/zinc/85/24/48/558852448.db2.gz ADDCXGLYTGBESL-NRFANRHFSA-N 0 1 404.501 3.659 50 0 HHAAMN CCOc1cc(CNC(=O)[C@H]2CCCN(c3nc4ccc(C)cc4[nH]3)C2)ccc1OC ZINC000033072160 558866754 /nfs/dbraw/zinc/86/67/54/558866754.db2.gz VKEVNQVAPYCJPM-SFHVURJKSA-N 0 1 422.529 3.811 50 0 HHAAMN CC(=O)c1ccc(NC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055270243 558878050 /nfs/dbraw/zinc/87/80/50/558878050.db2.gz VSOKGLAEAMIXDI-HSZRJFAPSA-N 0 1 406.530 3.708 50 0 HHAAMN C/C(=C\c1ccco1)CN1CCc2nnc([C@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000055568756 558882925 /nfs/dbraw/zinc/88/29/25/558882925.db2.gz CAPFZVDNLCGGMR-LQATUXICSA-N 0 1 419.529 3.632 50 0 HHAAMN Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048254 558884858 /nfs/dbraw/zinc/88/48/58/558884858.db2.gz WHDCWGRRHZCPJG-INIZCTEOSA-N 0 1 423.586 3.503 50 0 HHAAMN CC[C@@H](C)NC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21 ZINC000033129355 558885305 /nfs/dbraw/zinc/88/53/05/558885305.db2.gz VDEMXSAIXPDXAA-QGZVFWFLSA-N 0 1 409.534 3.838 50 0 HHAAMN C[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000058135679 558901021 /nfs/dbraw/zinc/90/10/21/558901021.db2.gz WGHVVWWZLXSYFH-NSHDSACASA-N 0 1 424.284 3.764 50 0 HHAAMN Cc1ccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)o1 ZINC000033173874 558901997 /nfs/dbraw/zinc/90/19/97/558901997.db2.gz DAQKSSVNMAPPLV-UHFFFAOYSA-N 0 1 405.423 3.845 50 0 HHAAMN Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(CN4CCSCC4)c3)CC2=O)c1C ZINC000058151295 558902538 /nfs/dbraw/zinc/90/25/38/558902538.db2.gz GJGKSHOIYOUUHD-FQEVSTJZSA-N 0 1 423.582 3.844 50 0 HHAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(C(F)(F)F)c1 ZINC000058159665 558904606 /nfs/dbraw/zinc/90/46/06/558904606.db2.gz KYIQBATULIXAPX-CYBMUJFWSA-N 0 1 405.420 3.887 50 0 HHAAMN COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000058406814 558924687 /nfs/dbraw/zinc/92/46/87/558924687.db2.gz OQHABXCMSOTJIF-OAHLLOKOSA-N 0 1 403.473 3.998 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 ZINC000072115879 558926921 /nfs/dbraw/zinc/92/69/21/558926921.db2.gz FNOUCNKVVABLTJ-UHFFFAOYSA-N 0 1 418.929 3.671 50 0 HHAAMN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@@H]2C(N)=O)cc1OC ZINC000072421560 558978464 /nfs/dbraw/zinc/97/84/64/558978464.db2.gz DDAYVCCBRHHILS-HXUWFJFHSA-N 0 1 405.498 3.677 50 0 HHAAMN COc1ccc(NC(=O)C2([N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CCCCC2)cc1 ZINC000043736685 558991782 /nfs/dbraw/zinc/99/17/82/558991782.db2.gz JPOZDPITGXJBJC-RBUKOAKNSA-N 0 1 421.541 3.618 50 0 biogenic HHAAMN FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4nccs4)C3)CC2)c1 ZINC000067909761 558994723 /nfs/dbraw/zinc/99/47/23/558994723.db2.gz GHWXLXAEEMHUKF-SFHVURJKSA-N 0 1 410.509 3.949 50 0 HHAAMN O=c1c2c[nH]nc2nc(SCc2nc(-c3ccc(F)cc3)no2)n1-c1ccccc1 ZINC000033292195 559045964 /nfs/dbraw/zinc/04/59/64/559045964.db2.gz IPSVDTXEGMNFEN-UHFFFAOYSA-N 0 1 420.429 3.590 50 0 HHAAMN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000096900599 559112619 /nfs/dbraw/zinc/11/26/19/559112619.db2.gz RURQOOLDILLUAL-UHFFFAOYSA-N 0 1 404.510 3.916 50 0 HHAAMN CCN1CCN(Cn2nc(-c3ccccc3OC)n(-c3ccc(C)cc3)c2=S)CC1 ZINC000023381415 559173666 /nfs/dbraw/zinc/17/36/66/559173666.db2.gz VTQCQUXAMTURMS-UHFFFAOYSA-N 0 1 423.586 3.982 50 0 HHAAMN COCCNC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000004927821 559208230 /nfs/dbraw/zinc/20/82/30/559208230.db2.gz NXERFSZJCLEOCE-UHFFFAOYSA-N 0 1 411.527 3.915 50 0 HHAAMN COc1ccccc1NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000004943113 559214251 /nfs/dbraw/zinc/21/42/51/559214251.db2.gz CXHAQTKLIISQBE-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN COCCCNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000005043756 559236393 /nfs/dbraw/zinc/23/63/93/559236393.db2.gz SIPQDQLNXSTGOJ-UHFFFAOYSA-N 0 1 405.926 3.668 50 0 HHAAMN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000033749566 559240773 /nfs/dbraw/zinc/24/07/73/559240773.db2.gz LPUXTZWNWDSBQR-YVEFUNNKSA-N 0 1 402.520 3.643 50 0 HHAAMN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005097308 559245094 /nfs/dbraw/zinc/24/50/94/559245094.db2.gz GCJDGLFVVWWIMP-QFIPXVFZSA-N 0 1 402.535 3.938 50 0 HHAAMN COc1ccc2sc(N(CCN(C)C)C(=O)COc3ccc(Cl)cc3)nc2c1 ZINC000005121515 559248566 /nfs/dbraw/zinc/24/85/66/559248566.db2.gz XKGYIRTURDRXEN-UHFFFAOYSA-N 0 1 419.934 3.932 50 0 HHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(=O)NC3CC3)n2)cc1 ZINC000005180560 559289554 /nfs/dbraw/zinc/28/95/54/559289554.db2.gz AMYSAGHASGKGER-UHFFFAOYSA-N 0 1 421.526 3.657 50 0 HHAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)c1 ZINC000005343553 560565989 /nfs/dbraw/zinc/56/59/89/560565989.db2.gz JMIRTYRFNYYDEC-JOCHJYFZSA-N 0 1 421.497 3.725 50 0 HHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000005089702 560623432 /nfs/dbraw/zinc/62/34/32/560623432.db2.gz ITIANAXWMLUBTR-UHFFFAOYSA-N 0 1 403.910 3.751 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)c1 ZINC000101099195 560727863 /nfs/dbraw/zinc/72/78/63/560727863.db2.gz NLXLJWLFTNXLLP-ODYMNIRHSA-N 0 1 404.532 3.619 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cncn2-c2ccc(F)cc2)N2CCCC2)cc1 ZINC000017911671 560730467 /nfs/dbraw/zinc/73/04/67/560730467.db2.gz YOQFJCPYDCHIDH-NRFANRHFSA-N 0 1 408.477 3.587 50 0 HHAAMN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)[nH]n2)N1 ZINC000006394456 560737156 /nfs/dbraw/zinc/73/71/56/560737156.db2.gz QYVGPGYQEIVMHL-CQSZACIVSA-N 0 1 407.179 3.856 50 0 HHAAMN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000007341986 560750330 /nfs/dbraw/zinc/75/03/30/560750330.db2.gz JHNQLKFSHQNOJL-UHFFFAOYSA-N 0 1 401.879 3.814 50 0 HHAAMN CCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690564 560853158 /nfs/dbraw/zinc/85/31/58/560853158.db2.gz GQMNWDRXEIJGTH-GOSISDBHSA-N 0 1 403.486 3.525 50 0 HHAAMN CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984258 560858896 /nfs/dbraw/zinc/85/88/96/560858896.db2.gz NTXHCBQLLQWMFO-DHIUTWEWSA-N 0 1 414.521 3.854 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(OC(F)F)c2)N2CCCC2)cc1 ZINC000048354720 568441161 /nfs/dbraw/zinc/44/11/61/568441161.db2.gz ZOOSJDKWEMACAE-GOSISDBHSA-N 0 1 420.456 3.872 50 0 HHAAMN CN(C)[C@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000048364244 568441766 /nfs/dbraw/zinc/44/17/66/568441766.db2.gz SPOMBSSZWBOLDJ-GOSISDBHSA-N 0 1 406.885 3.602 50 0 HHAAMN O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCC[C@H](COCc2ccccc2)C1 ZINC000049031595 568445863 /nfs/dbraw/zinc/44/58/63/568445863.db2.gz CBTIOAXSIRKDIN-SFHVURJKSA-N 0 1 419.481 3.874 50 0 HHAAMN CC1=NC(=O)N[C@H](c2cccc(Br)c2)C1C(=O)OCc1ccccc1 ZINC000000752198 568471366 /nfs/dbraw/zinc/47/13/66/568471366.db2.gz MYNMNSGETXGELN-QGZVFWFLSA-N 0 1 401.260 3.820 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc(OC)cc4)ccc3n2)CC1 ZINC000020108651 568588505 /nfs/dbraw/zinc/58/85/05/568588505.db2.gz GLAZGZCHQAMUBI-UHFFFAOYSA-N 0 1 418.541 3.875 50 0 HHAAMN COc1ccc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c(OC)c1 ZINC000020114369 568589249 /nfs/dbraw/zinc/58/92/49/568589249.db2.gz JDQNUEOWXXAZHW-UHFFFAOYSA-N 0 1 420.513 3.565 50 0 HHAAMN CCOC(=O)C1C(CN(C)c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214571 568594726 /nfs/dbraw/zinc/59/47/26/568594726.db2.gz MKRMCVIKAHFTOM-QFIPXVFZSA-N 0 1 423.513 3.781 50 0 HHAAMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(Br)ccc1O ZINC000095365182 568602083 /nfs/dbraw/zinc/60/20/83/568602083.db2.gz LIJUWISSTSGKPM-UHFFFAOYSA-N 0 1 407.283 3.688 50 0 HHAAMN O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(Br)ccc1[O-] ZINC000095365182 568602085 /nfs/dbraw/zinc/60/20/85/568602085.db2.gz LIJUWISSTSGKPM-UHFFFAOYSA-N 0 1 407.283 3.688 50 0 HHAAMN COc1ccc(-c2nc(COC(=O)[C@H]3CCCN3C3CCOCC3)cs2)cc1 ZINC000095454618 568616383 /nfs/dbraw/zinc/61/63/83/568616383.db2.gz RZPRBIXCFOWCIK-LJQANCHMSA-N 0 1 402.516 3.505 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(C)cc2C)c(C)n1C ZINC000021030329 568659330 /nfs/dbraw/zinc/65/93/30/568659330.db2.gz PXJRJXYIKZRXFC-UHFFFAOYSA-N 0 1 417.575 3.932 50 0 HHAAMN O=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccc(C(F)(F)F)cc1 ZINC000095955075 568668996 /nfs/dbraw/zinc/66/89/96/568668996.db2.gz HOYWFOPKVDIWSS-UHFFFAOYSA-N 0 1 404.392 3.666 50 0 HHAAMN Oc1ccc([C@@](O)(Cc2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000021170151 568676270 /nfs/dbraw/zinc/67/62/70/568676270.db2.gz KUHATIPKCXBPFU-FTJBHMTQSA-N 0 1 403.522 3.939 50 0 HHAAMN CC(C)Cc1nc(NC(=O)c2cn(Cc3ccccc3)c(=O)c3ccccc23)n[nH]1 ZINC000096116593 568696009 /nfs/dbraw/zinc/69/60/09/568696009.db2.gz WALAMQOOHIQYEI-UHFFFAOYSA-N 0 1 401.470 3.619 50 0 HHAAMN CC(C)Cc1n[nH]c(NC(=O)c2cn(Cc3ccccc3)c(=O)c3ccccc23)n1 ZINC000096116593 568696011 /nfs/dbraw/zinc/69/60/11/568696011.db2.gz WALAMQOOHIQYEI-UHFFFAOYSA-N 0 1 401.470 3.619 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)[nH]n1 ZINC000096118615 568698349 /nfs/dbraw/zinc/69/83/49/568698349.db2.gz BMQJNYOZLHUZKG-UHFFFAOYSA-N 0 1 403.442 3.628 50 0 HHAAMN Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1C ZINC000096324563 568733981 /nfs/dbraw/zinc/73/39/81/568733981.db2.gz KUMNBSPBHUVICI-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324590 568733998 /nfs/dbraw/zinc/73/39/98/568733998.db2.gz OVDGWOXMKOWXPV-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1C ZINC000096324685 568734243 /nfs/dbraw/zinc/73/42/43/568734243.db2.gz JMZPUHNMSBMHPK-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN CCc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)c1 ZINC000096324779 568734555 /nfs/dbraw/zinc/73/45/55/568734555.db2.gz CWSQOOHDRPYLHU-SFHVURJKSA-N 0 1 403.486 3.525 50 0 HHAAMN CCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 ZINC000000959055 568758257 /nfs/dbraw/zinc/75/82/57/568758257.db2.gz LIDMHJBLOCIXRZ-MRXNPFEDSA-N 0 1 421.295 3.680 50 0 HHAAMN O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCc1ccccc1Cl ZINC000002976018 568832468 /nfs/dbraw/zinc/83/24/68/568832468.db2.gz ZJANWJVRDGLOKH-UHFFFAOYSA-N 0 1 401.919 3.792 50 0 HHAAMN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000029837087 568837031 /nfs/dbraw/zinc/83/70/31/568837031.db2.gz CGPBJJNLZWCLAR-WOJBJXKFSA-N 0 1 419.928 3.653 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2OC)cc1 ZINC000012605501 568870889 /nfs/dbraw/zinc/87/08/89/568870889.db2.gz JMLMDZXRGVRSMH-UHFFFAOYSA-N 0 1 418.496 3.818 50 0 HHAAMN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C ZINC000003287865 568872690 /nfs/dbraw/zinc/87/26/90/568872690.db2.gz UWDOGFUOOUYLLY-UHFFFAOYSA-N 0 1 413.528 3.703 50 0 HHAAMN O=c1c(CNCc2cccnc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000299776322 568874813 /nfs/dbraw/zinc/87/48/13/568874813.db2.gz JRHPQJRNZUDVLP-UHFFFAOYSA-N 0 1 417.440 3.602 50 0 HHAAMN Cc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)s1 ZINC000012730808 568922382 /nfs/dbraw/zinc/92/23/82/568922382.db2.gz KAIXCILPRBOCLU-UHFFFAOYSA-N 0 1 405.476 3.952 50 0 HHAAMN COc1ccc(OC)c(NC(=S)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000004033729 568935221 /nfs/dbraw/zinc/93/52/21/568935221.db2.gz ACJHPMJPAHMGAR-HXUWFJFHSA-N 0 1 412.490 3.911 50 0 HHAAMN COc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3-n3cncn3)[nH]c2c1 ZINC000004252298 568955394 /nfs/dbraw/zinc/95/53/94/568955394.db2.gz UIGCJYJISXULHX-UHFFFAOYSA-N 0 1 414.878 3.536 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2[O-])[NH+]2CCCC2)cc1 ZINC000012777701 568955987 /nfs/dbraw/zinc/95/59/87/568955987.db2.gz IDBIIICEKOSNTP-SFHVURJKSA-N 0 1 419.319 3.730 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCCC2)cc1 ZINC000008189621 568981069 /nfs/dbraw/zinc/98/10/69/568981069.db2.gz AFTPVPWFJTZJNB-HSZRJFAPSA-N 0 1 421.541 3.779 50 0 HHAAMN Cc1cc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)s2)on1 ZINC000015731245 568981657 /nfs/dbraw/zinc/98/16/57/568981657.db2.gz YSQVMOMNRGJBCJ-UHFFFAOYSA-N 0 1 417.556 3.654 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000008373998 568995760 /nfs/dbraw/zinc/99/57/60/568995760.db2.gz FOEWVLSKGGPAFU-GOSISDBHSA-N 0 1 400.837 3.692 50 0 HHAAMN Cc1cccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1 ZINC000085664817 569006688 /nfs/dbraw/zinc/00/66/88/569006688.db2.gz YYLNRPWACRMFPY-UHFFFAOYSA-N 0 1 401.435 3.944 50 0 HHAAMN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006167908 569016197 /nfs/dbraw/zinc/01/61/97/569016197.db2.gz DRNUVASYFZKKEE-UHFFFAOYSA-N 0 1 410.430 3.755 50 0 HHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(-c4ccno4)c3)c(C)s2)no1 ZINC000035539213 569043607 /nfs/dbraw/zinc/04/36/07/569043607.db2.gz ZJNAXTSQSCYBNH-UHFFFAOYSA-N 0 1 402.457 3.871 50 0 HHAAMN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064197652 569045917 /nfs/dbraw/zinc/04/59/17/569045917.db2.gz AMUPFGDCAJZQCJ-NVVBAYIOSA-N 0 1 411.477 3.645 50 0 HHAAMN COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c1 ZINC000006414234 569046940 /nfs/dbraw/zinc/04/69/40/569046940.db2.gz ATRRYNGJLYVKOV-UHFFFAOYSA-N 0 1 404.879 3.530 50 0 HHAAMN O=C([C@H]1CC[C@H](O)CC1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000240971745 569054624 /nfs/dbraw/zinc/05/46/24/569054624.db2.gz UCCFHIDCRPXHGE-QWFCFKBJSA-N 0 1 406.517 3.576 50 0 HHAAMN Cc1c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc(C(=O)N2CCCCC2)n1C ZINC000064922286 569122199 /nfs/dbraw/zinc/12/21/99/569122199.db2.gz WDQRQYQULOESDC-UHFFFAOYSA-N 0 1 413.902 3.553 50 0 HHAAMN COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000064979601 569140952 /nfs/dbraw/zinc/14/09/52/569140952.db2.gz XJAIJJVUIFEODF-UHFFFAOYSA-N 0 1 409.261 3.914 50 0 HHAAMN CCCC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340659 569141714 /nfs/dbraw/zinc/14/17/14/569141714.db2.gz CDWSFTNBUDHBBM-QFIPXVFZSA-N 0 1 410.606 3.920 50 0 HHAAMN CCCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCCCC2)CC1 ZINC000065166025 569189807 /nfs/dbraw/zinc/18/98/07/569189807.db2.gz JHSLNRMJUWYMLB-UHFFFAOYSA-N 0 1 412.578 3.583 50 0 HHAAMN COc1ccc(NC(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 ZINC000006973787 569192904 /nfs/dbraw/zinc/19/29/04/569192904.db2.gz RHJIYWMDHWWFHC-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000007054512 569214364 /nfs/dbraw/zinc/21/43/64/569214364.db2.gz CKPQUQKGTIHCLG-UHFFFAOYSA-N 0 1 416.952 3.561 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2cccs2)c1 ZINC000007156850 569225974 /nfs/dbraw/zinc/22/59/74/569225974.db2.gz DLJCGWQSJHWEHU-UHFFFAOYSA-N 0 1 402.497 3.739 50 0 HHAAMN COc1ccc2nc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)[nH]c2c1 ZINC000170598439 569242609 /nfs/dbraw/zinc/24/26/09/569242609.db2.gz QHFGKCLWIUUIEZ-KKSFZXQISA-N 0 1 422.529 3.902 50 0 HHAAMN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1O ZINC000170617692 569247761 /nfs/dbraw/zinc/24/77/61/569247761.db2.gz MJJHPBLLYOIIOS-UHFFFAOYSA-N 0 1 421.805 3.543 50 0 HHAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)N(c3ccccc3C)C2=O)cc1 ZINC000170623866 569249867 /nfs/dbraw/zinc/24/98/67/569249867.db2.gz WDBICNVICXWEDB-KRWDZBQOSA-N 0 1 411.483 3.584 50 0 HHAAMN CCOC(=O)N[C@@](Nc1cc(Cl)ccc1Cl)(C(=O)OCC)C(F)(F)F ZINC000002307116 569372546 /nfs/dbraw/zinc/37/25/46/569372546.db2.gz DBRJXONNAKLFDG-ZDUSSCGKSA-N 0 1 403.184 3.973 50 0 HHAAMN COc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471096 569381040 /nfs/dbraw/zinc/38/10/40/569381040.db2.gz LMMWNKQMOHNDPX-LJQANCHMSA-N 0 1 409.438 3.832 50 0 HHAAMN CN(C)CCNc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCCC3 ZINC000002357081 569385500 /nfs/dbraw/zinc/38/55/00/569385500.db2.gz LHGVREOYGFLADT-UHFFFAOYSA-N 0 1 400.523 3.829 50 0 HHAAMN O=c1c2c3c(sc2n(CCN2CCCC2)c(=O)n1Cc1ccccc1)CCCCC3 ZINC000002431958 569399317 /nfs/dbraw/zinc/39/93/17/569399317.db2.gz BAQKJGKJHVHWMA-UHFFFAOYSA-N 0 1 423.582 3.638 50 0 HHAAMN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCc2ccccc21 ZINC000027906432 569409494 /nfs/dbraw/zinc/40/94/94/569409494.db2.gz PRPDUDNBOMQDCJ-IBGZPJMESA-N 0 1 409.486 3.505 50 0 HHAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000008484139 571055071 /nfs/dbraw/zinc/05/50/71/571055071.db2.gz VVUFTTNMPASUBG-ZDUSSCGKSA-N 0 1 410.499 3.560 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCc3ccccc3C2)n1 ZINC000008487956 571055480 /nfs/dbraw/zinc/05/54/80/571055480.db2.gz DFHYRMBOHUHHQU-UHFFFAOYSA-N 0 1 414.918 3.811 50 0 HHAAMN Cc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1C ZINC000067284565 571063521 /nfs/dbraw/zinc/06/35/21/571063521.db2.gz ZVLAFLHMAVXIJM-UHFFFAOYSA-N 0 1 410.909 3.781 50 0 HHAAMN Cc1ccc(C)c(N2CCN(C(=O)c3[nH]nnc3Nc3cccc(Cl)c3)CC2)c1 ZINC000067284675 571063629 /nfs/dbraw/zinc/06/36/29/571063629.db2.gz UWXFNTZTMOOZEC-UHFFFAOYSA-N 0 1 410.909 3.781 50 0 HHAAMN Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000008814877 571121024 /nfs/dbraw/zinc/12/10/24/571121024.db2.gz ACJMSTQVVQYGQW-HYBUGGRVSA-N 0 1 403.482 3.570 50 0 HHAAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008893068 571142776 /nfs/dbraw/zinc/14/27/76/571142776.db2.gz OWKKQROSBHJZEX-IBGZPJMESA-N 0 1 415.559 3.737 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1OC ZINC000008901163 571144705 /nfs/dbraw/zinc/14/47/05/571144705.db2.gz ZSXKIKQPFAOICS-GOSISDBHSA-N 0 1 424.588 3.661 50 0 HHAAMN C[C@@H](Cc1ccccc1Cl)NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000040112099 571170150 /nfs/dbraw/zinc/17/01/50/571170150.db2.gz NEXWTFASXPZEPW-ZDUSSCGKSA-N 0 1 401.919 3.850 50 0 HHAAMN CCN1c2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2OCC(C)(C)C1=O ZINC000009166279 571232720 /nfs/dbraw/zinc/23/27/20/571232720.db2.gz BCQWLUKGLJSEIG-UHFFFAOYSA-N 0 1 418.515 3.576 50 0 HHAAMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc3[nH]nnc3c1)CC2 ZINC000009466876 571261143 /nfs/dbraw/zinc/26/11/43/571261143.db2.gz CNYCJYAZGQLTFV-OAQYLSRUSA-N 0 1 420.494 3.825 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N2CCCCC2)cc1 ZINC000009581566 571270900 /nfs/dbraw/zinc/27/09/00/571270900.db2.gz IQVAXQUAEFVSMJ-HSZRJFAPSA-N 0 1 421.541 3.779 50 0 HHAAMN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(OC(F)(F)F)cc1 ZINC000009613982 571273984 /nfs/dbraw/zinc/27/39/84/571273984.db2.gz ZUTPLOJLSHRIDY-UHFFFAOYSA-N 0 1 418.784 3.620 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(C)cc2C)c(C)n1C ZINC000009685041 571279745 /nfs/dbraw/zinc/27/97/45/571279745.db2.gz NGWUDXSILMLSEM-UHFFFAOYSA-N 0 1 403.548 3.686 50 0 HHAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000009799736 571285709 /nfs/dbraw/zinc/28/57/09/571285709.db2.gz JFXWMWVWYUMTPO-UHFFFAOYSA-N 0 1 421.478 3.543 50 0 HHAAMN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)CC1 ZINC000009946685 571291222 /nfs/dbraw/zinc/29/12/22/571291222.db2.gz ALRPTPWIAOZTOU-MRXNPFEDSA-N 0 1 415.559 3.591 50 0 HHAAMN COc1cc2c(cc1OC)CN(C[C@@H](O)COCC13CC4CC(CC(C4)C1)C3)CC2 ZINC000010384069 571301712 /nfs/dbraw/zinc/30/17/12/571301712.db2.gz OQELHBPUHZQENY-VBSWXYJSSA-N 0 1 415.574 3.656 50 0 HHAAMN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(-c3ccco3)c1)CC2 ZINC000011784283 962190887 /nfs/dbraw/zinc/19/08/87/962190887.db2.gz AMRHSHCXFPAKSN-NRFANRHFSA-N 0 1 421.545 3.820 50 0 HHAAMN CC(C)Cc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)[nH]n1 ZINC000011934796 962210479 /nfs/dbraw/zinc/21/04/79/962210479.db2.gz SQQAOBPPPWUNQG-GOSISDBHSA-N 0 1 406.534 3.645 50 0 HHAAMN CC(C)Cc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 ZINC000011934796 962210495 /nfs/dbraw/zinc/21/04/95/962210495.db2.gz SQQAOBPPPWUNQG-GOSISDBHSA-N 0 1 406.534 3.645 50 0 HHAAMN O=C(c1cscn1)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 ZINC000012035896 962225006 /nfs/dbraw/zinc/22/50/06/962225006.db2.gz NQGZVVGEYMBTLQ-UHFFFAOYSA-N 0 1 405.523 3.736 50 0 HHAAMN C[C@@H](c1ccon1)N(C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012041239 962226160 /nfs/dbraw/zinc/22/61/60/962226160.db2.gz YOHOSSXKWIEJSP-ZFWWWQNUSA-N 0 1 405.882 3.631 50 0 HHAAMN C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000012218715 962256178 /nfs/dbraw/zinc/25/61/78/962256178.db2.gz OPWYJCANLDKKDT-INIZCTEOSA-N 0 1 424.570 3.789 50 0 HHAAMN O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(C1CCCC1)CC2 ZINC000014534649 962524427 /nfs/dbraw/zinc/52/44/27/962524427.db2.gz VYYWPARZHMJWQG-UHFFFAOYSA-N 0 1 421.570 3.619 50 0 HHAAMN COc1ccc(OCc2cc(C(=O)N3CCN(C4CCCC4)CC3)no2)c(Cl)c1 ZINC000014955749 962612704 /nfs/dbraw/zinc/61/27/04/962612704.db2.gz DFQOKAZFQPCFMU-UHFFFAOYSA-N 0 1 419.909 3.616 50 0 HHAAMN C[C@@H]1CN(CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000039510068 966495098 /nfs/dbraw/zinc/49/50/98/966495098.db2.gz GEAJAEVKGHTLRC-UZLBHIALSA-N 0 1 402.922 3.505 50 0 HHAAMN O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC000063846114 966975928 /nfs/dbraw/zinc/97/59/28/966975928.db2.gz AFTPBICBUCBAEZ-HNNXBMFYSA-N 0 1 409.500 3.564 50 0 HHAAMN Cc1cc(NC(=O)/C=C\c2ccc(N3CCCC3=O)cc2)ccc1N1CCN(C)CC1 ZINC000096936893 969057762 /nfs/dbraw/zinc/05/77/62/969057762.db2.gz IWIGOQFDCAPEDE-GHXNOFRVSA-N 0 1 418.541 3.526 50 0 HHAAMN CCOc1ccccc1CN1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104374979 969201362 /nfs/dbraw/zinc/20/13/62/969201362.db2.gz FMCQCQCOAYGEEY-HSZRJFAPSA-N 0 1 405.542 3.702 50 0 HHAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(Cc2ccccc2Cl)=NO1 ZINC000299769546 970722125 /nfs/dbraw/zinc/72/21/25/970722125.db2.gz QDZNABAZKAPUQE-HXUWFJFHSA-N 0 1 400.910 3.678 50 0 HHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000004711680 132285368 /nfs/dbraw/zinc/28/53/68/132285368.db2.gz SNQGBUPWWWNADW-UHFFFAOYSA-N 0 1 409.530 3.991 50 0 HHAAMN COc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000004791735 132288750 /nfs/dbraw/zinc/28/87/50/132288750.db2.gz OVYALIXIJIXEDH-UHFFFAOYSA-N 0 1 402.926 3.682 50 0 aggregator HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C ZINC000005099643 132301344 /nfs/dbraw/zinc/30/13/44/132301344.db2.gz YFLFGZSSACCBCG-UHFFFAOYSA-N 0 1 402.516 3.740 50 0 HHAAMN COc1cccc(NC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000006785722 132316445 /nfs/dbraw/zinc/31/64/45/132316445.db2.gz YSQCSQKQDGGFEN-UHFFFAOYSA-N 0 1 402.926 3.682 50 0 HHAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1noc2c1CCCCC2 ZINC000006901802 132320243 /nfs/dbraw/zinc/32/02/43/132320243.db2.gz KJZXYQQPCGQRKW-UHFFFAOYSA-N 0 1 416.953 3.539 50 0 HHAAMN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1C(F)(F)F ZINC000012606510 132365073 /nfs/dbraw/zinc/36/50/73/132365073.db2.gz JLOUEWPKMPUJBL-UHFFFAOYSA-N 0 1 420.840 3.996 50 0 HHAAMN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557932 520508796 /nfs/dbraw/zinc/50/87/96/520508796.db2.gz VVTIHSIMEIVWEJ-NRFANRHFSA-N 0 1 411.477 3.519 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000032678880 521700359 /nfs/dbraw/zinc/70/03/59/521700359.db2.gz LYVYYWUWYGQMNN-UHFFFAOYSA-N 0 1 405.445 3.691 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000030822868 522080062 /nfs/dbraw/zinc/08/00/62/522080062.db2.gz GDQVZFSKBCRDKE-UHFFFAOYSA-N 0 1 421.541 3.676 50 0 HHAAMN CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000032096169 523578589 /nfs/dbraw/zinc/57/85/89/523578589.db2.gz VMAVROJNIQYNGQ-UHFFFAOYSA-N 0 1 407.293 3.528 50 0 HHAAMN COc1ccc(CN2CCCN(C(=O)[C@H](C)Oc3ccccc3Cl)CC2)cc1 ZINC000032795857 524027069 /nfs/dbraw/zinc/02/70/69/524027069.db2.gz DQCSEFVEFZEVLA-KRWDZBQOSA-N 0 1 402.922 3.850 50 0 HHAAMN COc1cccc([C@@H](CNC(=O)c2cnn(-c3ccccc3F)c2C)N2CCCC2)c1 ZINC000032903432 524097707 /nfs/dbraw/zinc/09/77/07/524097707.db2.gz YDZPDTPNLKDNBF-HSZRJFAPSA-N 0 1 422.504 3.895 50 0 HHAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc2nc(C)c(C)nc2c1)N1CCCC1 ZINC000032841470 524732283 /nfs/dbraw/zinc/73/22/83/524732283.db2.gz UQAIPUVSSKDNJY-JOCHJYFZSA-N 0 1 404.514 3.822 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(OCc2cccnc2)cc1 ZINC000032078932 525078336 /nfs/dbraw/zinc/07/83/36/525078336.db2.gz SNIJBFVIUVEOJK-UHFFFAOYSA-N 0 1 416.525 3.973 50 0 HHAAMN O=C(Cc1cccc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000040845981 527273225 /nfs/dbraw/zinc/27/32/25/527273225.db2.gz OGEKWXKRWIIEPV-UHFFFAOYSA-N 0 1 418.478 3.612 50 0 HHAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005099578 536562547 /nfs/dbraw/zinc/56/25/47/536562547.db2.gz HVQFRZHUCLHYKM-UHFFFAOYSA-N 0 1 414.527 3.802 50 0 HHAAMN CCN1c2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)c3cccc(c23)C1=O ZINC000001448660 557267195 /nfs/dbraw/zinc/26/71/95/557267195.db2.gz AVOMNAQODOXAKO-UHFFFAOYSA-N 0 1 412.467 3.638 50 0 HHAAMN CCSCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000004451154 557555845 /nfs/dbraw/zinc/55/58/45/557555845.db2.gz NXGUFZBGEYIBFQ-AWEZNQCLSA-N 0 1 404.410 3.509 50 0 HHAAMN O=S(=O)(c1ccccc1)N(C[C@H](O)CN1CCCCC1)c1cccc2ccccc21 ZINC000005022560 557626761 /nfs/dbraw/zinc/62/67/61/557626761.db2.gz WTZFAWWTWNWLNK-OAQYLSRUSA-N 0 1 424.566 3.882 50 0 HHAAMN O=C(N[C@@H](Cc1ccccc1)C(=O)n1nnc2ccccc21)OCc1ccccc1 ZINC000006414212 557701697 /nfs/dbraw/zinc/70/16/97/557701697.db2.gz YKOJLKRZEWWYIH-FQEVSTJZSA-N 0 1 400.438 3.609 50 0 HHAAMN CCCOc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000008660941 557799059 /nfs/dbraw/zinc/79/90/59/557799059.db2.gz YXGBORLPUGNSBG-NRFANRHFSA-N 0 1 424.453 3.575 50 0 HHAAMN CCN1c2ccc(S(=O)(=O)Nc3cc(OC)cc(OC)c3)c3cccc(c23)C1=O ZINC000008715864 557801566 /nfs/dbraw/zinc/80/15/66/557801566.db2.gz UCFNMWIBPXKXHF-UHFFFAOYSA-N 0 1 412.467 3.638 50 0 HHAAMN CN1CCN([C@H](CNC(=O)NCc2cccc3ccccc32)c2ccsc2)CC1 ZINC000022767029 557815041 /nfs/dbraw/zinc/81/50/41/557815041.db2.gz YTJGCGUHMMDPTM-JOCHJYFZSA-N 0 1 408.571 3.689 50 0 HHAAMN O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1 ZINC000019731894 558259884 /nfs/dbraw/zinc/25/98/84/558259884.db2.gz CJVDGQNXVPOXBG-RHCLBKJASA-N 0 1 416.581 3.932 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 ZINC000011662066 558265851 /nfs/dbraw/zinc/26/58/51/558265851.db2.gz BBWDJJLHELVSKY-DEOSSOPVSA-N 0 1 422.504 3.610 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 ZINC000011662067 558265939 /nfs/dbraw/zinc/26/59/39/558265939.db2.gz BBWDJJLHELVSKY-XMMPIXPASA-N 0 1 422.504 3.610 50 0 HHAAMN COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)c1 ZINC000011784936 558275587 /nfs/dbraw/zinc/27/55/87/558275587.db2.gz XNORGPHZIHENGP-QGZVFWFLSA-N 0 1 407.518 3.866 50 0 HHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)Cc1ccc(F)cc1 ZINC000011816837 558280169 /nfs/dbraw/zinc/28/01/69/558280169.db2.gz DDFWTAXMXASTGI-UHFFFAOYSA-N 0 1 416.512 3.895 50 0 HHAAMN CCOC(=O)C[C@@H]1CCCCN1Cc1nc(-c2cccc(OC)c2OC)oc1C ZINC000011817604 558280859 /nfs/dbraw/zinc/28/08/59/558280859.db2.gz VMAFMSMIALRPPG-INIZCTEOSA-N 0 1 402.491 3.975 50 0 HHAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)n1 ZINC000011818391 558281600 /nfs/dbraw/zinc/28/16/00/558281600.db2.gz LBIXNSAMWTVEQR-UHFFFAOYSA-N 0 1 410.497 3.636 50 0 HHAAMN COc1ccc(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c(F)c1 ZINC000011820702 558283895 /nfs/dbraw/zinc/28/38/95/558283895.db2.gz CTSLFEBFVCHYSK-IBGZPJMESA-N 0 1 413.537 3.923 50 0 HHAAMN CC(C)OCCCNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011873519 558291173 /nfs/dbraw/zinc/29/11/73/558291173.db2.gz INXKZBICKQLOLD-UHFFFAOYSA-N 0 1 411.546 3.670 50 0 HHAAMN O=S(=O)(NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1)c1cccc2cccnc21 ZINC000011879233 558293856 /nfs/dbraw/zinc/29/38/56/558293856.db2.gz NBHNZGBDSRQDCF-ISPXXFMDSA-N 0 1 421.566 3.939 50 0 HHAAMN Cn1cc(CN2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cn1 ZINC000011881637 558295259 /nfs/dbraw/zinc/29/52/59/558295259.db2.gz TWNLWEGXBIHYRJ-JOCHJYFZSA-N 0 1 406.574 3.650 50 0 HHAAMN O=C1CCN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccc(F)cc1 ZINC000011910023 558296463 /nfs/dbraw/zinc/29/64/63/558296463.db2.gz WGZKCDKMCMPXGE-UHFFFAOYSA-N 0 1 406.461 3.643 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000011935756 558299946 /nfs/dbraw/zinc/29/99/46/558299946.db2.gz KHZKUQAPSQJZNT-CQSZACIVSA-N 0 1 404.898 3.651 50 0 HHAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012024624 558310031 /nfs/dbraw/zinc/31/00/31/558310031.db2.gz GYFHNYOPLYJYQB-INIZCTEOSA-N 0 1 406.933 3.830 50 0 HHAAMN O=C1c2ccccc2C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421522 558361816 /nfs/dbraw/zinc/36/18/16/558361816.db2.gz GFCRHKRRWVVLSB-UHFFFAOYSA-N 0 1 411.505 3.647 50 0 HHAAMN O=c1c(CNCc2ccc3c(c2)OCO3)cc2ccc(F)cc2n1Cc1cccnc1 ZINC000012248138 558362128 /nfs/dbraw/zinc/36/21/28/558362128.db2.gz OSRQLMACAHJOCZ-UHFFFAOYSA-N 0 1 417.440 3.602 50 0 HHAAMN O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000012299110 558369267 /nfs/dbraw/zinc/36/92/67/558369267.db2.gz NXNOJOWKIDNUQT-SANMLTNESA-N 0 1 406.570 3.710 50 0 HHAAMN Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N(C)C2CCOCC2)c1 ZINC000012306205 558374937 /nfs/dbraw/zinc/37/49/37/558374937.db2.gz FUCFIMXVQLJPGT-UHFFFAOYSA-N 0 1 423.557 3.684 50 0 HHAAMN CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012317976 558381473 /nfs/dbraw/zinc/38/14/73/558381473.db2.gz XHHVFPIFKNSBSN-XMMPIXPASA-N 0 1 423.557 3.766 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cc(Cl)ccc1Cl ZINC000020717766 558401819 /nfs/dbraw/zinc/40/18/19/558401819.db2.gz IECITPXDPHEHTG-CQSZACIVSA-N 0 1 402.241 3.774 50 0 HHAAMN Cc1nn(-c2ncccn2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000020730854 558406636 /nfs/dbraw/zinc/40/66/36/558406636.db2.gz ZGRHHLCWWYBALD-CYBMUJFWSA-N 0 1 412.247 3.691 50 0 HHAAMN Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012435044 558408840 /nfs/dbraw/zinc/40/88/40/558408840.db2.gz OKPPWGGAVDFNJZ-LJQANCHMSA-N 0 1 403.486 3.823 50 0 HHAAMN COc1cc(F)ccc1CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000012595388 558437419 /nfs/dbraw/zinc/43/74/19/558437419.db2.gz XDYLGOIMQBJZMH-UHFFFAOYSA-N 0 1 409.465 3.515 50 0 HHAAMN CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359339 558451034 /nfs/dbraw/zinc/45/10/34/558451034.db2.gz LWTLWGHCENYPOU-UHFFFAOYSA-N 0 1 409.920 3.948 50 0 HHAAMN Cc1cc2sc(N(CCN(C)C)C(=O)[C@H]3COc4ccccc4O3)nc2c(C)c1 ZINC000004359396 558451600 /nfs/dbraw/zinc/45/16/00/558451600.db2.gz QKLLJECTIYCPLW-GOSISDBHSA-N 0 1 411.527 3.648 50 0 HHAAMN O[C@@H](COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022030025 558459077 /nfs/dbraw/zinc/45/90/77/558459077.db2.gz XJARCBWQBOGRIF-HSZRJFAPSA-N 0 1 406.526 3.564 50 0 HHAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cn1 ZINC000012757864 558460399 /nfs/dbraw/zinc/46/03/99/558460399.db2.gz NCTRMYRUGNIJRX-UHFFFAOYSA-N 0 1 420.561 3.898 50 0 HHAAMN C[C@H](CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)NC(=O)c1ccccc1 ZINC000022619695 558503021 /nfs/dbraw/zinc/50/30/21/558503021.db2.gz MARZVFGFFSPATJ-DYESRHJHSA-N 0 1 413.949 3.802 50 0 HHAAMN O=c1c2ccccc2cnn1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022913163 558520217 /nfs/dbraw/zinc/52/02/17/558520217.db2.gz YLAPELBYAXVNSL-UHFFFAOYSA-N 0 1 410.521 3.761 50 0 HHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CCOc2ccccc2OC)CC1 ZINC000023139738 558537555 /nfs/dbraw/zinc/53/75/55/558537555.db2.gz NEQBYZOPAVINBZ-UHFFFAOYSA-N 0 1 417.937 3.898 50 0 HHAAMN OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1Cc1ccccc1 ZINC000023360410 558551879 /nfs/dbraw/zinc/55/18/79/558551879.db2.gz ABXUNKFPSUJBEL-QHCPKHFHSA-N 0 1 422.960 3.866 50 0 HHAAMN O=C1c2ccccc2[C@H](NCCCN2CCOCC2)N1[C@H]1CCCc2ccccc21 ZINC000023504882 558560209 /nfs/dbraw/zinc/56/02/09/558560209.db2.gz ZCEQVZRJMTYIAP-BJKOFHAPSA-N 0 1 405.542 3.531 50 0 HHAAMN Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000024985323 558624771 /nfs/dbraw/zinc/62/47/71/558624771.db2.gz SDNYVZVJYMFPNP-MTNXOHHFSA-N 0 1 405.542 3.571 50 0 HHAAMN Cc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049033 558628558 /nfs/dbraw/zinc/62/85/58/558628558.db2.gz ZPNJQMMHMHYALU-VLIAUNLRSA-N 0 1 406.511 3.932 50 0 HHAAMN C[C@@H]1Sc2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2NC1=O ZINC000014226672 558638837 /nfs/dbraw/zinc/63/88/37/558638837.db2.gz WWXBMDSNJLUCQZ-XJKSGUPXSA-N 0 1 401.557 3.748 50 0 HHAAMN Cc1ccc(OCCCN2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1C ZINC000025946554 558652624 /nfs/dbraw/zinc/65/26/24/558652624.db2.gz NKMSJRNFKXNAEX-UHFFFAOYSA-N 0 1 402.560 3.515 50 0 HHAAMN O=c1[nH]c2ccc([S@](=O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1 ZINC000027299445 558671858 /nfs/dbraw/zinc/67/18/58/558671858.db2.gz FCBQJNCAKZSIAH-NDEPHWFRSA-N 0 1 402.491 3.735 50 0 in-man HHAAMN CN1CCN([C@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000027793505 558682652 /nfs/dbraw/zinc/68/26/52/558682652.db2.gz LFBHIGZUDFBARN-HXUWFJFHSA-N 0 1 406.357 3.641 50 0 HHAAMN O=C(c1ccc2c(c1)OCCO2)N1CCC(c2[nH]ncc2CCc2ccccc2)CC1 ZINC000014984229 558692696 /nfs/dbraw/zinc/69/26/96/558692696.db2.gz DATFANGROCWBNW-UHFFFAOYSA-N 0 1 417.509 3.986 50 0 HHAAMN COc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F ZINC000015067779 558710450 /nfs/dbraw/zinc/71/04/50/558710450.db2.gz KEKNIEFKMHPULN-SFHVURJKSA-N 0 1 408.477 3.871 50 0 HHAAMN COc1ccc(NC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c(OC)c1 ZINC000015070895 558712835 /nfs/dbraw/zinc/71/28/35/558712835.db2.gz SQLPRJQZNYCZBJ-HXUWFJFHSA-N 0 1 424.545 3.522 50 0 HHAAMN COc1ccc2ccc(OC)c(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2c1 ZINC000000665099 558829898 /nfs/dbraw/zinc/82/98/98/558829898.db2.gz DQSZVSBAWIWNHF-UYRXBGFRSA-N 0 1 408.454 3.652 50 0 HHAAMN Cc1nn(C)cc1CN(C)Cc1ccc(-c2nc(C(F)(F)F)c(C)c(=O)[nH]2)cc1 ZINC000048488375 558845559 /nfs/dbraw/zinc/84/55/59/558845559.db2.gz LYLNFELOXWGCAC-UHFFFAOYSA-N 0 1 405.424 3.850 50 0 HHAAMN O=C(NCc1ccccc1)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071261 558866544 /nfs/dbraw/zinc/86/65/44/558866544.db2.gz MEZJPOVUDBHGAZ-HNNXBMFYSA-N 0 1 413.319 3.858 50 0 HHAAMN Cn1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055243770 558877115 /nfs/dbraw/zinc/87/71/15/558877115.db2.gz PGTYKWABHGMNOT-UHFFFAOYSA-N 0 1 424.932 3.834 50 0 HHAAMN C/C(=C\c1ccco1)CN1CCc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000055568757 558882932 /nfs/dbraw/zinc/88/29/32/558882932.db2.gz CAPFZVDNLCGGMR-POWXATIXSA-N 0 1 419.529 3.632 50 0 HHAAMN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cnc(SC)nc2)C1 ZINC000055576121 558883172 /nfs/dbraw/zinc/88/31/72/558883172.db2.gz BOIDZSPBIWRGQC-QFIPXVFZSA-N 0 1 415.559 3.595 50 0 HHAAMN COc1ccc(C[N@@H+](C)Cc2cc(=O)n3[n-]c(-c4ccc(C)cc4)cc3n2)cc1OC ZINC000033126345 558883970 /nfs/dbraw/zinc/88/39/70/558883970.db2.gz QGNQMVSCIXAMSM-UHFFFAOYSA-N 0 1 418.497 3.647 50 0 HHAAMN CC[C@H](C)NC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21 ZINC000033129356 558885343 /nfs/dbraw/zinc/88/53/43/558885343.db2.gz VDEMXSAIXPDXAA-KRWDZBQOSA-N 0 1 409.534 3.838 50 0 HHAAMN COc1cc(CN2CCC(NC(=O)Nc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000057530807 558888939 /nfs/dbraw/zinc/88/89/39/558888939.db2.gz SXQXQYFGXSGGOE-UHFFFAOYSA-N 0 1 413.518 3.807 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1 ZINC000033171262 558899970 /nfs/dbraw/zinc/89/99/70/558899970.db2.gz ZHVSTCXOOLQMNH-UHFFFAOYSA-N 0 1 416.455 3.832 50 0 HHAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCc1ccccc1 ZINC000033173886 558902161 /nfs/dbraw/zinc/90/21/61/558902161.db2.gz FJHTVNWWBNVSJZ-UHFFFAOYSA-N 0 1 401.435 3.944 50 0 HHAAMN O=C(OCc1cc2c(cc1Br)OCCO2)c1cc(-c2ccco2)n[nH]1 ZINC000058283055 558916434 /nfs/dbraw/zinc/91/64/34/558916434.db2.gz BEEHTPDIXGVEOQ-UHFFFAOYSA-N 0 1 405.204 3.560 50 0 HHAAMN CCCCN1Cc2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2C1 ZINC000058325550 558919795 /nfs/dbraw/zinc/91/97/95/558919795.db2.gz LBFOPDQFPDQJMO-UHFFFAOYSA-N 0 1 401.532 3.735 50 0 HHAAMN COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000023157078 559022044 /nfs/dbraw/zinc/02/20/44/559022044.db2.gz LPUXTZWNWDSBQR-PXAZEXFGSA-N 0 1 402.520 3.643 50 0 HHAAMN C=Cc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095354964 559079874 /nfs/dbraw/zinc/07/98/74/559079874.db2.gz WJBNAUGKYZVUPO-TUACAJSNSA-N 0 1 402.494 3.761 50 0 HHAAMN COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CCN(C)C ZINC000011614657 559114520 /nfs/dbraw/zinc/11/45/20/559114520.db2.gz YDKLJGHHCOCUEO-IBGZPJMESA-N 0 1 412.873 3.562 50 0 HHAAMN COC(=O)C1CCN(C(=O)c2ccc(-c3[nH]nc4c3COc3ccccc3-4)cc2)CC1 ZINC000023332066 559170704 /nfs/dbraw/zinc/17/07/04/559170704.db2.gz UMHKGFYSMVZTGI-UHFFFAOYSA-N 0 1 417.465 3.661 50 0 HHAAMN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000023359884 559173193 /nfs/dbraw/zinc/17/31/93/559173193.db2.gz GAIJPMJBASKIRZ-UTKZUKDTSA-N 0 1 421.919 3.876 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc2c(c1)OCCCO2 ZINC000004877763 559195563 /nfs/dbraw/zinc/19/55/63/559195563.db2.gz REJXJIYORLYLJX-UHFFFAOYSA-N 0 1 400.435 3.503 50 0 HHAAMN CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1F ZINC000004878918 559195927 /nfs/dbraw/zinc/19/59/27/559195927.db2.gz MHPDEOHIHHFETI-HNNXBMFYSA-N 0 1 409.259 3.812 50 0 HHAAMN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005097307 559245086 /nfs/dbraw/zinc/24/50/86/559245086.db2.gz GCJDGLFVVWWIMP-JOCHJYFZSA-N 0 1 402.535 3.938 50 0 HHAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)OCCO4)nc2c1C ZINC000005121563 559248517 /nfs/dbraw/zinc/24/85/17/559248517.db2.gz ZOVNSCICTZVZSW-UHFFFAOYSA-N 0 1 411.527 3.893 50 0 HHAAMN CN(C)[C@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000100792622 559267405 /nfs/dbraw/zinc/26/74/05/559267405.db2.gz OYBOOSWHSZRNLY-RDGATRHJSA-N 0 1 412.493 3.662 50 0 biogenic HHAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)n2)cc1 ZINC000005180059 559289327 /nfs/dbraw/zinc/28/93/27/559289327.db2.gz XNYMZKXRJULTKZ-ZDUSSCGKSA-N 0 1 401.536 3.673 50 0 HHAAMN COc1ccc(-c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)nn1 ZINC000005204259 560538504 /nfs/dbraw/zinc/53/85/04/560538504.db2.gz NWTFKYGBSZRTQJ-UHFFFAOYSA-N 0 1 409.389 3.972 50 0 HHAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1cccc(O)c1 ZINC000005343623 560566571 /nfs/dbraw/zinc/56/65/71/560566571.db2.gz XETDOPASQLIBDR-FQEVSTJZSA-N 0 1 413.861 3.641 50 0 HHAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 ZINC000005340498 560567299 /nfs/dbraw/zinc/56/72/99/560567299.db2.gz LRADSPOGRVMFGW-NRFANRHFSA-N 0 1 411.889 3.844 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)c(C)c1 ZINC000008901638 560640167 /nfs/dbraw/zinc/64/01/67/560640167.db2.gz SSAKUQJGLGRXDU-IBGZPJMESA-N 0 1 408.589 3.961 50 0 HHAAMN CC(C)[C@H](NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1)c1cccs1 ZINC000101791590 560801396 /nfs/dbraw/zinc/80/13/96/560801396.db2.gz YPOFNKGTKQCZPF-SFHVURJKSA-N 0 1 407.561 3.731 50 0 HHAAMN Cc1ccc(N2C(=O)C3ON=C(c4ccccc4Cl)[C@@H]3C2=O)c(Br)c1 ZINC000102935745 560835675 /nfs/dbraw/zinc/83/56/75/560835675.db2.gz BRNQLZKRFOUKMS-GOEBONIOSA-N 0 1 419.662 3.703 50 0 HHAAMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c(C)c1 ZINC000085690518 560853173 /nfs/dbraw/zinc/85/31/73/560853173.db2.gz XACJCYOOBXPFJA-SFHVURJKSA-N 0 1 403.486 3.579 50 0 HHAAMN CCOc1cc(C(=O)OC)cc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1OCC ZINC000051315675 560856098 /nfs/dbraw/zinc/85/60/98/560856098.db2.gz FLRTWALPRVGGFE-UHFFFAOYSA-N 0 1 415.471 3.975 50 0 HHAAMN CCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3OCC)ccc2OC)n1 ZINC000046020204 568423848 /nfs/dbraw/zinc/42/38/48/568423848.db2.gz PCBDHXKFSYPRJB-UHFFFAOYSA-N 0 1 417.487 3.897 50 0 HHAAMN Cc1nc2c(cnn2-c2ccc(F)cc2)c(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000048355069 568441429 /nfs/dbraw/zinc/44/14/29/568441429.db2.gz XAIHYNMIVFMAHX-GJZGRUSLSA-N 0 1 412.513 3.563 50 0 HHAAMN CCOC(=O)c1sc2cccc(F)c2c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000022777083 568499486 /nfs/dbraw/zinc/49/94/86/568499486.db2.gz AVIQOXDRCFCZPU-HNNXBMFYSA-N 0 1 406.523 3.514 50 0 HHAAMN Cc1ccc(NC(=S)N(CCCN2CCN(C)CC2)Cc2ccco2)cc1C ZINC000020107749 568588181 /nfs/dbraw/zinc/58/81/81/568588181.db2.gz FDHHSLVFZDPIIW-UHFFFAOYSA-N 0 1 400.592 3.733 50 0 HHAAMN COc1cccc(NC(=S)N(CCCN2CCN(C)CC2)Cc2cccs2)c1 ZINC000020107661 568588235 /nfs/dbraw/zinc/58/82/35/568588235.db2.gz ICQQHUDCPZISJJ-UHFFFAOYSA-N 0 1 418.632 3.593 50 0 HHAAMN Cc1ccccc1NC(=O)CN(C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095448084 568612503 /nfs/dbraw/zinc/61/25/03/568612503.db2.gz ATKYBXRUJYXFFY-UHFFFAOYSA-N 0 1 412.509 3.949 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c(C)n1C ZINC000021030396 568659355 /nfs/dbraw/zinc/65/93/55/568659355.db2.gz ZHHPWCGICWQNMB-UHFFFAOYSA-N 0 1 417.575 3.932 50 0 HHAAMN CN(C(=O)CN[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nccs1 ZINC000096012776 568685131 /nfs/dbraw/zinc/68/51/31/568685131.db2.gz MORQTFKGTOLBHH-GOSISDBHSA-N 0 1 408.518 3.589 50 0 HHAAMN Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000000852092 568712584 /nfs/dbraw/zinc/71/25/84/568712584.db2.gz VLGMFPYZEZJNTP-MDWZMJQESA-N 0 1 422.510 3.855 50 0 HHAAMN C[C@@H](C(=O)NCc1ccco1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096287051 568719400 /nfs/dbraw/zinc/71/94/00/568719400.db2.gz PANNZZHCCSBAHB-FQEVSTJZSA-N 0 1 403.526 3.692 50 0 HHAAMN COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000239358361 568729033 /nfs/dbraw/zinc/72/90/33/568729033.db2.gz NCPYNQDHIIBZIX-IBPRQYQWSA-N 0 1 404.595 3.656 50 0 HHAAMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1Cl ZINC000096324757 568734286 /nfs/dbraw/zinc/73/42/86/568734286.db2.gz YTQQDLQREZWVRI-INIZCTEOSA-N 0 1 423.904 3.924 50 0 HHAAMN Cc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022582551 568770710 /nfs/dbraw/zinc/77/07/10/568770710.db2.gz WVTFHPUYSZVFIV-RUZDIDTESA-N 0 1 417.553 3.632 50 0 HHAAMN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478407 568839735 /nfs/dbraw/zinc/83/97/35/568839735.db2.gz TVELQLYLOVJXOR-QHCPKHFHSA-N 0 1 421.541 3.942 50 0 HHAAMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012525945 568842819 /nfs/dbraw/zinc/84/28/19/568842819.db2.gz RGPWSGMZONJWHN-UHFFFAOYSA-N 0 1 404.669 3.690 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(C)n2)ccc1C ZINC000012526344 568843253 /nfs/dbraw/zinc/84/32/53/568843253.db2.gz NCHZEAHRGAQSPJ-UHFFFAOYSA-N 0 1 411.483 3.760 50 0 HHAAMN CCCn1c(CN[C@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012559451 568857155 /nfs/dbraw/zinc/85/71/55/568857155.db2.gz GAMQGVLSWZUWKZ-QGZVFWFLSA-N 0 1 414.575 3.856 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)CCc3ccc(-c4ccccc4F)o3)cn2)CC1 ZINC000012613986 568871901 /nfs/dbraw/zinc/87/19/01/568871901.db2.gz HKFXPRSJFOXVOE-UHFFFAOYSA-N 0 1 408.477 3.804 50 0 HHAAMN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617549 568872122 /nfs/dbraw/zinc/87/21/22/568872122.db2.gz YBMMTGPAAXNDSS-DOTOQJQBSA-N 0 1 423.538 3.909 50 0 HHAAMN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635639 568921627 /nfs/dbraw/zinc/92/16/27/568921627.db2.gz VLVQCMZYWQWOOB-UHFFFAOYSA-N 0 1 417.490 3.966 50 0 HHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000031810050 568932186 /nfs/dbraw/zinc/93/21/86/568932186.db2.gz MFMBOPGFMXDFSQ-LLVKDONJSA-N 0 1 414.256 3.628 50 0 HHAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000031810046 568932241 /nfs/dbraw/zinc/93/22/41/568932241.db2.gz MFMBOPGFMXDFSQ-NSHDSACASA-N 0 1 414.256 3.628 50 0 HHAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000015679257 568966690 /nfs/dbraw/zinc/96/66/90/568966690.db2.gz DAKIPXFRGWMNRC-UHFFFAOYSA-N 0 1 416.934 3.628 50 0 HHAAMN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2ccccc2o1 ZINC000008132064 568975682 /nfs/dbraw/zinc/97/56/82/568975682.db2.gz CZGQKITYMDNPKX-UHFFFAOYSA-N 0 1 411.417 3.573 50 0 HHAAMN Cc1ccccc1-c1n[nH]c(SCc2cc(=O)n3nc(CC(C)C)sc3n2)n1 ZINC000015731852 568982005 /nfs/dbraw/zinc/98/20/05/568982005.db2.gz IGJGKGNWRYYCOU-UHFFFAOYSA-N 0 1 412.544 3.735 50 0 HHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205051 569003385 /nfs/dbraw/zinc/00/33/85/569003385.db2.gz KKDJBCNEHGHMKE-HXUWFJFHSA-N 0 1 413.905 3.643 50 0 HHAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000012941840 569028719 /nfs/dbraw/zinc/02/87/19/569028719.db2.gz YEXNIWZJGOUGCL-QFIPXVFZSA-N 0 1 409.530 3.953 50 0 HHAAMN CC[C@H](C(=O)Nc1cccc(OC)c1)N1CCC(C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000035345636 569033368 /nfs/dbraw/zinc/03/33/68/569033368.db2.gz SOYKFOSHRMINEH-NPPFBWRTSA-N 0 1 415.578 3.629 50 0 HHAAMN CCc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000035360364 569033664 /nfs/dbraw/zinc/03/36/64/569033664.db2.gz MIPIVZINQFSHFR-IMQCZEGASA-N 0 1 419.569 3.825 50 0 HHAAMN Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 ZINC000090607872 569042093 /nfs/dbraw/zinc/04/20/93/569042093.db2.gz LSVNLAZFWSKVLR-UHFFFAOYSA-N 0 1 410.909 3.892 50 0 HHAAMN O=C([C@H]1CC[C@H](O)CC1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000240971744 569054606 /nfs/dbraw/zinc/05/46/06/569054606.db2.gz UCCFHIDCRPXHGE-BJLQDIEVSA-N 0 1 406.517 3.576 50 0 HHAAMN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000006576875 569066779 /nfs/dbraw/zinc/06/67/79/569066779.db2.gz ODAQEXPEXRLXOF-VSKRKVRLSA-N 0 1 400.434 3.746 50 0 HHAAMN COc1cccc(CN(Cc2ccccc2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103637 569092417 /nfs/dbraw/zinc/09/24/17/569092417.db2.gz NWDIHKQJEHSWQA-NRFANRHFSA-N 0 1 411.498 3.877 50 0 HHAAMN O[C@@H](COCc1ccco1)CN(CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147643 569098556 /nfs/dbraw/zinc/09/85/56/569098556.db2.gz MEBPLAYPCJMECK-LJQANCHMSA-N 0 1 423.469 3.545 50 0 HHAAMN CC(C)COC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146236 569098635 /nfs/dbraw/zinc/09/86/35/569098635.db2.gz RWTSNIIHWPDSRX-RTWAWAEBSA-N 0 1 414.521 3.854 50 0 HHAAMN CCOC(=O)c1c(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C ZINC000064863088 569111321 /nfs/dbraw/zinc/11/13/21/569111321.db2.gz IXRAUZKRYSPOHT-UHFFFAOYSA-N 0 1 404.410 3.638 50 0 HHAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006752933 569111667 /nfs/dbraw/zinc/11/16/67/569111667.db2.gz IIYQENYFGUAPHW-OAQYLSRUSA-N 0 1 423.469 3.763 50 0 HHAAMN CCCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340799 569141484 /nfs/dbraw/zinc/14/14/84/569141484.db2.gz VPISIIBXDVHUJC-OAQYLSRUSA-N 0 1 414.569 3.750 50 0 HHAAMN CC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036340459 569141708 /nfs/dbraw/zinc/14/17/08/569141708.db2.gz KXUUGFXANVSBBF-QHCPKHFHSA-N 0 1 416.569 3.936 50 0 HHAAMN CCN(CC)c1nc(C(=O)N2CCN(C3CCCCC3)CC2)nc2nc(C)cc(C)c21 ZINC000065232098 569201285 /nfs/dbraw/zinc/20/12/85/569201285.db2.gz GHIQUCLWVJNESY-UHFFFAOYSA-N 0 1 424.593 3.578 50 0 HHAAMN CCN1c2ccc(C(=O)N3CCN(CC(C)C)CC3)cc2Sc2ncccc2C1=O ZINC000065241371 569204030 /nfs/dbraw/zinc/20/40/30/569204030.db2.gz DMKAIEJJHMLNQG-UHFFFAOYSA-N 0 1 424.570 3.627 50 0 HHAAMN Cc1[nH]c(S[C@@H](C)C(=O)NC(=O)NCc2ccccc2)nc1Cc1ccccc1 ZINC000007099334 569218713 /nfs/dbraw/zinc/21/87/13/569218713.db2.gz QMARIIOBPAAXAB-INIZCTEOSA-N 0 1 408.527 3.816 50 0 HHAAMN COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CN2CCCCCC2)cc1=O ZINC000016974470 569269676 /nfs/dbraw/zinc/26/96/76/569269676.db2.gz ZDVFZDGLQRTINC-UHFFFAOYSA-N 0 1 403.910 3.525 50 0 HHAAMN Cc1scc2nc(C(=O)N3CCN(C4CCCCC4)CC3)nc(N3CCCC3)c12 ZINC000065283202 569364109 /nfs/dbraw/zinc/36/41/09/569364109.db2.gz WHGIZXKMWDRJHR-UHFFFAOYSA-N 0 1 413.591 3.690 50 0 HHAAMN COc1ccc([C@@H](CC(=O)Nc2cccc(OC)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470792 569380993 /nfs/dbraw/zinc/38/09/93/569380993.db2.gz DSFDLACOASROGJ-LJQANCHMSA-N 0 1 409.438 3.832 50 0 HHAAMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000078995727 569423092 /nfs/dbraw/zinc/42/30/92/569423092.db2.gz PINXXAZZMJLSJF-QGZVFWFLSA-N 0 1 424.932 3.968 50 0 HHAAMN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000079061386 569426292 /nfs/dbraw/zinc/42/62/92/569426292.db2.gz GDBVDXGWCOOBRV-UHFFFAOYSA-N 0 1 413.826 3.563 50 0 HHAAMN COc1ccc(CN2CCC(NC(=O)c3cccc4c3ccn4C)CC2)cc1OC ZINC000079478118 569431620 /nfs/dbraw/zinc/43/16/20/569431620.db2.gz JAKIDGDDURJFGY-UHFFFAOYSA-N 0 1 407.514 3.590 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[n-]c(=O)c2C1 ZINC000067291737 571068235 /nfs/dbraw/zinc/06/82/35/571068235.db2.gz HSTTUIDKEXQJRT-UHFFFAOYSA-N 0 1 400.548 3.805 50 0 HHAAMN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000008549530 571078084 /nfs/dbraw/zinc/07/80/84/571078084.db2.gz KFNSIXGYIONWMI-OAQYLSRUSA-N 0 1 406.482 3.525 50 0 HHAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H]3c3cccs3)n2)cc1 ZINC000039975833 571135354 /nfs/dbraw/zinc/13/53/54/571135354.db2.gz VLBWJILVRMYTMR-HNNXBMFYSA-N 0 1 400.529 3.998 50 0 HHAAMN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000008974867 571197808 /nfs/dbraw/zinc/19/78/08/571197808.db2.gz SQUCAUCERUEPOO-SFHVURJKSA-N 0 1 423.416 3.960 50 0 HHAAMN CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2cccc(F)c2)C3)c1C ZINC000069656420 571236976 /nfs/dbraw/zinc/23/69/76/571236976.db2.gz GWMBZVPGFRLXLJ-INIZCTEOSA-N 0 1 421.520 3.801 50 0 HHAAMN CSc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc3[nH]c(=O)[nH]c(=O)c32)cc1 ZINC000009486096 571262403 /nfs/dbraw/zinc/26/24/03/571262403.db2.gz DFANCYQUTNXHCG-UHFFFAOYSA-N 0 1 415.478 3.648 50 0 HHAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)ccc1O ZINC000009499677 571263304 /nfs/dbraw/zinc/26/33/04/571263304.db2.gz VFTNGXHREKLCOO-UHFFFAOYSA-N 0 1 422.510 3.843 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cccc(Cl)c2)c(C)n1C ZINC000009684929 571279582 /nfs/dbraw/zinc/27/95/82/571279582.db2.gz DAXRKMZMJFTTCK-UHFFFAOYSA-N 0 1 409.939 3.722 50 0 HHAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000010186587 571295985 /nfs/dbraw/zinc/29/59/85/571295985.db2.gz LQXWPUGHBZVSIT-UHFFFAOYSA-N 0 1 415.471 3.696 50 0 HHAAMN COc1cc2c(cc1OC)CN(C[C@H](O)COCC13CC4CC(CC(C4)C1)C3)CC2 ZINC000010384065 571301741 /nfs/dbraw/zinc/30/17/41/571301741.db2.gz OQELHBPUHZQENY-KIZRYQFWSA-N 0 1 415.574 3.656 50 0 HHAAMN CCN1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098298 571314789 /nfs/dbraw/zinc/31/47/89/571314789.db2.gz LNGFFJDPZYEZGH-XMMPIXPASA-N 0 1 421.541 3.539 50 0 aggregator HHAAMN CC1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036344412 571317437 /nfs/dbraw/zinc/31/74/37/571317437.db2.gz ILJBWGBJVXRBET-OAQYLSRUSA-N 0 1 405.498 3.825 50 0 HHAAMN Cc1cccc(CNCc2cc(NS(C)(=O)=O)cc(C(=O)Nc3ccccc3)c2)c1 ZINC000011785289 962190696 /nfs/dbraw/zinc/19/06/96/962190696.db2.gz NEBSGBUXNQQNOE-UHFFFAOYSA-N 0 1 423.538 3.909 50 0 HHAAMN CCS(=O)(=O)N1CCC(Oc2cccc(CN(C)Cc3ccsc3)c2)CC1 ZINC000011839971 962201044 /nfs/dbraw/zinc/20/10/44/962201044.db2.gz YUSYSBIWONFCRY-UHFFFAOYSA-N 0 1 408.589 3.573 50 0 HHAAMN CCCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)n1 ZINC000011874150 962205155 /nfs/dbraw/zinc/20/51/55/962205155.db2.gz XMYPAZHFDXHTBW-UHFFFAOYSA-N 0 1 410.562 3.881 50 0 HHAAMN C/C=C(\C)CN1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1 ZINC000012191130 962250800 /nfs/dbraw/zinc/25/08/00/962250800.db2.gz RJKDTSKGNWOJSD-MRJCOXNESA-N 0 1 410.543 3.589 50 0 HHAAMN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000012304856 962268664 /nfs/dbraw/zinc/26/86/64/962268664.db2.gz MQYKODBZYVZRAK-XMMPIXPASA-N 0 1 421.497 3.818 50 0 HHAAMN O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012316692 962270449 /nfs/dbraw/zinc/27/04/49/962270449.db2.gz CZILDDLRPFCOLN-SFHVURJKSA-N 0 1 407.493 3.740 50 0 HHAAMN CCn1nc(C)c(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)c1C ZINC000012445467 962280919 /nfs/dbraw/zinc/28/09/19/962280919.db2.gz PJFFKJVGHCTBES-UHFFFAOYSA-N 0 1 422.577 3.782 50 0 HHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)n2)o1 ZINC000012840306 962338148 /nfs/dbraw/zinc/33/81/48/962338148.db2.gz PVMLWQZUOWCCGW-FNORWQNLSA-N 0 1 420.397 3.929 50 0 HHAAMN O=C1CN(C2Cc3ccccc3C2)C[C@H](OCc2ccccn2)CN1C1CCCCC1 ZINC000014531591 962524766 /nfs/dbraw/zinc/52/47/66/962524766.db2.gz XDDPWSDYICWHCV-VWLOTQADSA-N 0 1 419.569 3.611 50 0 HHAAMN O=C1CCN(Cc2ccc3c(c2)OCCO3)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000014964536 962615148 /nfs/dbraw/zinc/61/51/48/962615148.db2.gz SYCWKMFRDWCJJM-UHFFFAOYSA-N 0 1 420.431 3.711 50 0 HHAAMN COc1cccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)N(C)C)c1 ZINC000018017002 963251837 /nfs/dbraw/zinc/25/18/37/963251837.db2.gz FIVCEQWLRKACKK-HXUWFJFHSA-N 0 1 407.470 3.573 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071661515 968853401 /nfs/dbraw/zinc/85/34/01/968853401.db2.gz ROCOHXSCIJWISJ-KRWDZBQOSA-N 0 1 405.454 3.995 50 0 HHAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071661515 968853410 /nfs/dbraw/zinc/85/34/10/968853410.db2.gz ROCOHXSCIJWISJ-KRWDZBQOSA-N 0 1 405.454 3.995 50 0 HHAAMN CC[C@@H](C)N1CCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000107472803 969309897 /nfs/dbraw/zinc/30/98/97/969309897.db2.gz DQPCWHBNKVGLBC-QGZVFWFLSA-N 0 1 413.537 3.842 50 0 HHAAMN O=C(NC[C@H]1CN(Cc2ccc(Cl)c(F)c2)CC12CCOCC2)N1CCCC1 ZINC000257174129 970616142 /nfs/dbraw/zinc/61/61/42/970616142.db2.gz CNIUSILFQKTRKW-KRWDZBQOSA-N 0 1 409.933 3.513 50 0 HHAAMN O=C(c1cccnc1)N1CCC([C@@H]2c3nccn3CCCN2Cc2ccccc2)CC1 ZINC000257188274 970622128 /nfs/dbraw/zinc/62/21/28/970622128.db2.gz FABJQUVSEXBIBU-HSZRJFAPSA-N 0 1 415.541 3.778 50 0 HHAAMN CC(C)CN1CCO[C@@H](CSc2nc3ccccc3c(=O)n2Cc2ccccc2)C1 ZINC000023817427 519729973 /nfs/dbraw/zinc/72/99/73/519729973.db2.gz HAMQRFXQEGSFDN-HXUWFJFHSA-N 0 1 423.582 3.894 50 0 HHAAMN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020578032 521397207 /nfs/dbraw/zinc/39/72/07/521397207.db2.gz XYEHKMBOKWPGJM-UHFFFAOYSA-N 0 1 420.409 3.518 50 0 HHAAMN CCCn1c2ccccc2nc1[C@@H]1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 ZINC000041146215 521640364 /nfs/dbraw/zinc/64/03/64/521640364.db2.gz AQJAGFWVQARZDA-HXUWFJFHSA-N 0 1 404.470 3.818 50 0 HHAAMN CC(=O)N1CCOc2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c(Cl)cc21 ZINC000006893130 534801290 /nfs/dbraw/zinc/80/12/90/534801290.db2.gz GWJCDHRNGGLCRZ-UHFFFAOYSA-N 0 1 415.298 3.848 50 0 HHAAMN Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000032307318 525051233 /nfs/dbraw/zinc/05/12/33/525051233.db2.gz NCYBRIVBTVGIKN-UHFFFAOYSA-N 0 1 406.461 3.559 50 0 HHAAMN Cn1c2ccc(S(=O)(=O)Nc3ccccc3SC3CCCC3)cc2oc1=O ZINC000032094415 527105146 /nfs/dbraw/zinc/10/51/46/527105146.db2.gz JUMFGOZUNMUUFQ-UHFFFAOYSA-N 0 1 404.513 3.967 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2OC)cc1 ZINC000000705296 557063637 /nfs/dbraw/zinc/06/36/37/557063637.db2.gz VMVAODVUNFOTPR-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN CCOc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc(C)cc2)cc1OC ZINC000000716239 557068078 /nfs/dbraw/zinc/06/80/78/557068078.db2.gz RSRZJOGQVUZDJP-NRFANRHFSA-N 0 1 410.470 3.774 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1 ZINC000000835974 557096434 /nfs/dbraw/zinc/09/64/34/557096434.db2.gz DQADLPSRODRHAL-MDWZMJQESA-N 0 1 408.483 3.546 50 0 HHAAMN CCOc1cccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCC(Cl)(Cl)Cl)c1 ZINC000000847621 557099923 /nfs/dbraw/zinc/09/99/23/557099923.db2.gz BGPXPGQOVRRHOW-ZDUSSCGKSA-N 0 1 407.681 3.627 50 0 HHAAMN COC(=O)C1=C(Nc2ccccc2NS(=O)(=O)c2ccccc2Cl)CSC1 ZINC000001037659 557151365 /nfs/dbraw/zinc/15/13/65/557151365.db2.gz NYNXKAMLRFBNRZ-UHFFFAOYSA-N 0 1 424.931 3.727 50 0 HHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000001169013 557222724 /nfs/dbraw/zinc/22/27/24/557222724.db2.gz HGCKKFMSIKZJHO-GOSISDBHSA-N 0 1 416.861 3.686 50 0 HHAAMN CCOC(=O)C1C(CN2CCc3ccccc32)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001422133 557260882 /nfs/dbraw/zinc/26/08/82/557260882.db2.gz OFFZKTJNQXZMNU-FQEVSTJZSA-N 0 1 411.889 3.574 50 0 aggregator HHAAMN Cc1ccccc1-c1noc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)n1 ZINC000033292192 557313644 /nfs/dbraw/zinc/31/36/44/557313644.db2.gz RNXTUIKASDTOID-UHFFFAOYSA-N 0 1 416.466 3.760 50 0 HHAAMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000002871668 557415162 /nfs/dbraw/zinc/41/51/62/557415162.db2.gz OKNROUASRYZMOA-UHFFFAOYSA-N 0 1 410.923 3.606 50 0 HHAAMN Cc1ccc(-n2c3c(c(=O)[nH]c2=S)C(C(F)(F)F)(C(F)(F)F)NC(=O)N3)cc1 ZINC000002883673 557420665 /nfs/dbraw/zinc/42/06/65/557420665.db2.gz UDLYAEBUMZMMRF-UHFFFAOYSA-N 0 1 424.326 3.659 50 0 HHAAMN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000004337778 557543699 /nfs/dbraw/zinc/54/36/99/557543699.db2.gz KEHYODJCAYVNGX-LJQANCHMSA-N 0 1 412.873 3.562 50 0 HHAAMN O=C(CSc1c[nH]nn1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000008813304 557809597 /nfs/dbraw/zinc/80/95/97/557809597.db2.gz GBMJYLKUBMEEAS-UHFFFAOYSA-N 0 1 421.404 3.807 50 0 HHAAMN Cc1ccc([C@H]2N=C(NCCc3c[nH]c4ccccc34)Nc3nc(C)cc(=O)n32)cc1 ZINC000009936911 557851929 /nfs/dbraw/zinc/85/19/29/557851929.db2.gz YMQNPZFCWGMKDX-QFIPXVFZSA-N 0 1 412.497 3.502 50 0 HHAAMN Cc1c(CNCc2cc3cc(C)ccc3n(Cc3ccccc3C)c2=O)cnn1C ZINC000011782942 558275007 /nfs/dbraw/zinc/27/50/07/558275007.db2.gz MJINAAVVAZJORJ-UHFFFAOYSA-N 0 1 400.526 3.998 50 0 HHAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000011818955 558282166 /nfs/dbraw/zinc/28/21/66/558282166.db2.gz KHEHJVGBYDFIJG-UHFFFAOYSA-N 0 1 417.469 3.676 50 0 HHAAMN CN1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2Cl)CC1 ZINC000019796763 558284541 /nfs/dbraw/zinc/28/45/41/558284541.db2.gz YVBQYMYNFVJQBD-OAQYLSRUSA-N 0 1 424.932 3.714 50 0 HHAAMN Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 ZINC000019865462 558298783 /nfs/dbraw/zinc/29/87/83/558298783.db2.gz PZCSKNDBULZYLA-QHCPKHFHSA-N 0 1 408.521 3.593 50 0 HHAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1nnc(CCCCc2ccccc2)o1 ZINC000011935276 558299502 /nfs/dbraw/zinc/29/95/02/558299502.db2.gz UPJPRVDEVAEMFN-UHFFFAOYSA-N 0 1 421.545 3.828 50 0 HHAAMN COC(=O)c1ccc(CN2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000011958607 558303851 /nfs/dbraw/zinc/30/38/51/558303851.db2.gz VXNPRJZJZLBVBD-UHFFFAOYSA-N 0 1 422.525 3.753 50 0 HHAAMN O[C@@H](COc1ccc(OCc2ccccc2)cc1)CN1CCN(c2ccccc2)CC1 ZINC000019898677 558304648 /nfs/dbraw/zinc/30/46/48/558304648.db2.gz LEQITQQPXXNOSW-XMMPIXPASA-N 0 1 418.537 3.828 50 0 HHAAMN COC(=O)c1ccc(-c2noc(CN3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)n2)cc1 ZINC000012316566 558379854 /nfs/dbraw/zinc/37/98/54/558379854.db2.gz HDHMLYCYFOCSCU-GOSISDBHSA-N 0 1 421.432 3.876 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000020717407 558401826 /nfs/dbraw/zinc/40/18/26/558401826.db2.gz BIORCERIJNJLQR-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN Cc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N3)cc1 ZINC000020746091 558411307 /nfs/dbraw/zinc/41/13/07/558411307.db2.gz NUSVBWDTAQAQPJ-OAHLLOKOSA-N 0 1 415.375 3.794 50 0 HHAAMN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCOc1ccc(Cl)cc1 ZINC000020945332 558424808 /nfs/dbraw/zinc/42/48/08/558424808.db2.gz CVLJZVDDMQCKPQ-LJQANCHMSA-N 0 1 419.905 3.899 50 0 HHAAMN CCCN1C(=O)NC(=Cc2c(Cc3cccs3)[nH]n(-c3ccccc3)c2=O)C1=O ZINC000004355440 558442947 /nfs/dbraw/zinc/44/29/47/558442947.db2.gz YCGVLAHSACWIRW-AQTBWJFISA-N 0 1 408.483 3.533 50 0 HHAAMN O=C(c1ccc(OC2CCN(Cc3cccc4c3OCO4)CC2)cc1)N1CCCC1 ZINC000012704217 558448926 /nfs/dbraw/zinc/44/89/26/558448926.db2.gz IPPKQYCXMCLTSG-UHFFFAOYSA-N 0 1 408.498 3.695 50 0 HHAAMN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000012705371 558449527 /nfs/dbraw/zinc/44/95/27/558449527.db2.gz DNSCXIHZBJSGPH-XOJVXBCLSA-N 0 1 415.541 3.949 50 0 HHAAMN COc1ccccc1/C=C/CN1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012716510 558455388 /nfs/dbraw/zinc/45/53/88/558455388.db2.gz YIBMHRUILJZEHV-CDDKBXLESA-N 0 1 414.571 3.540 50 0 HHAAMN O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000022018947 558458344 /nfs/dbraw/zinc/45/83/44/558458344.db2.gz KCOMSSIOGGUAGX-IBGZPJMESA-N 0 1 400.519 3.598 50 0 HHAAMN O=c1c2ccccc2ncn1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022038529 558459584 /nfs/dbraw/zinc/45/95/84/558459584.db2.gz KTHCTAFKTVNBQN-UHFFFAOYSA-N 0 1 410.521 3.761 50 0 HHAAMN COc1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cc(OC)c1OC ZINC000012835303 558477941 /nfs/dbraw/zinc/47/79/41/558477941.db2.gz PXSLAQHKSZQBJO-KDLAUNOPSA-N 0 1 408.498 3.655 50 0 HHAAMN CCOc1cc2c(cc1CN[C@@H](CN1CCOCC1)c1ccc(C)cc1)O[C@@H](C)C2 ZINC000022804529 558513826 /nfs/dbraw/zinc/51/38/26/558513826.db2.gz DORQMBXFLIFGAS-CVDCTZTESA-N 0 1 410.558 3.880 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@H](NC[C@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929719 558523768 /nfs/dbraw/zinc/52/37/68/558523768.db2.gz XQDKRDZMJYPTTD-DNQXCXABSA-N 0 1 409.574 3.930 50 0 HHAAMN COc1ccc(OC)c(CN2CCN(CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000022930946 558524251 /nfs/dbraw/zinc/52/42/51/558524251.db2.gz XJOBBBJDFBXXFU-UHFFFAOYSA-N 0 1 417.937 3.504 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000023143494 558537868 /nfs/dbraw/zinc/53/78/68/558537868.db2.gz VNQHMPXISLXQGF-UHFFFAOYSA-N 0 1 405.542 3.837 50 0 HHAAMN CC(C)CN1CCO[C@@H](CSc2nc3ccccc3c(=O)n2C2CCCC2)C1 ZINC000025106162 558631861 /nfs/dbraw/zinc/63/18/61/558631861.db2.gz GPRKHNMBSFDHFO-GOSISDBHSA-N 0 1 401.576 3.961 50 0 HHAAMN C[C@@H]1Sc2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2NC1=O ZINC000014226678 558638792 /nfs/dbraw/zinc/63/87/92/558638792.db2.gz WWXBMDSNJLUCQZ-BBRMVZONSA-N 0 1 401.557 3.748 50 0 HHAAMN COc1cc(OC)c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1OC ZINC000014230812 558639833 /nfs/dbraw/zinc/63/98/33/558639833.db2.gz JVEQNJYXBZQQGW-QGZVFWFLSA-N 0 1 418.559 3.977 50 0 HHAAMN CCCN1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000025664189 558646894 /nfs/dbraw/zinc/64/68/94/558646894.db2.gz JFUIADFQBBVTSS-OAQYLSRUSA-N 0 1 413.949 3.755 50 0 HHAAMN O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)NCC1(c2ccccc2)CCC1 ZINC000027951634 558685171 /nfs/dbraw/zinc/68/51/71/558685171.db2.gz WCMAGOZZNWCWCO-FQEVSTJZSA-N 0 1 405.542 3.575 50 0 HHAAMN CC[C@H](NC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)c1cccs1 ZINC000014991171 558694618 /nfs/dbraw/zinc/69/46/18/558694618.db2.gz PCPDUBYRWGHREH-AWEZNQCLSA-N 0 1 415.588 3.694 50 0 HHAAMN Cc1ccc(OCc2cc(C(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)no2)cn1 ZINC000015063070 558705683 /nfs/dbraw/zinc/70/56/83/558705683.db2.gz RBEQIOIKIFVGJQ-FQEVSTJZSA-N 0 1 421.432 3.950 50 0 HHAAMN O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccc(CO)o2)CC1 ZINC000015075574 558716049 /nfs/dbraw/zinc/71/60/49/558716049.db2.gz YNKWUNFCWHSPQJ-UHFFFAOYSA-N 0 1 407.470 3.810 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000015434208 558739791 /nfs/dbraw/zinc/73/97/91/558739791.db2.gz LPTOMLRCDNIASV-HZPDHXFCSA-N 0 1 402.516 3.614 50 0 HHAAMN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc21 ZINC000072301078 558751097 /nfs/dbraw/zinc/75/10/97/558751097.db2.gz BQQZMTAIANHOBQ-UHFFFAOYSA-N 0 1 413.421 3.598 50 0 HHAAMN COc1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)ccc1Cl ZINC000004578111 558754569 /nfs/dbraw/zinc/75/45/69/558754569.db2.gz QNNSJDHXSIXDTL-UHFFFAOYSA-N 0 1 424.994 3.624 50 0 HHAAMN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000016123850 558772919 /nfs/dbraw/zinc/77/29/19/558772919.db2.gz MULAGSYVTBFWGO-HNNXBMFYSA-N 0 1 413.312 3.518 50 0 HHAAMN CC(C)(C)OC(=O)N1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000016123850 558772923 /nfs/dbraw/zinc/77/29/23/558772923.db2.gz MULAGSYVTBFWGO-HNNXBMFYSA-N 0 1 413.312 3.518 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000046141129 558839852 /nfs/dbraw/zinc/83/98/52/558839852.db2.gz BCSTVTWCJVHOHA-UHFFFAOYSA-N 0 1 423.494 3.779 50 0 HHAAMN Cc1nn(C)c(C)c1-c1ccnc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000048422243 558845072 /nfs/dbraw/zinc/84/50/72/558845072.db2.gz SXABLAYFHDELDX-UHFFFAOYSA-N 0 1 405.481 3.893 50 0 HHAAMN Cc1[nH]ncc1CCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000060343972 558857584 /nfs/dbraw/zinc/85/75/84/558857584.db2.gz PWVQNXQBEYWPND-UHFFFAOYSA-N 0 1 411.815 3.939 50 0 HHAAMN Cc1ncsc1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000055281711 558878336 /nfs/dbraw/zinc/87/83/36/558878336.db2.gz FDIYKKQAUGVWHB-FQEVSTJZSA-N 0 1 412.603 3.506 50 0 HHAAMN O=S(=O)(Nc1ccccc1-c1cccs1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000058135775 558901011 /nfs/dbraw/zinc/90/10/11/558901011.db2.gz GMECQWINDRXXIA-SFHVURJKSA-N 0 1 405.522 3.685 50 0 HHAAMN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccc2)cc1 ZINC000058377555 558922771 /nfs/dbraw/zinc/92/27/71/558922771.db2.gz UUSVDXSXIYZFTL-UHFFFAOYSA-N 0 1 423.416 3.657 50 0 HHAAMN CC[C@H]1CCCC[N@H+]1CCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S ZINC000004627705 558924848 /nfs/dbraw/zinc/92/48/48/558924848.db2.gz XBZZGZJGFIYQNO-KRWDZBQOSA-N 0 1 416.591 3.550 50 0 HHAAMN Cc1ccc(N2CCC3(CCCN3Cc3nn(C)c4cccc(Cl)c34)CC2)nn1 ZINC000072436634 558980038 /nfs/dbraw/zinc/98/00/38/558980038.db2.gz QLHDWZDTPZPNKE-UHFFFAOYSA-N 0 1 410.953 3.960 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(N2CCCC2)n1 ZINC000067629791 558990327 /nfs/dbraw/zinc/99/03/27/558990327.db2.gz LSLUVNUYGCALGM-UHFFFAOYSA-N 0 1 401.514 3.501 50 0 HHAAMN COc1cccc(C(=O)NC[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1OC ZINC000077405955 559003826 /nfs/dbraw/zinc/00/38/26/559003826.db2.gz CPMPUNQGRBLKME-QGZVFWFLSA-N 0 1 402.922 3.999 50 0 HHAAMN COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1OC ZINC000077405954 559003868 /nfs/dbraw/zinc/00/38/68/559003868.db2.gz CPMPUNQGRBLKME-KRWDZBQOSA-N 0 1 402.922 3.999 50 0 HHAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1ccccc1 ZINC000033270761 559032519 /nfs/dbraw/zinc/03/25/19/559032519.db2.gz QAAMWDLQFWWZBM-UHFFFAOYSA-N 0 1 406.471 3.718 50 0 HHAAMN CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000023224700 559062618 /nfs/dbraw/zinc/06/26/18/559062618.db2.gz IPRUSLAWLIOMOF-HSZRJFAPSA-N 0 1 412.574 3.563 50 0 HHAAMN CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCN(C)CC2)cc1 ZINC000585157966 559063762 /nfs/dbraw/zinc/06/37/62/559063762.db2.gz YADLMVNDEXBQEB-UHFFFAOYSA-N 0 1 401.514 3.900 50 0 HHAAMN Cc1ccc2nc(N(CCN(C)C)C(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000005115002 559247210 /nfs/dbraw/zinc/24/72/10/559247210.db2.gz HMMNUSBKBPBSJG-UHFFFAOYSA-N 0 1 407.495 3.920 50 0 HHAAMN CN(Cc1nccs1)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000011840627 559261459 /nfs/dbraw/zinc/26/14/59/559261459.db2.gz BXUJOENJXXTWIB-JOCHJYFZSA-N 0 1 423.582 3.573 50 0 HHAAMN COc1ccc(-c2n[nH]c(-c3nn4c(nnc4C(F)(F)F)s3)c2C)c(OC)c1 ZINC000061720005 560536333 /nfs/dbraw/zinc/53/63/33/560536333.db2.gz GWCLWXJTLSOPCC-UHFFFAOYSA-N 0 1 410.381 3.587 50 0 HHAAMN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000005253044 560551810 /nfs/dbraw/zinc/55/18/10/560551810.db2.gz CJWLXMRDVCKPIG-NRFANRHFSA-N 0 1 406.482 3.689 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2F)N(CCCO)C3=O)cc1Cl ZINC000005342722 560567972 /nfs/dbraw/zinc/56/79/72/560567972.db2.gz HEWGEISEOGIEKL-HXUWFJFHSA-N 0 1 415.852 3.811 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC2CCCC2)cc1OC ZINC000005652292 560636624 /nfs/dbraw/zinc/63/66/24/560636624.db2.gz CMYSRONDTXUROS-UHFFFAOYSA-N 0 1 405.472 3.604 50 0 HHAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(F)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000102691077 560819934 /nfs/dbraw/zinc/81/99/34/560819934.db2.gz DMTLHMBJHHIBLA-FSSWDIPSSA-N 0 1 418.424 3.885 50 0 HHAAMN O=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1Br ZINC000047032994 560879876 /nfs/dbraw/zinc/87/98/76/560879876.db2.gz VHOBPICWSKGRBL-QGZVFWFLSA-N 0 1 409.349 3.565 50 0 HHAAMN C[C@@H]1CN(C(=O)Nc2ccccc2O[C@H]2CCOC2)[C@@H](C)CN1Cc1ccccc1 ZINC000108150424 560898197 /nfs/dbraw/zinc/89/81/97/560898197.db2.gz GCCSGAHCZZOYRH-DYXWJJEUSA-N 0 1 409.530 3.981 50 0 HHAAMN O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000108377789 568418562 /nfs/dbraw/zinc/41/85/62/568418562.db2.gz HFYFGPHBUAUSQV-MBOZVWFJSA-N 0 1 412.452 3.591 50 0 HHAAMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(-n3ccnc3SC)cc2)n1 ZINC000048344111 568440809 /nfs/dbraw/zinc/44/08/09/568440809.db2.gz YBTRJJOIXUQKHI-UHFFFAOYSA-N 0 1 406.471 3.640 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)n[nH]2)c(C)c1 ZINC000049406655 568449067 /nfs/dbraw/zinc/44/90/67/568449067.db2.gz LXYPJAJJBXYLIE-UHFFFAOYSA-N 0 1 420.488 3.867 50 0 HHAAMN O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095441898 568610850 /nfs/dbraw/zinc/61/08/50/568610850.db2.gz WWIXNSKJJRPMKF-GOSISDBHSA-N 0 1 416.510 3.896 50 0 HHAAMN O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095441898 568610853 /nfs/dbraw/zinc/61/08/53/568610853.db2.gz WWIXNSKJJRPMKF-GOSISDBHSA-N 0 1 416.510 3.896 50 0 HHAAMN CCCCN(CC(N)=O)Cc1c(-c2ccc(Br)s2)nc2ccccn21 ZINC000095454263 568616122 /nfs/dbraw/zinc/61/61/22/568616122.db2.gz RJAPODKMRGIECG-UHFFFAOYSA-N 0 1 421.364 3.913 50 0 HHAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000020678106 568640084 /nfs/dbraw/zinc/64/00/84/568640084.db2.gz OBHVGPIUIMVKFY-UHFFFAOYSA-N 0 1 419.573 3.969 50 0 HHAAMN O=c1cc(CSc2nc(-c3ccccc3F)n[nH]2)nc2sc3c(n21)CCCC3 ZINC000020982803 568654862 /nfs/dbraw/zinc/65/48/62/568654862.db2.gz DOKSSJOQRILDEO-UHFFFAOYSA-N 0 1 413.503 3.851 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1C ZINC000021030162 568659166 /nfs/dbraw/zinc/65/91/66/568659166.db2.gz HLTWLSJVIVSDPE-UHFFFAOYSA-N 0 1 423.966 3.968 50 0 HHAAMN O=C(CC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1)N1CCCC1 ZINC000095941559 568662048 /nfs/dbraw/zinc/66/20/48/568662048.db2.gz MGNPFEJRURWQMA-UHFFFAOYSA-N 0 1 405.340 3.550 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3CC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)n[nH]2)cc1 ZINC000095943386 568662564 /nfs/dbraw/zinc/66/25/64/568662564.db2.gz NFCYBALOLZVVBG-QHCPKHFHSA-N 0 1 410.518 3.858 50 0 HHAAMN CCc1ccccc1NS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000021154122 568673127 /nfs/dbraw/zinc/67/31/27/568673127.db2.gz SWOIEHCOJXAVGO-UHFFFAOYSA-N 0 1 403.548 3.631 50 0 HHAAMN C[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)[C@@H](C)CN1Cc1ccccc1 ZINC000095980595 568675351 /nfs/dbraw/zinc/67/53/51/568675351.db2.gz GCCSGAHCZZOYRH-SVFBPWRDSA-N 0 1 409.530 3.981 50 0 HHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000021174698 568676920 /nfs/dbraw/zinc/67/69/20/568676920.db2.gz YSQPIOIRPGLOBZ-UHFFFAOYSA-N 0 1 402.489 3.915 50 0 HHAAMN CC[N@H+](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)Cc1ccc(Cl)cc1 ZINC000095989799 568677758 /nfs/dbraw/zinc/67/77/58/568677758.db2.gz ZTHITANTXGURPS-UHFFFAOYSA-N 0 1 411.285 3.917 50 0 HHAAMN CC[N@@H+](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)Cc1ccc(Cl)cc1 ZINC000095989799 568677761 /nfs/dbraw/zinc/67/77/61/568677761.db2.gz ZTHITANTXGURPS-UHFFFAOYSA-N 0 1 411.285 3.917 50 0 HHAAMN COCCCN1Cc2ccc(NS(=O)(=O)c3cc(OC)ccc3Cl)cc2C1 ZINC000241124288 568730504 /nfs/dbraw/zinc/73/05/04/568730504.db2.gz JGYWRDXTYDARSB-UHFFFAOYSA-N 0 1 410.923 3.502 50 0 HHAAMN CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1 ZINC000096324738 568734331 /nfs/dbraw/zinc/73/43/31/568734331.db2.gz VIIOJMFBGNIOCL-GOSISDBHSA-N 0 1 403.486 3.525 50 0 HHAAMN CC[NH+]1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577414 568770285 /nfs/dbraw/zinc/77/02/85/568770285.db2.gz JDIJNMKYHWFZTI-OAHLLOKOSA-N 0 1 415.544 3.545 50 0 HHAAMN COc1ccc(NC(=O)Cc2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000002621366 568787785 /nfs/dbraw/zinc/78/77/85/568787785.db2.gz QDOJJLKIUAXIAL-UHFFFAOYSA-N 0 1 420.487 3.878 50 0 HHAAMN COc1ccc(CNC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000002970333 568831755 /nfs/dbraw/zinc/83/17/55/568831755.db2.gz WRQAEWBSKOPJDU-UHFFFAOYSA-N 0 1 411.527 3.944 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012552472 568854365 /nfs/dbraw/zinc/85/43/65/568854365.db2.gz SDCDTVIAIJYRMI-UHFFFAOYSA-N 0 1 424.404 3.650 50 0 HHAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)cc1 ZINC000003458902 568860202 /nfs/dbraw/zinc/86/02/02/568860202.db2.gz NBOYJCDCRUVLNP-UHFFFAOYSA-N 0 1 402.785 3.740 50 0 HHAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCCc1ccccc1 ZINC000003404360 568896893 /nfs/dbraw/zinc/89/68/93/568896893.db2.gz FQSVVKFJMNZJSC-UHFFFAOYSA-N 0 1 417.332 3.685 50 0 HHAAMN O[C@H](COc1ccccc1F)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000025753537 568913686 /nfs/dbraw/zinc/91/36/86/568913686.db2.gz PKEMZCLTVPLYPO-SFHVURJKSA-N 0 1 400.519 3.598 50 0 HHAAMN O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000670459573 568945690 /nfs/dbraw/zinc/94/56/90/568945690.db2.gz IARNGTDWUVLZKT-AWEZNQCLSA-N 0 1 400.841 3.530 50 0 HHAAMN O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000670459574 568945700 /nfs/dbraw/zinc/94/57/00/568945700.db2.gz IARNGTDWUVLZKT-CQSZACIVSA-N 0 1 400.841 3.530 50 0 HHAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000008131775 568975529 /nfs/dbraw/zinc/97/55/29/568975529.db2.gz HPJNYPBLTRQWHA-UHFFFAOYSA-N 0 1 413.499 3.740 50 0 HHAAMN COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccccc2)cc1 ZINC000035372475 569033897 /nfs/dbraw/zinc/03/38/97/569033897.db2.gz MQMFRTDJSLCRLM-UHFFFAOYSA-N 0 1 422.554 3.690 50 0 HHAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000006315539 569040213 /nfs/dbraw/zinc/04/02/13/569040213.db2.gz MDCBQWOROYIDQO-UHFFFAOYSA-N 0 1 403.685 3.862 50 0 HHAAMN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000006316073 569040268 /nfs/dbraw/zinc/04/02/68/569040268.db2.gz DIWSCUWBFVAMFF-UHFFFAOYSA-N 0 1 403.685 3.862 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1OC ZINC000035539361 569043703 /nfs/dbraw/zinc/04/37/03/569043703.db2.gz XXBJAVQNTMMSAM-UHFFFAOYSA-N 0 1 421.500 3.802 50 0 HHAAMN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)N1CCCCC1 ZINC000006357378 569045267 /nfs/dbraw/zinc/04/52/67/569045267.db2.gz QIDPWIKJFMARTD-QDSKXPNFSA-N 0 1 400.563 3.766 50 0 biogenic HHAAMN O=C(Cc1ccc(F)cc1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000035598033 569045801 /nfs/dbraw/zinc/04/58/01/569045801.db2.gz HXSAMBWFKUNGCD-UHFFFAOYSA-N 0 1 404.489 3.724 50 0 HHAAMN C[C@@H]1CN(CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C[C@H](C)O1 ZINC000012999039 569048946 /nfs/dbraw/zinc/04/89/46/569048946.db2.gz KUBHDMBHEZRVIV-HDICACEKSA-N 0 1 410.518 3.560 50 0 HHAAMN C[C@@H]1CN(CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C[C@@H](C)O1 ZINC000012999035 569048964 /nfs/dbraw/zinc/04/89/64/569048964.db2.gz KUBHDMBHEZRVIV-QZTJIDSGSA-N 0 1 410.518 3.560 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000239302929 569054100 /nfs/dbraw/zinc/05/41/00/569054100.db2.gz FUQKGAWRINVOJB-RJEFXAGKSA-N 0 1 418.559 3.865 50 0 HHAAMN COc1cc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)ccc1O ZINC000064450203 569062795 /nfs/dbraw/zinc/06/27/95/569062795.db2.gz JQNJNTJKRRFZMZ-KRWDZBQOSA-N 0 1 405.454 3.820 50 0 HHAAMN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)s1 ZINC000036101344 569091473 /nfs/dbraw/zinc/09/14/73/569091473.db2.gz DCKLCSBRHSJBCP-GOSISDBHSA-N 0 1 415.511 3.958 50 0 HHAAMN CC(C)(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145865 569098351 /nfs/dbraw/zinc/09/83/51/569098351.db2.gz DQFGLAYYLOBEOW-VXKWHMMOSA-N 0 1 414.521 3.997 50 0 HHAAMN COCCN1C(=O)c2n[nH]c(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OC)c1 ZINC000006743254 569108003 /nfs/dbraw/zinc/10/80/03/569108003.db2.gz XTFKIYAMXFZURH-QFIPXVFZSA-N 0 1 407.470 3.599 50 0 HHAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)c1 ZINC000006752853 569111499 /nfs/dbraw/zinc/11/14/99/569111499.db2.gz LKYUAJAZDVOQDB-JOCHJYFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCCC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340828 569141457 /nfs/dbraw/zinc/14/14/57/569141457.db2.gz HNTLGIMHGZCWHA-FQEVSTJZSA-N 0 1 414.569 3.750 50 0 HHAAMN CCCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340313 569141648 /nfs/dbraw/zinc/14/16/48/569141648.db2.gz HWPKHCFCYBSSHB-HSZRJFAPSA-N 0 1 410.606 3.974 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036343482 569142845 /nfs/dbraw/zinc/14/28/45/569142845.db2.gz PNPZKLFMLFLRTR-DEOSSOPVSA-N 0 1 404.558 3.619 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc(C)cc2C)CC1 ZINC000036345726 569143357 /nfs/dbraw/zinc/14/33/57/569143357.db2.gz LDVVTHQCPDEEKU-XMMPIXPASA-N 0 1 422.548 3.758 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866715 569158962 /nfs/dbraw/zinc/15/89/62/569158962.db2.gz KVGTUKGXIBRMRY-LBPRGKRZSA-N 0 1 420.918 3.837 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc1OC ZINC000065060177 569163975 /nfs/dbraw/zinc/16/39/75/569163975.db2.gz WMBYOZRYVKHNKM-UHFFFAOYSA-N 0 1 420.512 3.945 50 0 HHAAMN Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)Nc2cccc(C)c2C)c(C)n1C ZINC000065194170 569192614 /nfs/dbraw/zinc/19/26/14/569192614.db2.gz CFZUUDQGUOONGX-UHFFFAOYSA-N 0 1 400.504 3.987 50 0 HHAAMN CCCOc1ccc(Br)cc1[C@@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000007126234 569223519 /nfs/dbraw/zinc/22/35/19/569223519.db2.gz NYSLPPAOCXOEQG-MRXNPFEDSA-N 0 1 400.280 3.684 50 0 HHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)cc1 ZINC000007294390 569232583 /nfs/dbraw/zinc/23/25/83/569232583.db2.gz KTLHMXXCYJBFGH-AWEZNQCLSA-N 0 1 421.526 3.890 50 0 HHAAMN CCOc1cc(CN2CCC(NC(=O)c3coc(-c4ccccc4)n3)CC2)ccc1O ZINC000170605916 569244251 /nfs/dbraw/zinc/24/42/51/569244251.db2.gz VKRYJOPWIHUFQR-UHFFFAOYSA-N 0 1 421.497 3.840 50 0 HHAAMN COC(=O)c1cccc(SC)c1NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000170609170 569244938 /nfs/dbraw/zinc/24/49/38/569244938.db2.gz LCWPBXVVLVDIQR-UHFFFAOYSA-N 0 1 421.327 3.885 50 0 HHAAMN O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccc(O)c(Cl)c1 ZINC000089821363 569266509 /nfs/dbraw/zinc/26/65/09/569266509.db2.gz FXQCODRARYDXNS-MHWRWJLKSA-N 0 1 402.859 3.512 50 0 HHAAMN COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CN2CCC(C)CC2)cc1=O ZINC000016994129 569270747 /nfs/dbraw/zinc/27/07/47/569270747.db2.gz ARGMABUGHIKYQQ-UHFFFAOYSA-N 0 1 411.546 3.653 50 0 HHAAMN CN(C)CCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3 ZINC000002200567 569295483 /nfs/dbraw/zinc/29/54/83/569295483.db2.gz SFEJLZAOEZUDOA-UHFFFAOYSA-N 0 1 410.587 3.943 50 0 HHAAMN Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)no1 ZINC000007628589 569297644 /nfs/dbraw/zinc/29/76/44/569297644.db2.gz BTLWAFKALKXYLO-SECBINFHSA-N 0 1 408.281 3.650 50 0 HHAAMN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)cc1OC ZINC000027531016 569366423 /nfs/dbraw/zinc/36/64/23/569366423.db2.gz UOTURBYRXPEPKD-UHFFFAOYSA-N 0 1 407.451 3.526 50 0 HHAAMN CCOC(=O)N[C@](Nc1cc(Cl)ccc1Cl)(C(=O)OCC)C(F)(F)F ZINC000002307115 569372564 /nfs/dbraw/zinc/37/25/64/569372564.db2.gz DBRJXONNAKLFDG-CYBMUJFWSA-N 0 1 403.184 3.973 50 0 HHAAMN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000002400820 569395460 /nfs/dbraw/zinc/39/54/60/569395460.db2.gz TZLDURNTYGKLSN-NRFANRHFSA-N 0 1 406.482 3.689 50 0 HHAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000067284219 571063214 /nfs/dbraw/zinc/06/32/14/571063214.db2.gz WPJLWESDZNRXQY-UHFFFAOYSA-N 0 1 410.909 3.727 50 0 HHAAMN CCCCN1c2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2CCC1=O ZINC000008840746 571123756 /nfs/dbraw/zinc/12/37/56/571123756.db2.gz SARGBZFERLSFGP-UHFFFAOYSA-N 0 1 402.516 3.884 50 0 HHAAMN Cc1cccc(-c2ncc(CN3CCN(Cc4ccccc4C)[C@H](CCO)C3)cn2)c1 ZINC000039485093 571132493 /nfs/dbraw/zinc/13/24/93/571132493.db2.gz PHGLOOLLTQJPKE-RUZDIDTESA-N 0 1 416.569 3.829 50 0 HHAAMN Fc1ccc(NC(=S)NCCCN2CCN(c3ccccc3)CC2)cc1Cl ZINC000040087589 571158084 /nfs/dbraw/zinc/15/80/84/571158084.db2.gz NGAIGIQMNNVIQI-UHFFFAOYSA-N 0 1 406.958 3.978 50 0 HHAAMN C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000040113085 571171332 /nfs/dbraw/zinc/17/13/32/571171332.db2.gz FCCVAIINQFMEGY-ZDUSSCGKSA-N 0 1 401.919 3.850 50 0 HHAAMN CCN1c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009170657 571233562 /nfs/dbraw/zinc/23/35/62/571233562.db2.gz IPSVQADBQRMOSR-UHFFFAOYSA-N 0 1 410.442 3.537 50 0 HHAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000009173735 571234310 /nfs/dbraw/zinc/23/43/10/571234310.db2.gz XEUWEEUPFNXOOP-UHFFFAOYSA-N 0 1 410.879 3.507 50 0 HHAAMN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000009200683 571236318 /nfs/dbraw/zinc/23/63/18/571236318.db2.gz CEXLABWEJURCJM-UHFFFAOYSA-N 0 1 424.526 3.894 50 0 HHAAMN Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCc4cnc[nH]4)c(=O)oc12)CCCC3 ZINC000009421702 571257252 /nfs/dbraw/zinc/25/72/52/571257252.db2.gz KJXZBYRUXKTPAR-UHFFFAOYSA-N 0 1 419.481 3.659 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000009667928 571278283 /nfs/dbraw/zinc/27/82/83/571278283.db2.gz LMTGAFIWSSITTR-UHFFFAOYSA-N 0 1 408.907 3.694 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)N2CCCCC2)cc1 ZINC000009762385 571284670 /nfs/dbraw/zinc/28/46/70/571284670.db2.gz LBZWWZYYQRORHV-XMMPIXPASA-N 0 1 418.541 3.897 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCCCCC2)cc1 ZINC000009903142 571289917 /nfs/dbraw/zinc/28/99/17/571289917.db2.gz DZGUXBVOYDZMSS-UHFFFAOYSA-N 0 1 402.516 3.902 50 0 HHAAMN CNc1cc(C)nc(N2CCc3[nH]nc(-c4ccc(C(F)(F)F)nc4C)c3C2)n1 ZINC000023541379 963849540 /nfs/dbraw/zinc/84/95/40/963849540.db2.gz UMRCTVIDVIZMPK-UHFFFAOYSA-N 0 1 403.412 3.502 50 0 HHAAMN COc1ccc(CN2CCC[C@@H](COc3ccccc3C(=O)NC3CC3)C2)c(OC)c1 ZINC000169775433 970478112 /nfs/dbraw/zinc/47/81/12/970478112.db2.gz LNNCLLMEPFWAEH-GOSISDBHSA-N 0 1 424.541 3.887 50 0 HHAAMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000004711741 132285382 /nfs/dbraw/zinc/28/53/82/132285382.db2.gz WDVMEJAPRARUTG-UHFFFAOYSA-N 0 1 415.921 3.911 50 0 HHAAMN CSc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3F)CC2)cc1 ZINC000005050077 132299454 /nfs/dbraw/zinc/29/94/54/132299454.db2.gz ACLPGRMEXAUBOL-UHFFFAOYSA-N 0 1 402.539 3.881 50 0 HHAAMN Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007251293 132323151 /nfs/dbraw/zinc/32/31/51/132323151.db2.gz UYZHSLJMORGCAP-HXUWFJFHSA-N 0 1 420.479 3.530 50 0 HHAAMN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000032870715 521115004 /nfs/dbraw/zinc/11/50/04/521115004.db2.gz LQIWFSIXVHEJKL-LJQANCHMSA-N 0 1 408.498 3.521 50 0 HHAAMN COC(=O)c1ccc(-c2noc(CN(C)Cc3nc4ccc(Cl)cc4[nH]3)n2)cc1 ZINC000020538037 521930075 /nfs/dbraw/zinc/93/00/75/521930075.db2.gz QNTZMBYGNLRIFQ-UHFFFAOYSA-N 0 1 411.849 3.685 50 0 HHAAMN CCc1c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[nH]c(C)c1C(C)=O ZINC000052690835 523696457 /nfs/dbraw/zinc/69/64/57/523696457.db2.gz ICRLCTHUHFHTNU-IYBDPMFKSA-N 0 1 411.546 3.627 50 0 HHAAMN COc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(F)c1 ZINC000020535047 524027456 /nfs/dbraw/zinc/02/74/56/524027456.db2.gz XYSGTLPXNKOAIN-HXUWFJFHSA-N 0 1 413.537 3.630 50 0 HHAAMN C[C@@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)n1c(=O)oc2ccccc21 ZINC000032888462 524169051 /nfs/dbraw/zinc/16/90/51/524169051.db2.gz YWEAGEKUBZQGBL-HNNXBMFYSA-N 0 1 413.905 3.590 50 0 HHAAMN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCN(C)CC4)nc3)ccc2c1 ZINC000032873918 525636386 /nfs/dbraw/zinc/63/63/86/525636386.db2.gz XXEBUUYOEFFTLT-QGZVFWFLSA-N 0 1 404.514 3.737 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000000683174 557057164 /nfs/dbraw/zinc/05/71/64/557057164.db2.gz AAHFRPAGILFEFO-UHFFFAOYSA-N 0 1 424.526 3.856 50 0 HHAAMN COc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(OC)cc1Cl ZINC000000725841 557073052 /nfs/dbraw/zinc/07/30/52/557073052.db2.gz WBKSJEMNFRXWFA-UHFFFAOYSA-N 0 1 406.685 3.921 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000001049357 557158720 /nfs/dbraw/zinc/15/87/20/557158720.db2.gz HCVQNIPRXSMPKP-UHFFFAOYSA-N 0 1 410.451 3.526 50 0 HHAAMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1ccccc1 ZINC000001088664 557177251 /nfs/dbraw/zinc/17/72/51/557177251.db2.gz QWJSSJJUBFTSEB-LJQANCHMSA-N 0 1 410.499 3.718 50 0 HHAAMN COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000001111086 557183797 /nfs/dbraw/zinc/18/37/97/557183797.db2.gz FTOXJSMDKHMORW-UHFFFAOYSA-N 0 1 410.451 3.526 50 0 aggregator HHAAMN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2cccc3ccccc32)NC(=O)N1 ZINC000001190479 557236252 /nfs/dbraw/zinc/23/62/52/557236252.db2.gz HEQLEUFDWUEEBK-QFIPXVFZSA-N 0 1 416.433 3.940 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002853602 557405923 /nfs/dbraw/zinc/40/59/23/557405923.db2.gz WCAFMGZKRJYAQQ-SFHVURJKSA-N 0 1 400.837 3.692 50 0 HHAAMN CCCOc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc(OC)cc2)cc1 ZINC000004113513 557514969 /nfs/dbraw/zinc/51/49/69/557514969.db2.gz OUBCGYLJZNONMI-OAQYLSRUSA-N 0 1 410.470 3.855 50 0 HHAAMN O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004179241 557525407 /nfs/dbraw/zinc/52/54/07/557525407.db2.gz XPQRTZDIRPPNBW-YADHBBJMSA-N 0 1 406.526 3.811 50 0 HHAAMN O=C1C[C@@H]([C@@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000005015825 557626028 /nfs/dbraw/zinc/62/60/28/557626028.db2.gz KOJFHACVEAYTSQ-IRXDYDNUSA-N 0 1 408.420 3.601 50 0 HHAAMN O=S(=O)(Nc1ccc(I)cc1)c1cccc2cccnc21 ZINC000005925667 557681076 /nfs/dbraw/zinc/68/10/76/557681076.db2.gz GEZZNPJNSMWQLV-UHFFFAOYSA-N 0 1 410.236 3.640 50 0 HHAAMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccccc1 ZINC000009892655 557850967 /nfs/dbraw/zinc/85/09/67/557850967.db2.gz ZYQQSMCTUOBWRT-OQLLNIDSSA-N 0 1 417.259 3.607 50 0 HHAAMN Cc1ccc([C@@H]2N=C(NCCc3c[nH]c4ccccc34)Nc3nc(C)cc(=O)n32)cc1 ZINC000009936905 557851935 /nfs/dbraw/zinc/85/19/35/557851935.db2.gz YMQNPZFCWGMKDX-JOCHJYFZSA-N 0 1 412.497 3.502 50 0 HHAAMN CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2cccc(OC)c2OC)oc1C ZINC000011817605 558280896 /nfs/dbraw/zinc/28/08/96/558280896.db2.gz VMAFMSMIALRPPG-MRXNPFEDSA-N 0 1 402.491 3.975 50 0 HHAAMN O=S(=O)(NC[C@H]1CCCN(C/C=C/c2ccccc2)C1)c1cccc2cccnc21 ZINC000011879234 558294008 /nfs/dbraw/zinc/29/40/08/558294008.db2.gz NBHNZGBDSRQDCF-VMLCMGRWSA-N 0 1 421.566 3.939 50 0 HHAAMN Clc1ccc(-c2n[nH]cc2CN2CCc3nnc(Cc4ccccc4)n3CC2)cc1 ZINC000019853501 558296153 /nfs/dbraw/zinc/29/61/53/558296153.db2.gz WYKVNGCUZSPEBW-UHFFFAOYSA-N 0 1 418.932 3.971 50 0 HHAAMN O=c1[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1CCCC2 ZINC000019991294 558317307 /nfs/dbraw/zinc/31/73/07/558317307.db2.gz NERSOZOTLPDIOW-UHFFFAOYSA-N 0 1 400.526 3.560 50 0 HHAAMN CCCCCCOc1ccc(/C=C2/SC(=O)N(CN3CCN(C)CC3)C2=O)cc1 ZINC000020265962 558352733 /nfs/dbraw/zinc/35/27/33/558352733.db2.gz QOKOGYCGSMGSPI-CAPFRKAQSA-N 0 1 417.575 3.887 50 0 HHAAMN Cc1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)n1 ZINC000012320026 558381908 /nfs/dbraw/zinc/38/19/08/558381908.db2.gz SZLPEWJFJSABAC-UHFFFAOYSA-N 0 1 419.529 3.831 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1Cl ZINC000020722546 558403465 /nfs/dbraw/zinc/40/34/65/558403465.db2.gz FWFVBMSNAGONNK-CQSZACIVSA-N 0 1 402.241 3.774 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cc(F)ccc2F)cc1 ZINC000020730367 558406447 /nfs/dbraw/zinc/40/64/47/558406447.db2.gz FZZYZWLRHFKXOK-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2F)c1 ZINC000020734079 558407243 /nfs/dbraw/zinc/40/72/43/558407243.db2.gz CVSYRGQWLROQEY-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN CCOc1ccc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO ZINC000012439614 558411030 /nfs/dbraw/zinc/41/10/30/558411030.db2.gz SFOWJLJQRVAIDN-GOSISDBHSA-N 0 1 401.478 3.820 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000020821166 558416801 /nfs/dbraw/zinc/41/68/01/558416801.db2.gz MLLKSGHPZNWZPF-IBGZPJMESA-N 0 1 413.537 3.923 50 0 HHAAMN COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 ZINC000012457896 558418042 /nfs/dbraw/zinc/41/80/42/558418042.db2.gz QKWDQONQIIRBHX-UHFFFAOYSA-N 0 1 400.498 3.997 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 ZINC000012464511 558420186 /nfs/dbraw/zinc/42/01/86/558420186.db2.gz NOPYWVSREOIVNE-JOCHJYFZSA-N 0 1 417.550 3.656 50 0 HHAAMN COc1cc(C)ccc1OCc1cc(C(=O)N2CCN(C3CCCCC3)CC2)no1 ZINC000012576815 558431084 /nfs/dbraw/zinc/43/10/84/558431084.db2.gz VYLWYOFTSUTHAG-UHFFFAOYSA-N 0 1 413.518 3.661 50 0 HHAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3ccccc3F)CC2)c(Cl)c1 ZINC000012584803 558433927 /nfs/dbraw/zinc/43/39/27/558433927.db2.gz YYRDIEBOSSGNFO-UHFFFAOYSA-N 0 1 420.912 3.899 50 0 HHAAMN CCCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C ZINC000012596346 558438004 /nfs/dbraw/zinc/43/80/04/558438004.db2.gz QMORCQAOTCEDPH-UHFFFAOYSA-N 0 1 410.562 3.881 50 0 HHAAMN CCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000004354662 558440041 /nfs/dbraw/zinc/44/00/41/558440041.db2.gz WKUAULZMYIKCKD-MOSHPQCFSA-N 0 1 402.454 3.542 50 0 HHAAMN CN(C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccc(Cl)cc2s1 ZINC000004359196 558449455 /nfs/dbraw/zinc/44/94/55/558449455.db2.gz SPFODEXMJDIVPK-QGZVFWFLSA-N 0 1 417.918 3.684 50 0 HHAAMN CN(C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(cccc2Cl)s1 ZINC000004359329 558451099 /nfs/dbraw/zinc/45/10/99/558451099.db2.gz SDQTXEFETJACSW-MRXNPFEDSA-N 0 1 417.918 3.684 50 0 HHAAMN C[C@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)NC(=O)c1ccccc1 ZINC000022619699 558503053 /nfs/dbraw/zinc/50/30/53/558503053.db2.gz MARZVFGFFSPATJ-UTKZUKDTSA-N 0 1 413.949 3.802 50 0 HHAAMN Cc1cc(C)n2c(nc(=S)n2CN2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000022775034 558509441 /nfs/dbraw/zinc/50/94/41/558509441.db2.gz LCVKJLJNPHJNKY-UHFFFAOYSA-N 0 1 410.591 3.776 50 0 HHAAMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000022912714 558520075 /nfs/dbraw/zinc/52/00/75/558520075.db2.gz BCXBTHIQRSOAPV-KRWDZBQOSA-N 0 1 416.363 3.636 50 0 HHAAMN Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000013628435 558551774 /nfs/dbraw/zinc/55/17/74/558551774.db2.gz LEDOJJWZIQGWFZ-UHFFFAOYSA-N 0 1 424.936 3.739 50 0 HHAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 ZINC000013768263 558591218 /nfs/dbraw/zinc/59/12/18/558591218.db2.gz ZVKBSENSURYYII-QPTUXGOLSA-N 0 1 400.563 3.812 50 0 HHAAMN O=C(Cn1c2ccccc2nc1C(F)(F)F)NC[C@H](c1ccco1)N1CCCC1 ZINC000014067499 558616771 /nfs/dbraw/zinc/61/67/71/558616771.db2.gz DFLZVRPVGIDGHK-MRXNPFEDSA-N 0 1 406.408 3.601 50 0 HHAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000014138855 558624578 /nfs/dbraw/zinc/62/45/78/558624578.db2.gz PDCPZSHPWZBTBO-HSZRJFAPSA-N 0 1 402.542 3.861 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2CCCCC2)c1 ZINC000024991080 558625848 /nfs/dbraw/zinc/62/58/48/558625848.db2.gz UJUALHLBYDLUSM-UHFFFAOYSA-N 0 1 404.488 3.720 50 0 HHAAMN Cc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000025332464 558638686 /nfs/dbraw/zinc/63/86/86/558638686.db2.gz PVVJPSVXBPBHNQ-INIZCTEOSA-N 0 1 423.464 3.689 50 0 HHAAMN C[C@H]1Sc2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2NC1=O ZINC000014226681 558638841 /nfs/dbraw/zinc/63/88/41/558638841.db2.gz WWXBMDSNJLUCQZ-CJNGLKHVSA-N 0 1 401.557 3.748 50 0 HHAAMN Cc1cnccc1CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012448582 558642382 /nfs/dbraw/zinc/64/23/82/558642382.db2.gz YLHBMFSCWWXNBT-UHFFFAOYSA-N 0 1 416.525 3.758 50 0 HHAAMN COc1cc(CNC(=O)CSc2nc(C3CC3)n[nH]2)ccc1OCc1ccccc1 ZINC000014252214 558650340 /nfs/dbraw/zinc/65/03/40/558650340.db2.gz FRCPEVCZMSKCLJ-UHFFFAOYSA-N 0 1 424.526 3.678 50 0 HHAAMN COc1cc(CNC(=O)CSc2n[nH]c(C3CC3)n2)ccc1OCc1ccccc1 ZINC000014252214 558650344 /nfs/dbraw/zinc/65/03/44/558650344.db2.gz FRCPEVCZMSKCLJ-UHFFFAOYSA-N 0 1 424.526 3.678 50 0 HHAAMN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)o2)cc1 ZINC000014810324 558673718 /nfs/dbraw/zinc/67/37/18/558673718.db2.gz CNQKPSCCJLDNBP-UHFFFAOYSA-N 0 1 404.470 3.548 50 0 HHAAMN Cc1ccc(-c2nonc2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000027663050 558678587 /nfs/dbraw/zinc/67/85/87/558678587.db2.gz VFIGXMOMECAQCX-UHFFFAOYSA-N 0 1 404.382 3.724 50 0 HHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1ccncc1 ZINC000014981396 558691922 /nfs/dbraw/zinc/69/19/22/558691922.db2.gz XIMXRQADDGDBMR-UHFFFAOYSA-N 0 1 413.537 3.541 50 0 HHAAMN Cc1ncc(CN2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)s1 ZINC000015063333 558705868 /nfs/dbraw/zinc/70/58/68/558705868.db2.gz WFKJRRAMUBOXTE-UHFFFAOYSA-N 0 1 422.554 3.820 50 0 HHAAMN Cc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cs2)o1 ZINC000028877378 558706393 /nfs/dbraw/zinc/70/63/93/558706393.db2.gz YSFVUVGZLCKJOK-UHFFFAOYSA-N 0 1 410.543 3.953 50 0 HHAAMN COc1cc(C[C@@H]2CC(CNCc3cccc(Cl)c3)=NO2)c(OC)c2c1OCO2 ZINC000015081367 558718963 /nfs/dbraw/zinc/71/89/63/558718963.db2.gz VMMKYXAPKKMPHY-QGZVFWFLSA-N 0 1 418.877 3.563 50 0 HHAAMN Cc1cccc(COc2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c2)c1 ZINC000030031261 558726754 /nfs/dbraw/zinc/72/67/54/558726754.db2.gz GCKABPUEMIAOLV-UHFFFAOYSA-N 0 1 416.525 3.973 50 0 HHAAMN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000030630772 558734746 /nfs/dbraw/zinc/73/47/46/558734746.db2.gz SLPZFQQFNGFSQQ-HSZRJFAPSA-N 0 1 417.509 3.647 50 0 HHAAMN CCOc1ccc([C@H]2CCCN2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015372310 558736328 /nfs/dbraw/zinc/73/63/28/558736328.db2.gz OAQWZJCOBXPJGK-JOCHJYFZSA-N 0 1 424.541 3.824 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000015434210 558739771 /nfs/dbraw/zinc/73/97/71/558739771.db2.gz LPTOMLRCDNIASV-IYBDPMFKSA-N 0 1 402.516 3.614 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000015434209 558739803 /nfs/dbraw/zinc/73/98/03/558739803.db2.gz LPTOMLRCDNIASV-HOTGVXAUSA-N 0 1 402.516 3.614 50 0 HHAAMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1Cl ZINC000016096285 558771571 /nfs/dbraw/zinc/77/15/71/558771571.db2.gz ZBUZMSVAFAXCTO-UHFFFAOYSA-N 0 1 408.328 3.815 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000017012194 558811636 /nfs/dbraw/zinc/81/16/36/558811636.db2.gz KUWALPZXYIRPKP-UHFFFAOYSA-N 0 1 417.916 3.530 50 0 HHAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(NC(C)=O)sc2c1 ZINC000033007598 558828532 /nfs/dbraw/zinc/82/85/32/558828532.db2.gz QTWDRBNKFKBFPS-UHFFFAOYSA-N 0 1 411.892 3.718 50 0 HHAAMN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCc4nc[nH]c4C3)c(=O)oc1c2C ZINC000013552492 558843378 /nfs/dbraw/zinc/84/33/78/558843378.db2.gz ISZTYBLQSWBPDQ-UHFFFAOYSA-N 0 1 405.454 3.705 50 0 biogenic HHAAMN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)o1 ZINC000033071316 558866588 /nfs/dbraw/zinc/86/65/88/558866588.db2.gz ZRRYKJFFCVENOH-CYBMUJFWSA-N 0 1 417.307 3.760 50 0 HHAAMN Cc1ccc(CNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)o1 ZINC000033071249 558866607 /nfs/dbraw/zinc/86/66/07/558866607.db2.gz FSQKDPCXAMLIOH-UHFFFAOYSA-N 0 1 417.307 3.760 50 0 HHAAMN CCOc1cc(CNC(=O)[C@@H]2CCCN(c3nc4ccc(C)cc4[nH]3)C2)ccc1OC ZINC000033072158 558866825 /nfs/dbraw/zinc/86/68/25/558866825.db2.gz VKEVNQVAPYCJPM-GOSISDBHSA-N 0 1 422.529 3.811 50 0 HHAAMN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000055037205 558870362 /nfs/dbraw/zinc/87/03/62/558870362.db2.gz VWJJGOLTXOHWRE-FQEVSTJZSA-N 0 1 412.509 3.653 50 0 HHAAMN CSCCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055037120 558870442 /nfs/dbraw/zinc/87/04/42/558870442.db2.gz AKFQZPKAIISOFW-GOSISDBHSA-N 0 1 415.525 3.572 50 0 HHAAMN COc1cc(OC)c(NS(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc1Cl ZINC000033086331 558870995 /nfs/dbraw/zinc/87/09/95/558870995.db2.gz AJEKVCDMTFJBPC-UHFFFAOYSA-N 0 1 409.851 3.516 50 0 HHAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1cc(OC)c(OC)c(OC)c1 ZINC000004679234 558890231 /nfs/dbraw/zinc/89/02/31/558890231.db2.gz VDOKAEMZRCERFG-UHFFFAOYSA-N 0 1 415.465 3.974 50 0 HHAAMN COc1cccc([C@@H](CNC(=O)N2CCc3cc(Br)ccc32)N(C)C)c1 ZINC000058163197 558906498 /nfs/dbraw/zinc/90/64/98/558906498.db2.gz WWQIOPIUYFPNJP-LJQANCHMSA-N 0 1 418.335 3.833 50 0 HHAAMN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000033250206 558919028 /nfs/dbraw/zinc/91/90/28/558919028.db2.gz NOHBDFFJBWKOCJ-UHFFFAOYSA-N 0 1 411.550 3.612 50 0 HHAAMN Cc1nnc(SCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000058315117 558919232 /nfs/dbraw/zinc/91/92/32/558919232.db2.gz QIASUJJQLFSFKB-GOSISDBHSA-N 0 1 402.545 3.624 50 0 HHAAMN COc1ccc(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1Cl ZINC000072117414 558927302 /nfs/dbraw/zinc/92/73/02/558927302.db2.gz KHDYQOKTTHTVQE-UHFFFAOYSA-N 0 1 418.929 3.671 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc(N2CCCCC2)n1 ZINC000065362248 558972987 /nfs/dbraw/zinc/97/29/87/558972987.db2.gz NVKAHELXZVYQEW-UHFFFAOYSA-N 0 1 412.513 3.577 50 0 HHAAMN Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1Cl ZINC000065363577 558974521 /nfs/dbraw/zinc/97/45/21/558974521.db2.gz KYZSUOGVLBICFN-UHFFFAOYSA-N 0 1 423.908 3.931 50 0 HHAAMN Cc1ccccc1-c1noc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)n1 ZINC000067613105 558989180 /nfs/dbraw/zinc/98/91/80/558989180.db2.gz RDCJOZLRTKQCGR-UHFFFAOYSA-N 0 1 408.477 3.713 50 0 HHAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1ccccc1F ZINC000033270777 559032535 /nfs/dbraw/zinc/03/25/35/559032535.db2.gz NWKUWJMJPVKFFO-UHFFFAOYSA-N 0 1 424.461 3.857 50 0 HHAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000011332814 559056250 /nfs/dbraw/zinc/05/62/50/559056250.db2.gz QVGUPMSORSCGKT-UHFFFAOYSA-N 0 1 403.500 3.876 50 0 HHAAMN O=C(CC[C@@H]1CCCN(Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 ZINC000095501132 559082233 /nfs/dbraw/zinc/08/22/33/559082233.db2.gz GOZTYOLDBPZTKM-INIZCTEOSA-N 0 1 402.489 3.805 50 0 HHAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl ZINC000014097680 559150814 /nfs/dbraw/zinc/15/08/14/559150814.db2.gz YREUOPOXKZYNJC-UHFFFAOYSA-N 0 1 403.685 3.862 50 0 HHAAMN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)cn2n1 ZINC000011693568 559187812 /nfs/dbraw/zinc/18/78/12/559187812.db2.gz QIEWDMRTDFQCAA-UHFFFAOYSA-N 0 1 424.482 3.523 50 0 HHAAMN CCOCCCNC(=O)C1CCN(Cc2nc(-c3ccc(CC)cc3)oc2C)CC1 ZINC000005043633 559236383 /nfs/dbraw/zinc/23/63/83/559236383.db2.gz XYLLZNOKDGPZBB-UHFFFAOYSA-N 0 1 413.562 3.967 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)N(CCCO)C3=O)cc1Cl ZINC000005342542 560567982 /nfs/dbraw/zinc/56/79/82/560567982.db2.gz KGFJEVHCQASJMH-FQEVSTJZSA-N 0 1 415.852 3.811 50 0 HHAAMN COc1ccc(NC(=O)c2ccc(C)o2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000005601846 560629119 /nfs/dbraw/zinc/62/91/19/560629119.db2.gz BJTYCIHABFCZKO-UHFFFAOYSA-N 0 1 404.419 3.789 50 0 HHAAMN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000005601860 560629174 /nfs/dbraw/zinc/62/91/74/560629174.db2.gz SYWFFYXOTUZZFG-UHFFFAOYSA-N 0 1 412.467 3.757 50 0 HHAAMN CCN1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(F)cc3)n2)CC1 ZINC000017288693 560706062 /nfs/dbraw/zinc/70/60/62/560706062.db2.gz VXSMCRYIDVBUOQ-UHFFFAOYSA-N 0 1 417.492 3.840 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)c1 ZINC000001194033 560727674 /nfs/dbraw/zinc/72/76/74/560727674.db2.gz NLXLJWLFTNXLLP-YFROIQMUSA-N 0 1 404.532 3.619 50 0 HHAAMN COc1ccc(-c2cc(C(=O)NCCN3CC=CC3)c3ccccc3n2)cc1OC ZINC000101282472 560790542 /nfs/dbraw/zinc/79/05/42/560790542.db2.gz OKDMSRFBWLXQFR-UHFFFAOYSA-N 0 1 403.482 3.521 50 0 HHAAMN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H](C)C2)c1 ZINC000013303467 560805842 /nfs/dbraw/zinc/80/58/42/560805842.db2.gz NLXLJWLFTNXLLP-PEELUZDISA-N 0 1 404.532 3.619 50 0 HHAAMN C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)CCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000103985931 560846449 /nfs/dbraw/zinc/84/64/49/560846449.db2.gz SOSJSQXPSSZICL-LPTQZCDUSA-N 0 1 409.357 3.767 50 0 HHAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984317 560858917 /nfs/dbraw/zinc/85/89/17/560858917.db2.gz WYVCMRDEPCENNA-FGZHOGPDSA-N 0 1 414.521 3.997 50 0 HHAAMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000006482884 560872432 /nfs/dbraw/zinc/87/24/32/560872432.db2.gz FMOKZNHUZSVKFF-UHFFFAOYSA-N 0 1 400.422 3.988 50 0 HHAAMN COC(=O)c1cc(Cl)c(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC ZINC000048112762 568432052 /nfs/dbraw/zinc/43/20/52/568432052.db2.gz MRXLEXROINAXFS-AWEZNQCLSA-N 0 1 411.911 3.621 50 0 HHAAMN O=S(=O)(Nc1ccc(Oc2ncccn2)cc1)c1ccccc1Br ZINC000048230420 568433305 /nfs/dbraw/zinc/43/33/05/568433305.db2.gz BAPSSDJLGCADAF-UHFFFAOYSA-N 0 1 406.261 3.832 50 0 HHAAMN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)c2)n1 ZINC000048300277 568437279 /nfs/dbraw/zinc/43/72/79/568437279.db2.gz WWUPCYGVTGSGPZ-NRFANRHFSA-N 0 1 402.498 3.602 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4cccnc4Cl)ccc3n2)CC1 ZINC000020108577 568588511 /nfs/dbraw/zinc/58/85/11/568588511.db2.gz BXFQLUGKUSEUSM-UHFFFAOYSA-N 0 1 409.921 3.986 50 0 HHAAMN C[C@@H](NC(=O)CCC1=Nc2ccccc2S(=O)(=O)N1)C12CC3CC(CC(C3)C1)C2 ZINC000020618514 568638296 /nfs/dbraw/zinc/63/82/96/568638296.db2.gz BJNOSISAHVUYID-XSXQVXRUSA-N 0 1 415.559 3.510 50 0 HHAAMN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C(C)C)cc1 ZINC000020677600 568639796 /nfs/dbraw/zinc/63/97/96/568639796.db2.gz OPRFCNJAGRLDGI-UHFFFAOYSA-N 0 1 421.545 3.626 50 0 HHAAMN O=C(NCc1ccncc1)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000096280604 568718114 /nfs/dbraw/zinc/71/81/14/568718114.db2.gz DMQHIZHGXDIROO-UHFFFAOYSA-N 0 1 420.944 3.987 50 0 HHAAMN COc1cc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc(OC)c1OC ZINC000096323470 568731887 /nfs/dbraw/zinc/73/18/87/568731887.db2.gz DDPWTEYQKKDUSJ-UHFFFAOYSA-N 0 1 424.500 3.847 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)n1 ZINC000000888859 568739781 /nfs/dbraw/zinc/73/97/81/568739781.db2.gz KJSGQYAAXNOMAX-JXMROGBWSA-N 0 1 414.512 3.608 50 0 HHAAMN CCCN1CCN(c2nnc(-n3cccc3CNc3ccc(F)cc3)s2)CC1 ZINC000021880804 568757151 /nfs/dbraw/zinc/75/71/51/568757151.db2.gz MCLVFPPNJJOYNJ-UHFFFAOYSA-N 0 1 400.527 3.612 50 0 HHAAMN Cc1cccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000022573236 568769807 /nfs/dbraw/zinc/76/98/07/568769807.db2.gz NVUWMMDUCVBMRY-FQEVSTJZSA-N 0 1 408.464 3.884 50 0 HHAAMN CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CC[NH+](CC)CC3)c([O-])n2n1 ZINC000022578104 568770059 /nfs/dbraw/zinc/77/00/59/568770059.db2.gz ILKLQSPMHNTUMB-LJQANCHMSA-N 0 1 413.591 3.909 50 0 HHAAMN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](C)c2ccccc2)c1 ZINC000057327212 568827146 /nfs/dbraw/zinc/82/71/46/568827146.db2.gz LQQQLJDRZBBNRX-OAHLLOKOSA-N 0 1 423.966 3.660 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCc3ccccc32)n1 ZINC000006009395 568835155 /nfs/dbraw/zinc/83/51/55/568835155.db2.gz PEWSBUQKAFSDIS-UHFFFAOYSA-N 0 1 400.891 3.815 50 0 HHAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccccc3Cl)CC2)c1 ZINC000030361138 568862036 /nfs/dbraw/zinc/86/20/36/568862036.db2.gz SDXBXGZMBVSZLR-UHFFFAOYSA-N 0 1 421.994 3.529 50 0 HHAAMN Cc1nc2ccccc2n1CCCNC(=O)c1cc(C)cc(Br)c1O ZINC000058406997 568916782 /nfs/dbraw/zinc/91/67/82/568916782.db2.gz CELLCGHTIWOQRF-UHFFFAOYSA-N 0 1 402.292 3.941 50 0 HHAAMN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 ZINC000058438899 568918776 /nfs/dbraw/zinc/91/87/76/568918776.db2.gz RIGQGNQTZYSMRB-UHFFFAOYSA-N 0 1 419.934 3.964 50 0 HHAAMN O=C1CCSc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2N1 ZINC000015731014 568981477 /nfs/dbraw/zinc/98/14/77/568981477.db2.gz KIBDULCXCHRWGI-UHFFFAOYSA-N 0 1 402.419 3.941 50 0 HHAAMN COc1ccc(-c2nc(CC(=O)NC[C@H](c3ccco3)N3CCCC3)cs2)cc1 ZINC000008346290 568994890 /nfs/dbraw/zinc/99/48/90/568994890.db2.gz QRKFVYBFEZRXDP-LJQANCHMSA-N 0 1 411.527 3.908 50 0 HHAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(O)c(OC)c2)c1 ZINC000035170908 569002171 /nfs/dbraw/zinc/00/21/71/569002171.db2.gz JAEXEIPDDNYRGK-QGZVFWFLSA-N 0 1 405.454 3.766 50 0 HHAAMN CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664610 569006490 /nfs/dbraw/zinc/00/64/90/569006490.db2.gz UCFHATUZMFSAKB-UHFFFAOYSA-N 0 1 401.435 3.978 50 0 HHAAMN CCOc1ccc(CN2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)cc1 ZINC000104404689 569008462 /nfs/dbraw/zinc/00/84/62/569008462.db2.gz DYZUQNYFBBZWBS-HSZRJFAPSA-N 0 1 405.542 3.702 50 0 HHAAMN CCOc1ccc(C[N@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)cc1 ZINC000104625538 569008986 /nfs/dbraw/zinc/00/89/86/569008986.db2.gz MXOZGQXHQQEDIK-HSZRJFAPSA-N 0 1 405.542 3.702 50 0 HHAAMN COc1cc(CCC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc(OC)c1 ZINC000013010868 569050106 /nfs/dbraw/zinc/05/01/06/569050106.db2.gz ROUAXBPJPFZNHZ-JOCHJYFZSA-N 0 1 412.530 3.598 50 0 HHAAMN CN1CCN(c2ccccc2NC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000089382803 569058825 /nfs/dbraw/zinc/05/88/25/569058825.db2.gz WEJMBESLXJOLHN-UHFFFAOYSA-N 0 1 422.451 3.658 50 0 HHAAMN COC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(C)cc3[nH]1)CCC2 ZINC000006516890 569062680 /nfs/dbraw/zinc/06/26/80/569062680.db2.gz DCYDTGJUVWFWDB-UHFFFAOYSA-N 0 1 401.513 3.939 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2OC)N(C)C)cc1OC ZINC000006561015 569066072 /nfs/dbraw/zinc/06/60/72/569066072.db2.gz NAZQJDCWYPKVGG-HXUWFJFHSA-N 0 1 408.498 3.898 50 0 HHAAMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000006590702 569068664 /nfs/dbraw/zinc/06/86/64/569068664.db2.gz PKQVKQZVQLJVMJ-UHFFFAOYSA-N 0 1 417.512 3.886 50 0 HHAAMN CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690061 569070572 /nfs/dbraw/zinc/07/05/72/569070572.db2.gz GSVMYPGTTWPJRD-FZKQIMNGSA-N 0 1 416.547 3.897 50 0 HHAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(O)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064746089 569088304 /nfs/dbraw/zinc/08/83/04/569088304.db2.gz AVLPQESNGXBHHM-UHFFFAOYSA-N 0 1 414.579 3.906 50 0 HHAAMN Cc1ccccc1C1=NO[C@@H](CN(Cc2cccc(F)c2)C[C@H](O)COC(C)C)C1 ZINC000036145803 569098477 /nfs/dbraw/zinc/09/84/77/569098477.db2.gz XNJBVESUFGJTCK-FCHUYYIVSA-N 0 1 414.521 3.915 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000006729924 569102752 /nfs/dbraw/zinc/10/27/52/569102752.db2.gz QHOSXGKEASMDSC-AWEZNQCLSA-N 0 1 418.515 3.582 50 0 HHAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000064837333 569105148 /nfs/dbraw/zinc/10/51/48/569105148.db2.gz IEJNGFFLAOZAGE-UHFFFAOYSA-N 0 1 400.456 3.970 50 0 HHAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)c1 ZINC000006752821 569111468 /nfs/dbraw/zinc/11/14/68/569111468.db2.gz PHZUYUAGEWMKFU-JOCHJYFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)c1 ZINC000006753232 569111719 /nfs/dbraw/zinc/11/17/19/569111719.db2.gz LZJLNFFVRSZHFM-QFIPXVFZSA-N 0 1 407.470 3.681 50 0 HHAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036307453 569129539 /nfs/dbraw/zinc/12/95/39/569129539.db2.gz NLVJXOUCAHRTIP-QGZVFWFLSA-N 0 1 413.493 3.848 50 0 HHAAMN Cc1cccc(Cc2nc(CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000064969825 569138616 /nfs/dbraw/zinc/13/86/16/569138616.db2.gz GSPVKCGKLVPHNY-UHFFFAOYSA-N 0 1 412.559 3.522 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036345550 569143162 /nfs/dbraw/zinc/14/31/62/569143162.db2.gz AUPOUUMWNCOZCA-XMMPIXPASA-N 0 1 404.558 3.619 50 0 HHAAMN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000006924498 569182797 /nfs/dbraw/zinc/18/27/97/569182797.db2.gz OMYHZBVKZXADEW-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C3CC3)o2)c1 ZINC000065194173 569192643 /nfs/dbraw/zinc/19/26/43/569192643.db2.gz ILVHKRBLQRAYJT-UHFFFAOYSA-N 0 1 414.487 3.573 50 0 HHAAMN CCCCN1CCN(C(=O)c2cccc3c2CCN3C(=O)Nc2ccccc2)CC1 ZINC000065210123 569196602 /nfs/dbraw/zinc/19/66/02/569196602.db2.gz ITYOQBXUSMTTEU-UHFFFAOYSA-N 0 1 406.530 3.839 50 0 HHAAMN COC(=O)[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1c1ccsc1 ZINC000170601410 569243218 /nfs/dbraw/zinc/24/32/18/569243218.db2.gz GFRSQZAFYQYSSU-VXGBXAGGSA-N 0 1 400.283 3.789 50 0 HHAAMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000007505384 569243431 /nfs/dbraw/zinc/24/34/31/569243431.db2.gz XSMMFSSZLFHTLA-ZDUSSCGKSA-N 0 1 407.488 3.805 50 0 HHAAMN COc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000016960479 569268991 /nfs/dbraw/zinc/26/89/91/569268991.db2.gz IJYDVPRPDDPQAO-UHFFFAOYSA-N 0 1 417.874 3.797 50 0 HHAAMN CCCCOc1ccc(-c2nnc(CN3CCC[C@@H]3[C@@H]3CCCN3C(C)=O)o2)cc1 ZINC000089954825 569269930 /nfs/dbraw/zinc/26/99/30/569269930.db2.gz QLZSJWNOJVEJFI-RTWAWAEBSA-N 0 1 412.534 3.891 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1 ZINC000017050980 569272529 /nfs/dbraw/zinc/27/25/29/569272529.db2.gz ZEJLMYYFFPEBRI-UHFFFAOYSA-N 0 1 403.410 3.721 50 0 HHAAMN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CN2CCCCCC2)cc1=O ZINC000017120726 569275115 /nfs/dbraw/zinc/27/51/15/569275115.db2.gz JGTQBZKIUWCEQX-UHFFFAOYSA-N 0 1 417.937 3.833 50 0 HHAAMN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCCN(C)C)cc1 ZINC000002082517 569278516 /nfs/dbraw/zinc/27/85/16/569278516.db2.gz BVLFUVYGUATWBS-UHFFFAOYSA-N 0 1 405.545 3.908 50 0 HHAAMN COc1cc(OC)cc(Oc2ccc(CN[C@H]3CCN(CC(F)(F)F)C3=O)cc2)c1 ZINC000237360292 569281852 /nfs/dbraw/zinc/28/18/52/569281852.db2.gz PGAVOGHVXVHVKS-IBGZPJMESA-N 0 1 424.419 3.749 50 0 HHAAMN Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)no1 ZINC000007628591 569297693 /nfs/dbraw/zinc/29/76/93/569297693.db2.gz BTLWAFKALKXYLO-VIFPVBQESA-N 0 1 408.281 3.650 50 0 HHAAMN CC(C)NC(=O)CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000002973789 569322624 /nfs/dbraw/zinc/32/26/24/569322624.db2.gz SVFLZPMKLFRDQE-UHFFFAOYSA-N 0 1 412.353 3.907 50 0 HHAAMN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCCCN(C)C)o2)cc1 ZINC000012419252 569401095 /nfs/dbraw/zinc/40/10/95/569401095.db2.gz GHFVHFAEPYZTPR-UHFFFAOYSA-N 0 1 417.506 3.986 50 0 HHAAMN COc1ccc(-c2n[nH]c(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 ZINC000012553604 569401672 /nfs/dbraw/zinc/40/16/72/569401672.db2.gz AZTOXGMQTNTLQR-UHFFFAOYSA-N 0 1 413.437 3.985 50 0 HHAAMN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NN3CCCCC3)c2c1C ZINC000013041327 569407976 /nfs/dbraw/zinc/40/79/76/569407976.db2.gz ZBTZJJFFHDYCIJ-UHFFFAOYSA-N 0 1 417.579 3.975 50 0 HHAAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000013058863 569408160 /nfs/dbraw/zinc/40/81/60/569408160.db2.gz JYHUKAJHYDOKEX-SFHVURJKSA-N 0 1 417.575 3.623 50 0 HHAAMN CCc1cc(=O)n2nc(N3CCC[C@H]3c3nc4ccc(Cl)cc4[nH]3)sc2n1 ZINC000079061793 569426403 /nfs/dbraw/zinc/42/64/03/569426403.db2.gz DTQCPJIIJOSGHP-AWEZNQCLSA-N 0 1 400.895 3.585 50 0 HHAAMN COc1ccc(CN2CCC(NC(=O)c3cc4ccccc4n3C)CC2)cc1OC ZINC000079480111 569431744 /nfs/dbraw/zinc/43/17/44/569431744.db2.gz PZUGJPYUJIXIGX-UHFFFAOYSA-N 0 1 407.514 3.590 50 0 HHAAMN CCCN1c2ccc(NS(=O)(=O)c3cc(C)ccc3OCC)cc2CCC1=O ZINC000008840582 571123311 /nfs/dbraw/zinc/12/33/11/571123311.db2.gz GULYUIHVUFKTBA-UHFFFAOYSA-N 0 1 402.516 3.884 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008901105 571144732 /nfs/dbraw/zinc/14/47/32/571144732.db2.gz DXZIQQRUMQUIFO-FQEVSTJZSA-N 0 1 421.588 3.602 50 0 HHAAMN CCN1CCC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)C1 ZINC000040157634 571204131 /nfs/dbraw/zinc/20/41/31/571204131.db2.gz TZAHRJAUVGLPAW-CYBMUJFWSA-N 0 1 400.832 3.759 50 0 HHAAMN O=C1[C@@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009319788 571247920 /nfs/dbraw/zinc/24/79/20/571247920.db2.gz WYZKGYKOYGOCGM-IEBWSBKVSA-N 0 1 421.250 3.895 50 0 HHAAMN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc3[nH]nnc3c1)CC2 ZINC000009466881 571261161 /nfs/dbraw/zinc/26/11/61/571261161.db2.gz CNYCJYAZGQLTFV-NRFANRHFSA-N 0 1 420.494 3.825 50 0 HHAAMN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000009507455 571263824 /nfs/dbraw/zinc/26/38/24/571263824.db2.gz LESQUDJZBCAGSB-UHFFFAOYSA-N 0 1 416.318 3.758 50 0 HHAAMN CCc1cccc(C)c1NS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000009685075 571279754 /nfs/dbraw/zinc/27/97/54/571279754.db2.gz OXZPWPLAJKERJT-UHFFFAOYSA-N 0 1 417.575 3.940 50 0 HHAAMN Cn1cc(CN2CCC[C@H](C(=O)c3ccccc3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012056114 962231152 /nfs/dbraw/zinc/23/11/52/962231152.db2.gz MKRVPXIFQNTXNH-FQEVSTJZSA-N 0 1 417.509 3.953 50 0 HHAAMN COc1ccccc1-n1cc(CN2CCC(CO)(CCOc3ccccc3)CC2)cn1 ZINC000012717419 962320087 /nfs/dbraw/zinc/32/00/87/962320087.db2.gz XTRVYJLSNKLQBQ-UHFFFAOYSA-N 0 1 421.541 3.925 50 0 HHAAMN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc4nsnc4c3)N3CCC[C@@]23C1=O ZINC000013596059 962394679 /nfs/dbraw/zinc/39/46/79/962394679.db2.gz QODSDBAVKXRHFB-NYDSKATKSA-N 0 1 420.538 3.638 50 0 HHAAMN COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(c3ccccc3OC)C(=O)[C@]23CCCN13 ZINC000020782701 963395052 /nfs/dbraw/zinc/39/50/52/963395052.db2.gz UWZYROWVKLWJQI-PAXLSAHNSA-N 0 1 404.510 3.987 50 0 HHAAMN O=C(/C=C\c1ccc(OCc2ccccn2)cc1)NCCN1CCc2ccccc2C1 ZINC000098006744 969185261 /nfs/dbraw/zinc/18/52/61/969185261.db2.gz IYJZXWPNBSXZCL-RAXLEYEMSA-N 0 1 413.521 3.848 50 0 HHAAMN Cc1[nH]c(SCC(=O)Nc2ccccc2N2CCOCC2)nc1Cc1ccccc1 ZINC000012529480 132362045 /nfs/dbraw/zinc/36/20/45/132362045.db2.gz PZYFVWUHUQBRMW-UHFFFAOYSA-N 0 1 422.554 3.876 50 0 HHAAMN CN1CCN(c2ccccc2NC(=O)CSCc2nc3ccccc3s2)CC1 ZINC000012551472 132363062 /nfs/dbraw/zinc/36/30/62/132363062.db2.gz CJSAIMLLFBCLNF-UHFFFAOYSA-N 0 1 412.584 3.920 50 0 HHAAMN O=C(C1=CCCC1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015078769 132461321 /nfs/dbraw/zinc/46/13/21/132461321.db2.gz QHRIGTWADZOAQX-FQEVSTJZSA-N 0 1 407.480 3.929 50 0 HHAAMN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C)cc3C)cc21 ZINC000040454583 519630468 /nfs/dbraw/zinc/63/04/68/519630468.db2.gz LIXFWPXILPLEPA-UHFFFAOYSA-N 0 1 423.332 3.776 50 0 HHAAMN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020574938 521384944 /nfs/dbraw/zinc/38/49/44/521384944.db2.gz DXFKBDYIAKVQSR-UHFFFAOYSA-N 0 1 406.382 3.508 50 0 HHAAMN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)c1 ZINC000040283396 522141691 /nfs/dbraw/zinc/14/16/91/522141691.db2.gz KWFPZEJYYYSPSE-FQEVSTJZSA-N 0 1 424.432 3.524 50 0 HHAAMN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@H]1CCc2ccccc21 ZINC000029485920 522498473 /nfs/dbraw/zinc/49/84/73/522498473.db2.gz XEIPDXWWCNSVLR-SFHVURJKSA-N 0 1 415.419 3.844 50 0 HHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F ZINC000040286994 522988055 /nfs/dbraw/zinc/98/80/55/522988055.db2.gz SIAVYENIJXSCJQ-IBGZPJMESA-N 0 1 422.888 3.593 50 0 HHAAMN COc1ccc(C(C)=O)cc1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032781156 523790060 /nfs/dbraw/zinc/79/00/60/523790060.db2.gz VKHMDTFULLKZKA-UHFFFAOYSA-N 0 1 414.933 3.875 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)NCCc3ccccc3)cc12 ZINC000020574553 525076918 /nfs/dbraw/zinc/07/69/18/525076918.db2.gz QSVNPQDDTSQPEV-UHFFFAOYSA-N 0 1 403.530 3.659 50 0 HHAAMN Cc1ncc(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)s1 ZINC000020233709 527253848 /nfs/dbraw/zinc/25/38/48/527253848.db2.gz NMVLKPGOEVWVNA-UHFFFAOYSA-N 0 1 422.554 3.820 50 0 HHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000000644678 557034548 /nfs/dbraw/zinc/03/45/48/557034548.db2.gz LTIXDYFVAMDYBB-UHFFFAOYSA-N 0 1 417.268 3.799 50 0 HHAAMN CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000001063450 557165285 /nfs/dbraw/zinc/16/52/85/557165285.db2.gz RSMFFPTULAVZPE-UHFFFAOYSA-N 0 1 424.478 3.916 50 0 HHAAMN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000001216275 557246070 /nfs/dbraw/zinc/24/60/70/557246070.db2.gz FKDSFMKLXZHBDP-UHFFFAOYSA-N 0 1 410.499 3.827 50 0 HHAAMN O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002757076 557380439 /nfs/dbraw/zinc/38/04/39/557380439.db2.gz UPNCJAGKAHYGAH-FCHUYYIVSA-N 0 1 404.510 3.587 50 0 HHAAMN O=C(NCc1cccnc1)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684565 557387667 /nfs/dbraw/zinc/38/76/67/557387667.db2.gz XAMKLKMHTSAYJN-UHFFFAOYSA-N 0 1 420.944 3.987 50 0 HHAAMN CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCCOC(C)C ZINC000004616340 557572967 /nfs/dbraw/zinc/57/29/67/557572967.db2.gz GPOZKBAFUCAXSJ-JOCHJYFZSA-N 0 1 424.497 3.862 50 0 HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c(C)c1 ZINC000004756667 557594200 /nfs/dbraw/zinc/59/42/00/557594200.db2.gz JAVIZQRATKEUJX-MRXNPFEDSA-N 0 1 422.934 3.666 50 0 HHAAMN CCOc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC(C)C ZINC000005573499 557662638 /nfs/dbraw/zinc/66/26/38/557662638.db2.gz GUEHCIIYVHOOKM-HNNXBMFYSA-N 0 1 413.337 3.592 50 0 HHAAMN Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2nc1CC[NH+]1CCCCC1 ZINC000006467792 557703997 /nfs/dbraw/zinc/70/39/97/557703997.db2.gz BPBRWXQCLOLBHI-UHFFFAOYSA-N 0 1 416.522 3.542 50 0 HHAAMN O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1 ZINC000019731896 558259838 /nfs/dbraw/zinc/25/98/38/558259838.db2.gz CJVDGQNXVPOXBG-QRUZDJRHSA-N 0 1 416.581 3.932 50 0 HHAAMN CCc1ccc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)o1 ZINC000011841178 558286990 /nfs/dbraw/zinc/28/69/90/558286990.db2.gz JPUNGCKWGBQVGH-UHFFFAOYSA-N 0 1 420.937 3.915 50 0 HHAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019834828 558292560 /nfs/dbraw/zinc/29/25/60/558292560.db2.gz YBJZAGAFMAIOGZ-UHFFFAOYSA-N 0 1 407.345 3.933 50 0 HHAAMN CCCC[C@@H]1CN(CCNC(=O)CCc2c(C)nn(C)c2C)Cc2ccccc2O1 ZINC000012148982 558338439 /nfs/dbraw/zinc/33/84/39/558338439.db2.gz QWCRRBFJDMFHTA-OAQYLSRUSA-N 0 1 412.578 3.539 50 0 HHAAMN O=C1CCN(Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1cccnc1 ZINC000012159106 558341374 /nfs/dbraw/zinc/34/13/74/558341374.db2.gz IANPBBQXRLKIEZ-UHFFFAOYSA-N 0 1 401.510 3.895 50 0 HHAAMN O[C@H](CSc1ccc(F)cc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020421539 558362018 /nfs/dbraw/zinc/36/20/18/558362018.db2.gz WBSJSDUBUKAUOD-INIZCTEOSA-N 0 1 415.456 3.515 50 0 HHAAMN CCOc1ccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022928337 558363878 /nfs/dbraw/zinc/36/38/78/558363878.db2.gz DOMCOOGTMDHXLE-PGRDOPGGSA-N 0 1 412.603 3.749 50 0 HHAAMN COC(=O)c1ccc(-c2noc(CN3CCCC[C@H]3CCc3ccccn3)n2)cc1 ZINC000012308614 558377025 /nfs/dbraw/zinc/37/70/25/558377025.db2.gz SEXCPDLIPHGOMM-FQEVSTJZSA-N 0 1 406.486 3.906 50 0 HHAAMN CC1(C)C[C@H](NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CCO1 ZINC000012319120 558381668 /nfs/dbraw/zinc/38/16/68/558381668.db2.gz YWAVZMYEUHMVHK-HXUWFJFHSA-N 0 1 423.557 3.812 50 0 HHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2F)c1 ZINC000020728709 558405703 /nfs/dbraw/zinc/40/57/03/558405703.db2.gz LRKBWKNMUJQSOO-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N3)cc1 ZINC000020735789 558407725 /nfs/dbraw/zinc/40/77/25/558407725.db2.gz JGSJULGTSRJDTF-GOSISDBHSA-N 0 1 405.458 3.599 50 0 HHAAMN Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012435045 558408826 /nfs/dbraw/zinc/40/88/26/558408826.db2.gz OKPPWGGAVDFNJZ-IBGZPJMESA-N 0 1 403.486 3.823 50 0 HHAAMN COc1cccc(C[C@@]2(CO)CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)c1 ZINC000012438829 558410407 /nfs/dbraw/zinc/41/04/07/558410407.db2.gz SYOTVEJLSOREMZ-QFIPXVFZSA-N 0 1 405.922 3.880 50 0 HHAAMN Cc1cc(C(=O)N2CCC(CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000012445547 558413770 /nfs/dbraw/zinc/41/37/70/558413770.db2.gz QYVCREGNVNBFPC-UHFFFAOYSA-N 0 1 422.451 3.686 50 0 HHAAMN Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1N1CCN(C)CC1 ZINC000021487874 558439852 /nfs/dbraw/zinc/43/98/52/558439852.db2.gz AHIZOPCSSOLVLN-UHFFFAOYSA-N 0 1 404.514 3.973 50 0 HHAAMN CCc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000004354682 558440089 /nfs/dbraw/zinc/44/00/89/558440089.db2.gz QQHLVLQXGNQFKS-NDENLUEZSA-N 0 1 420.444 3.681 50 0 HHAAMN COc1ccc([C@H]2CCCCCN2CC(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000022011668 558457854 /nfs/dbraw/zinc/45/78/54/558457854.db2.gz CYYLYJKIKTYRDN-JOCHJYFZSA-N 0 1 409.530 3.521 50 0 HHAAMN C[C@H](NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995945 558498560 /nfs/dbraw/zinc/49/85/60/558498560.db2.gz HSGYQRONQBZKBM-MBSDFSHPSA-N 0 1 422.550 3.711 50 0 HHAAMN COc1ccc(NC(=O)[C@@H](C)N2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000022916449 558521662 /nfs/dbraw/zinc/52/16/62/558521662.db2.gz ARZXKPSUYMHYMF-QGZVFWFLSA-N 0 1 401.938 3.536 50 0 HHAAMN Cc1ccc(S(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4O)cn3)cc2)cc1 ZINC000013148381 558523302 /nfs/dbraw/zinc/52/33/02/558523302.db2.gz XPBNFBDKUZAKOP-UHFFFAOYSA-N 0 1 418.474 3.950 50 0 HHAAMN CN1CCN(c2ccc(CNC(=O)c3ccccc3Nc3ccccc3)cn2)CC1 ZINC000023318122 558548850 /nfs/dbraw/zinc/54/88/50/558548850.db2.gz ARGYLVMWVSCJQE-UHFFFAOYSA-N 0 1 401.514 3.507 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)c(C)c1C ZINC000023374972 558554563 /nfs/dbraw/zinc/55/45/63/558554563.db2.gz LOUCSGNTBIXQCF-FQEVSTJZSA-N 0 1 404.501 3.659 50 0 HHAAMN OCCN1CCN(c2nc(-c3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000025285277 558636760 /nfs/dbraw/zinc/63/67/60/558636760.db2.gz FGTNXOSEHDKGDI-UHFFFAOYSA-N 0 1 414.962 3.615 50 0 HHAAMN CN(C)[C@H](CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccsc1 ZINC000025816369 558650753 /nfs/dbraw/zinc/65/07/53/558650753.db2.gz PAUQQDMWWAXKKS-HXUWFJFHSA-N 0 1 423.517 3.896 50 0 HHAAMN O=C(CCN1CCC[C@H]1C(=O)NCc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000026134716 558656322 /nfs/dbraw/zinc/65/63/22/558656322.db2.gz SCLMEMAFAJZUQU-KRWDZBQOSA-N 0 1 410.301 3.696 50 0 HHAAMN CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccnc3)CC2)C1=O ZINC000014535126 558657828 /nfs/dbraw/zinc/65/78/28/558657828.db2.gz AVHSJOONIPZGRP-UHFFFAOYSA-N 0 1 420.557 3.579 50 0 HHAAMN CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccoc1)CC2 ZINC000014541643 558660433 /nfs/dbraw/zinc/66/04/33/558660433.db2.gz URPDNEGKYWYYCP-UHFFFAOYSA-N 0 1 424.545 3.562 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000028813344 558705098 /nfs/dbraw/zinc/70/50/98/558705098.db2.gz DNUYXHUGHHSBRQ-UHFFFAOYSA-N 0 1 409.554 3.917 50 0 HHAAMN CCCn1ncc(CN2CCC(Cc3cccc(OC)c3)(C(=O)OCC)CC2)c1C ZINC000015066836 558709746 /nfs/dbraw/zinc/70/97/46/558709746.db2.gz QJPFHTDHBFAYPM-UHFFFAOYSA-N 0 1 413.562 3.998 50 0 HHAAMN Cc1cccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)c1 ZINC000016020185 558767365 /nfs/dbraw/zinc/76/73/65/558767365.db2.gz JFQGNNCALWRPAA-MTNXOHHFSA-N 0 1 405.542 3.571 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000016189167 558776933 /nfs/dbraw/zinc/77/69/33/558776933.db2.gz YNMAZBVALCGMPA-UHFFFAOYSA-N 0 1 403.482 3.631 50 0 HHAAMN CC(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145855 558797966 /nfs/dbraw/zinc/79/79/66/558797966.db2.gz VAZRBLAKDVLURD-VXKWHMMOSA-N 0 1 400.494 3.607 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036340889 558799080 /nfs/dbraw/zinc/79/90/80/558799080.db2.gz OOVIEOKKDDWYOQ-HSZRJFAPSA-N 0 1 424.976 3.964 50 0 HHAAMN O=S(=O)(c1ccc(Cl)s1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017082117 558814000 /nfs/dbraw/zinc/81/40/00/558814000.db2.gz PUIKAFGCEJNGPC-UHFFFAOYSA-N 0 1 400.997 3.677 50 0 HHAAMN CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4cccc(C)c4)n[nH]3)C2=O)cc1 ZINC000018208807 558833532 /nfs/dbraw/zinc/83/35/32/558833532.db2.gz LNYWMOOANWIOGL-QGZVFWFLSA-N 0 1 408.483 3.603 50 0 HHAAMN C[C@H](CC(=O)N[C@@H](C)CCc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000004598503 558834806 /nfs/dbraw/zinc/83/48/06/558834806.db2.gz FYQMIILTOXGPAM-IRXDYDNUSA-N 0 1 413.543 3.562 50 0 HHAAMN CCCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000013520187 558835785 /nfs/dbraw/zinc/83/57/85/558835785.db2.gz VANLQPBIMXKNMB-UHFFFAOYSA-N 0 1 402.520 3.636 50 0 HHAAMN O=C(NC1CCCCC1)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071322 558866615 /nfs/dbraw/zinc/86/66/15/558866615.db2.gz SGCGBKCUDLOKSK-ZDUSSCGKSA-N 0 1 405.340 3.991 50 0 HHAAMN Clc1ccccc1Cn1ncc2c1ncnc2N1CCN(Cc2ccccc2)CC1 ZINC000054333072 558867646 /nfs/dbraw/zinc/86/76/46/558867646.db2.gz DEGWGLDDXFJSOQ-UHFFFAOYSA-N 0 1 418.932 3.850 50 0 HHAAMN CCCCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033078824 558868094 /nfs/dbraw/zinc/86/80/94/558868094.db2.gz ALZAWHJDZLEYPA-UHFFFAOYSA-N 0 1 413.493 3.975 50 0 HHAAMN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCc1cccc(C(F)(F)F)c1 ZINC000055310322 558879109 /nfs/dbraw/zinc/87/91/09/558879109.db2.gz IZFWZXGWNBCTHX-UHFFFAOYSA-N 0 1 410.827 3.998 50 0 HHAAMN CN(C)[C@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccsc1 ZINC000058161477 558905702 /nfs/dbraw/zinc/90/57/02/558905702.db2.gz DVSGPDFJWNXFIK-MRXNPFEDSA-N 0 1 424.452 3.772 50 0 HHAAMN COc1ccc(-c2nn(CN3CCC(c4n[nH]c(C5CC5)n4)CC3)c(=S)o2)cc1 ZINC000058356567 558921481 /nfs/dbraw/zinc/92/14/81/558921481.db2.gz MMDSQXHUSZSXTG-UHFFFAOYSA-N 0 1 412.519 3.714 50 0 HHAAMN COc1ccc(-c2nn(CN3CCC(c4nc(C5CC5)n[nH]4)CC3)c(=S)o2)cc1 ZINC000058356567 558921484 /nfs/dbraw/zinc/92/14/84/558921484.db2.gz MMDSQXHUSZSXTG-UHFFFAOYSA-N 0 1 412.519 3.714 50 0 HHAAMN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1CN1CCC[C@H](C)C1 ZINC000058964669 558931141 /nfs/dbraw/zinc/93/11/41/558931141.db2.gz PQKWEPSWBMLCKN-SFHVURJKSA-N 0 1 414.571 3.642 50 0 HHAAMN CNC(=O)c1ccc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000036390866 558934988 /nfs/dbraw/zinc/93/49/88/558934988.db2.gz KDOQLXWKEQXRMJ-QYFOZDBKSA-N 0 1 411.933 3.666 50 0 HHAAMN COc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1OC ZINC000059779037 558939045 /nfs/dbraw/zinc/93/90/45/558939045.db2.gz WGMCYASOIGXLGE-UHFFFAOYSA-N 0 1 416.503 3.722 50 0 HHAAMN OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1Cc1ccccc1 ZINC000019595413 558946151 /nfs/dbraw/zinc/94/61/51/558946151.db2.gz ZHIVGRALHDLEIU-OAQYLSRUSA-N 0 1 410.949 3.595 50 0 HHAAMN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000064053454 558961882 /nfs/dbraw/zinc/96/18/82/558961882.db2.gz CVSYFVDJHUZTBI-NRFANRHFSA-N 0 1 408.546 3.822 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000065365627 558976612 /nfs/dbraw/zinc/97/66/12/558976612.db2.gz VYHOVTJPJYTSGS-UHFFFAOYSA-N 0 1 414.941 3.783 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 ZINC000072437558 558980891 /nfs/dbraw/zinc/98/08/91/558980891.db2.gz UYPUKQKCRHPXFU-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN CCOc1ccccc1NC(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1 ZINC000072437849 558981239 /nfs/dbraw/zinc/98/12/39/558981239.db2.gz QIMYVCYJENKXRK-UHFFFAOYSA-N 0 1 424.549 3.528 50 0 HHAAMN O=C([O-])c1cccc(-c2ccc(C(=O)N3CCC[N@H+](C4CCCCC4)CC3)cn2)c1 ZINC000067885948 558994389 /nfs/dbraw/zinc/99/43/89/558994389.db2.gz VFHJQXKAJCUYCJ-UHFFFAOYSA-N 0 1 407.514 3.927 50 0 HHAAMN O[C@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023115044 559012712 /nfs/dbraw/zinc/01/27/12/559012712.db2.gz RJWQTVREXYCKFM-YIEZCRKJSA-N 0 1 402.554 3.542 50 0 HHAAMN O=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1cc(Cl)ccc1Cl ZINC000023127666 559015993 /nfs/dbraw/zinc/01/59/93/559015993.db2.gz XDAVYJKJHZZUHX-UHFFFAOYSA-N 0 1 403.331 3.777 50 0 HHAAMN Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000023133024 559017958 /nfs/dbraw/zinc/01/79/58/559017958.db2.gz NSOWXLZHTHTYJX-OAQYLSRUSA-N 0 1 413.543 3.894 50 0 HHAAMN O=C(CN1CCN([C@@H]2CCCSC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000097032804 559021532 /nfs/dbraw/zinc/02/15/32/559021532.db2.gz XJWJGYUCFMCKBW-CQSZACIVSA-N 0 1 421.916 3.811 50 0 HHAAMN COc1cccc(CN2C[C@@H](c3nc(-c4ccc5[nH]cnc5c4)no3)CCC2=O)c1 ZINC000091649779 559072595 /nfs/dbraw/zinc/07/25/95/559072595.db2.gz ITLUQZWLORMSLQ-INIZCTEOSA-N 0 1 403.442 3.528 50 0 HHAAMN O=C1C[C@H]([C@@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100789891 559140882 /nfs/dbraw/zinc/14/08/82/559140882.db2.gz KOJFHACVEAYTSQ-DLBZAZTESA-N 0 1 408.420 3.601 50 0 HHAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000137523200 559280253 /nfs/dbraw/zinc/28/02/53/559280253.db2.gz KERNKEUSBXMSQX-BHDDXSALSA-N 0 1 400.434 3.746 50 0 HHAAMN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)cc3O)n[nH]1)CCCC2 ZINC000005343803 560566748 /nfs/dbraw/zinc/56/67/48/560566748.db2.gz BNEWGLCMYSNIPK-UHFFFAOYSA-N 0 1 410.499 3.643 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2F)N(CCCO)C3=O)cc1Cl ZINC000005342724 560568040 /nfs/dbraw/zinc/56/80/40/560568040.db2.gz HEWGEISEOGIEKL-FQEVSTJZSA-N 0 1 415.852 3.811 50 0 HHAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000005343382 560568130 /nfs/dbraw/zinc/56/81/30/560568130.db2.gz CBUCGOGCRMCUCJ-KSFYIVLOSA-N 0 1 405.454 3.515 50 0 HHAAMN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(Cl)cc2)N(CCN(C)C)C1=O ZINC000005351970 560569071 /nfs/dbraw/zinc/56/90/71/560569071.db2.gz SKDIJVSARWQOIN-IBGZPJMESA-N 0 1 412.873 3.562 50 0 HHAAMN CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S ZINC000101456095 560795334 /nfs/dbraw/zinc/79/53/34/560795334.db2.gz APPRWOYPIYLXIJ-OAHLLOKOSA-N 0 1 420.922 3.763 50 0 HHAAMN CC(C)COC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982975 560859057 /nfs/dbraw/zinc/85/90/57/560859057.db2.gz RWTSNIIHWPDSRX-NHCUHLMSSA-N 0 1 414.521 3.854 50 0 HHAAMN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)c2)n1 ZINC000048300279 568437299 /nfs/dbraw/zinc/43/72/99/568437299.db2.gz WWUPCYGVTGSGPZ-OAQYLSRUSA-N 0 1 402.498 3.602 50 0 HHAAMN Cc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc(-c2ccncc2)n1 ZINC000048365336 568441802 /nfs/dbraw/zinc/44/18/02/568441802.db2.gz PYHOOSDKERKIPF-UHFFFAOYSA-N 0 1 409.921 3.701 50 0 HHAAMN Cc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4C)[nH]n3)CC2)c1 ZINC000049406858 568449015 /nfs/dbraw/zinc/44/90/15/568449015.db2.gz HSFXXPJHBJOFKR-UHFFFAOYSA-N 0 1 402.498 3.728 50 0 HHAAMN CCN(CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC)C1CC1 ZINC000095432819 568609261 /nfs/dbraw/zinc/60/92/61/568609261.db2.gz DYHBLLSLLGBYCP-OAQYLSRUSA-N 0 1 421.541 3.918 50 0 HHAAMN O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095441897 568610770 /nfs/dbraw/zinc/61/07/70/568610770.db2.gz WWIXNSKJJRPMKF-SFHVURJKSA-N 0 1 416.510 3.896 50 0 HHAAMN O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095441897 568610771 /nfs/dbraw/zinc/61/07/71/568610771.db2.gz WWIXNSKJJRPMKF-SFHVURJKSA-N 0 1 416.510 3.896 50 0 HHAAMN CNC(=O)c1cccc(CN[C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)c1 ZINC000095450991 568614467 /nfs/dbraw/zinc/61/44/67/568614467.db2.gz IVWIHQYMJJAUDT-OAHLLOKOSA-N 0 1 412.534 3.625 50 0 HHAAMN CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000020516076 568623776 /nfs/dbraw/zinc/62/37/76/568623776.db2.gz REYHLRLBPNQCKF-NSHDSACASA-N 0 1 414.405 3.640 50 0 HHAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020677521 568639669 /nfs/dbraw/zinc/63/96/69/568639669.db2.gz ZWSXSHGVSIRDSS-UHFFFAOYSA-N 0 1 405.546 3.754 50 0 HHAAMN O=C(CCc1ccc(Cl)cc1Cl)N[C@H](c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000225584260 568654589 /nfs/dbraw/zinc/65/45/89/568654589.db2.gz HVXBLIXOXAUDHJ-INIZCTEOSA-N 0 1 412.227 3.623 50 0 HHAAMN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n[nH]c1-2 ZINC000021018321 568657903 /nfs/dbraw/zinc/65/79/03/568657903.db2.gz AXFFYIGQQZPUHS-UHFFFAOYSA-N 0 1 422.916 3.800 50 0 HHAAMN C[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)c1ccccc1 ZINC000095995764 568678905 /nfs/dbraw/zinc/67/89/05/568678905.db2.gz UBALRBIJMZKNPX-MRXNPFEDSA-N 0 1 407.967 3.637 50 0 HHAAMN CC(=O)c1cccc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000096012657 568684917 /nfs/dbraw/zinc/68/49/17/568684917.db2.gz JUZPWSYXBMVNNN-INIZCTEOSA-N 0 1 403.364 3.937 50 0 HHAAMN CCN1CCN(c2c(C(=O)c3ccc(C)cc3)cnc3cc(OC)c(OC)cc32)CC1 ZINC000021522521 568708779 /nfs/dbraw/zinc/70/87/79/568708779.db2.gz ZFDOLWFXJYKZQD-UHFFFAOYSA-N 0 1 419.525 3.933 50 0 HHAAMN Cc1csc(Oc2ccc(NS(=O)(=O)c3cc(Cl)cnc3N)cc2F)n1 ZINC000241930350 568732053 /nfs/dbraw/zinc/73/20/53/568732053.db2.gz UHWWIHIRLMXDDN-UHFFFAOYSA-N 0 1 414.871 3.814 50 0 HHAAMN CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324737 568734364 /nfs/dbraw/zinc/73/43/64/568734364.db2.gz AJEMWGFHYXVMCW-SFHVURJKSA-N 0 1 403.486 3.525 50 0 HHAAMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)cc1 ZINC000096379828 568741596 /nfs/dbraw/zinc/74/15/96/568741596.db2.gz SOSIOCVFPPSTTG-UHFFFAOYSA-N 0 1 400.460 3.562 50 0 HHAAMN CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CC[NH+](CC)CC3)c([O-])n2n1 ZINC000022578109 568770083 /nfs/dbraw/zinc/77/00/83/568770083.db2.gz ILKLQSPMHNTUMB-IBGZPJMESA-N 0 1 413.591 3.909 50 0 HHAAMN CCOc1ccccc1OC1CCN(C(=O)c2n[nH]c(C)c2Br)CC1 ZINC000055623489 568780731 /nfs/dbraw/zinc/78/07/31/568780731.db2.gz VFYVSROGPYBORB-UHFFFAOYSA-N 0 1 408.296 3.563 50 0 HHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NCc1ccccc1 ZINC000002642597 568793998 /nfs/dbraw/zinc/79/39/98/568793998.db2.gz PZHGEGYWEKSGOA-UHFFFAOYSA-N 0 1 403.305 3.643 50 0 HHAAMN O=C(CNC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000025562161 568821528 /nfs/dbraw/zinc/82/15/28/568821528.db2.gz YJEAICUGKPXERI-QGZVFWFLSA-N 0 1 411.424 3.934 50 0 HHAAMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000057378677 568830180 /nfs/dbraw/zinc/83/01/80/568830180.db2.gz IFVKGSUVXLKMSV-OALUTQOASA-N 0 1 407.558 3.976 50 0 HHAAMN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478405 568839705 /nfs/dbraw/zinc/83/97/05/568839705.db2.gz TVELQLYLOVJXOR-HSZRJFAPSA-N 0 1 421.541 3.942 50 0 HHAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000012520692 568841325 /nfs/dbraw/zinc/84/13/25/568841325.db2.gz HPOWNHBJZFHBLF-UHFFFAOYSA-N 0 1 414.531 3.671 50 0 HHAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cc(F)cc(F)c1 ZINC000012560912 568858344 /nfs/dbraw/zinc/85/83/44/568858344.db2.gz DWUPNWGTQBYLCR-UHFFFAOYSA-N 0 1 403.332 3.970 50 0 HHAAMN Cc1ccc(CN2CCCN(C(=O)CCc3nnc(-c4ccsc4)o3)CC2)cc1 ZINC000031225446 568919834 /nfs/dbraw/zinc/91/98/34/568919834.db2.gz SOMQRXNRRFDNQP-UHFFFAOYSA-N 0 1 410.543 3.774 50 0 HHAAMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000012728100 568920790 /nfs/dbraw/zinc/92/07/90/568920790.db2.gz BVYROVAJBLKAKV-JOCHJYFZSA-N 0 1 416.525 3.625 50 0 HHAAMN CSc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)N1CCCCCC1 ZINC000016624511 568928685 /nfs/dbraw/zinc/92/86/85/568928685.db2.gz CMFRPJABWSLIHU-UHFFFAOYSA-N 0 1 405.545 3.621 50 0 HHAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1 ZINC000031722487 568929815 /nfs/dbraw/zinc/92/98/15/568929815.db2.gz JWCREFWCTMTVNO-UHFFFAOYSA-N 0 1 422.304 3.503 50 0 HHAAMN O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000004576695 568934297 /nfs/dbraw/zinc/93/42/97/568934297.db2.gz GQWFTSVUOGLZKM-QHCPKHFHSA-N 0 1 424.566 3.882 50 0 HHAAMN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)N1CCCCC1 ZINC000004064496 568937626 /nfs/dbraw/zinc/93/76/26/568937626.db2.gz QIDPWIKJFMARTD-OYDLWJJNSA-N 0 1 400.563 3.766 50 0 biogenic HHAAMN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000012779240 568956507 /nfs/dbraw/zinc/95/65/07/568956507.db2.gz NUKAIIRCBMXOAP-MRXNPFEDSA-N 0 1 415.588 3.787 50 0 HHAAMN Cc1cccc(-c2n[nH]c(SCc3cc(=O)n4nc(CC(C)C)sc4n3)n2)c1 ZINC000015731853 568982161 /nfs/dbraw/zinc/98/21/61/568982161.db2.gz RJWFRQRKAUXLMN-UHFFFAOYSA-N 0 1 412.544 3.735 50 0 HHAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787277 569007686 /nfs/dbraw/zinc/00/76/86/569007686.db2.gz WOLMUUARFJXJGB-OAQYLSRUSA-N 0 1 413.949 3.855 50 0 HHAAMN COc1ccc(-c2nc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cs2)cc1OC ZINC000012824702 569007851 /nfs/dbraw/zinc/00/78/51/569007851.db2.gz NDJCJBYDOBDXPV-GOSISDBHSA-N 0 1 423.538 3.832 50 0 HHAAMN COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C ZINC000026121025 569017464 /nfs/dbraw/zinc/01/74/64/569017464.db2.gz BKMAZICNTKMXPD-UHFFFAOYSA-N 0 1 422.529 3.831 50 0 HHAAMN COc1cccc(-c2nc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cs2)c1OC ZINC000012937562 569027923 /nfs/dbraw/zinc/02/79/23/569027923.db2.gz PBVVBRICUPGODO-QGZVFWFLSA-N 0 1 423.538 3.832 50 0 HHAAMN Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c(C)c1 ZINC000035378048 569034321 /nfs/dbraw/zinc/03/43/21/569034321.db2.gz VBHHCVNDCIBTFZ-IMQCZEGASA-N 0 1 419.569 3.879 50 0 HHAAMN Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000090607878 569042120 /nfs/dbraw/zinc/04/21/20/569042120.db2.gz XIKUANPFMKJBNN-UHFFFAOYSA-N 0 1 414.872 3.722 50 0 HHAAMN O=C(NCCc1ccccc1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000035598044 569045750 /nfs/dbraw/zinc/04/57/50/569045750.db2.gz VYZGOJQCBMXQDD-UHFFFAOYSA-N 0 1 415.541 3.768 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccnc2Cl)n1 ZINC000006463749 569057780 /nfs/dbraw/zinc/05/77/80/569057780.db2.gz ZHMZXGGBBPNDCC-UHFFFAOYSA-N 0 1 410.286 3.913 50 0 HHAAMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccc2c(c1)COC2 ZINC000064489037 569064396 /nfs/dbraw/zinc/06/43/96/569064396.db2.gz VIPVFIWGEUVTDY-UHFFFAOYSA-N 0 1 418.471 3.971 50 0 HHAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)c1 ZINC000036098493 569090918 /nfs/dbraw/zinc/09/09/18/569090918.db2.gz CNFVLIZNGBSRQQ-IBGZPJMESA-N 0 1 401.503 3.602 50 0 HHAAMN CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146328 569098655 /nfs/dbraw/zinc/09/86/55/569098655.db2.gz LPXHQSOXPKUHHD-RTWAWAEBSA-N 0 1 420.912 3.872 50 0 HHAAMN CCCCN(CCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)Cc1ccco1 ZINC000006724370 569100164 /nfs/dbraw/zinc/10/01/64/569100164.db2.gz OXIUWFXEKKPHSD-UHFFFAOYSA-N 0 1 422.529 3.762 50 0 HHAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000006752770 569111403 /nfs/dbraw/zinc/11/14/03/569111403.db2.gz KEHWFWYALYTGSQ-HXOBKFHXSA-N 0 1 419.481 3.905 50 0 HHAAMN CC(C)CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)c1 ZINC000006753048 569111836 /nfs/dbraw/zinc/11/18/36/569111836.db2.gz GLTJPSGEANUSSZ-QHCPKHFHSA-N 0 1 421.497 3.745 50 0 HHAAMN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@H](C)O)CC2)c1 ZINC000036340579 569141729 /nfs/dbraw/zinc/14/17/29/569141729.db2.gz CQKKNCMBIQKOPG-FQEVSTJZSA-N 0 1 416.569 3.854 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036343589 569142401 /nfs/dbraw/zinc/14/24/01/569142401.db2.gz SSIIZLKBNNQIGH-VWLOTQADSA-N 0 1 418.585 3.927 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2)CC1 ZINC000036344283 569142514 /nfs/dbraw/zinc/14/25/14/569142514.db2.gz UODSEARDPMKNAY-DEOSSOPVSA-N 0 1 404.558 3.619 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2F)CC1 ZINC000036345467 569143182 /nfs/dbraw/zinc/14/31/82/569143182.db2.gz CIOABFLGNULQSL-DEOSSOPVSA-N 0 1 422.548 3.758 50 0 HHAAMN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NC1CCN(Cc2ccccc2)CC1 ZINC000006848662 569153685 /nfs/dbraw/zinc/15/36/85/569153685.db2.gz YCTGLNCQAMGKLK-UHFFFAOYSA-N 0 1 422.525 3.592 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccccc3SC)c(C)n2C)o1 ZINC000065186534 569192068 /nfs/dbraw/zinc/19/20/68/569192068.db2.gz WTOZHAWOTYLCSJ-UHFFFAOYSA-N 0 1 406.533 3.777 50 0 HHAAMN CCCn1cc(CN2CCN(c3cnn4c(c3)nnc4C3CC3)CC2)c2ccccc21 ZINC000065282637 569216400 /nfs/dbraw/zinc/21/64/00/569216400.db2.gz GGJWVWBTDPPORC-UHFFFAOYSA-N 0 1 415.545 3.689 50 0 HHAAMN Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000007126813 569224159 /nfs/dbraw/zinc/22/41/59/569224159.db2.gz ZDHPBWPTSVTNLV-IBGZPJMESA-N 0 1 405.893 3.648 50 0 HHAAMN O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccnc(-c2cncs2)n1 ZINC000170617487 569248100 /nfs/dbraw/zinc/24/81/00/569248100.db2.gz BYMGXCVUJRPPGQ-UHFFFAOYSA-N 0 1 400.407 3.561 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)N2CCCC2)cc1 ZINC000014238929 569259226 /nfs/dbraw/zinc/25/92/26/569259226.db2.gz VYDWZZAAXMRNGU-GOSISDBHSA-N 0 1 423.435 3.598 50 0 HHAAMN c1nc2nc(-c3ccccc3)cc(N3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)n2n1 ZINC000089851104 569267303 /nfs/dbraw/zinc/26/73/03/569267303.db2.gz ZEQZRFCVCSUTNJ-IBGZPJMESA-N 0 1 408.469 3.918 50 0 HHAAMN c1nc2nc(-c3ccccc3)cc(N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)n2n1 ZINC000089851104 569267304 /nfs/dbraw/zinc/26/73/04/569267304.db2.gz ZEQZRFCVCSUTNJ-IBGZPJMESA-N 0 1 408.469 3.918 50 0 HHAAMN Cc1ccc(C)c(NC(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1 ZINC000017026396 569271830 /nfs/dbraw/zinc/27/18/30/569271830.db2.gz IVJNCWSSJQFOJS-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN CN(C)CCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCCCC3 ZINC000002346995 569379297 /nfs/dbraw/zinc/37/92/97/569379297.db2.gz SOTCDSWGBGOOSJ-UHFFFAOYSA-N 0 1 417.962 3.698 50 0 HHAAMN COc1ccc(-c2n[nH]c(SCc3nc(N)nc(Nc4ccccc4C)n3)n2)cc1 ZINC000013070500 569408544 /nfs/dbraw/zinc/40/85/44/569408544.db2.gz QZEAHQYPQFLITK-UHFFFAOYSA-N 0 1 420.502 3.592 50 0 HHAAMN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000002454258 569409513 /nfs/dbraw/zinc/40/95/13/569409513.db2.gz GFFODZUIKWXLQE-HUUCEWRRSA-N 0 1 401.507 3.660 50 0 HHAAMN COc1cc(C(=O)NCCN2CCC(OC)CC2)cc(Cl)c1OCCC(C)C ZINC000079025104 569424698 /nfs/dbraw/zinc/42/46/98/569424698.db2.gz IJYFADYGRSLQOK-UHFFFAOYSA-N 0 1 412.958 3.614 50 0 HHAAMN COCc1n[nH]c(-c2ccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC000079474274 569431313 /nfs/dbraw/zinc/43/13/13/569431313.db2.gz HFWNJSYZKBBURZ-UHFFFAOYSA-N 0 1 406.364 3.698 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)COc1coc(CN2CCCCCC2)cc1=O ZINC000079489033 569432368 /nfs/dbraw/zinc/43/23/68/569432368.db2.gz DWUHZIKMNFZVGW-UHFFFAOYSA-N 0 1 420.893 3.695 50 0 HHAAMN Cc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000067284540 571063531 /nfs/dbraw/zinc/06/35/31/571063531.db2.gz SMQBTSIJMFNQOU-UHFFFAOYSA-N 0 1 404.518 3.744 50 0 HHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(C(C)C)c3)[n-]c(=O)c2C1 ZINC000067291884 571068330 /nfs/dbraw/zinc/06/83/30/571068330.db2.gz QNWIWNMLFAKTEE-UHFFFAOYSA-N 0 1 400.548 3.805 50 0 HHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c(C)n1C ZINC000008605014 571091459 /nfs/dbraw/zinc/09/14/59/571091459.db2.gz PXPAAYJFLJZHKQ-UHFFFAOYSA-N 0 1 421.538 3.906 50 0 HHAAMN CCOC(=O)c1cc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc2s1 ZINC000040082750 571156515 /nfs/dbraw/zinc/15/65/15/571156515.db2.gz JSLRIBLYPBNOGQ-UHFFFAOYSA-N 0 1 421.496 3.896 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)N2CC[C@H](Oc3cccc4cccnc43)C2)n[nH]1 ZINC000244969074 571210997 /nfs/dbraw/zinc/21/09/97/571210997.db2.gz GXEPQKCCCZISBR-KRWDZBQOSA-N 0 1 414.465 3.927 50 0 HHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000009173614 571234337 /nfs/dbraw/zinc/23/43/37/571234337.db2.gz XGAFYWCFQZBLJK-UHFFFAOYSA-N 0 1 404.488 3.552 50 0 HHAAMN CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccc(F)cc2)C3)c1C ZINC000069656381 571237021 /nfs/dbraw/zinc/23/70/21/571237021.db2.gz DTZQIUSELYXLQF-INIZCTEOSA-N 0 1 421.520 3.801 50 0 HHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000009336635 571249144 /nfs/dbraw/zinc/24/91/44/571249144.db2.gz OZWRATXRFZVAEH-GOSISDBHSA-N 0 1 407.524 3.926 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cncc(Br)c2)N2CCCCC2)cc1 ZINC000009516075 571265018 /nfs/dbraw/zinc/26/50/18/571265018.db2.gz VLJNMINLRJKKMY-LJQANCHMSA-N 0 1 418.335 3.810 50 0 HHAAMN CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 ZINC000070635156 571270430 /nfs/dbraw/zinc/27/04/30/571270430.db2.gz GGNPEDFMNITUKO-AWEZNQCLSA-N 0 1 418.500 3.879 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CC2)c1 ZINC000009646037 571276479 /nfs/dbraw/zinc/27/64/79/571276479.db2.gz RNWOUENLWGOVPS-GFCCVEGCSA-N 0 1 408.907 3.678 50 0 HHAAMN CCc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 ZINC000009684514 571279459 /nfs/dbraw/zinc/27/94/59/571279459.db2.gz JEEQBJHOJQNYBV-UHFFFAOYSA-N 0 1 403.548 3.929 50 0 HHAAMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cnc2ccccc2n1 ZINC000071846811 571303390 /nfs/dbraw/zinc/30/33/90/571303390.db2.gz LEKXCDMYYALJKI-UHFFFAOYSA-N 0 1 404.451 3.683 50 0 HHAAMN Cc1ccc2nc(C3CN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)C3)[nH]c2c1 ZINC000077099570 571310942 /nfs/dbraw/zinc/31/09/42/571310942.db2.gz DXKNAFBFRMOHBV-UHFFFAOYSA-N 0 1 411.405 3.558 50 0 HHAAMN O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)c1cccc2nccnc21 ZINC000012031059 962224948 /nfs/dbraw/zinc/22/49/48/962224948.db2.gz DBHOPMWKTJGMGY-XMMPIXPASA-N 0 1 424.504 3.996 50 0 HHAAMN CCN(Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000012306327 962268144 /nfs/dbraw/zinc/26/81/44/962268144.db2.gz ZCUMKJZEGNTIHV-QGZVFWFLSA-N 0 1 411.930 3.549 50 0 HHAAMN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000012434487 962279150 /nfs/dbraw/zinc/27/91/50/962279150.db2.gz VQZVDDPZASIRKT-OAQYLSRUSA-N 0 1 409.530 3.566 50 0 HHAAMN CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O ZINC000014740910 962566677 /nfs/dbraw/zinc/56/66/77/962566677.db2.gz GXFRDZKDZXAGPS-UHFFFAOYSA-N 0 1 420.557 3.579 50 0 HHAAMN Cc1cc(C(=O)NC[C@H](C)Oc2cccc(CN(C)Cc3cccs3)c2)n(C)n1 ZINC000014878627 962597347 /nfs/dbraw/zinc/59/73/47/962597347.db2.gz SVMLTTAWKKPLMG-KRWDZBQOSA-N 0 1 412.559 3.619 50 0 HHAAMN O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000015064326 962645174 /nfs/dbraw/zinc/64/51/74/962645174.db2.gz LRZLDWQQLNGPAR-HSZRJFAPSA-N 0 1 421.520 3.617 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)/C=C\c1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000096943708 969059495 /nfs/dbraw/zinc/05/94/95/969059495.db2.gz SQSGALJBOWSLFV-DSTYWPJMSA-N 0 1 416.525 3.847 50 0 HHAAMN O=[N+]([O-])c1cc(C=Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)ccc1Cl ZINC000254752644 970578544 /nfs/dbraw/zinc/57/85/44/970578544.db2.gz LVVUJKJENVCOBE-UHFFFAOYSA-N 0 1 423.878 3.879 50 0 HHAAMN CCc1ccc(-c2cc(C(=O)N3CC(F)(F)C[C@H]3COc3cccnc3)n[nH]2)cc1 ZINC000257175541 970616415 /nfs/dbraw/zinc/61/64/15/970616415.db2.gz PNLKGPYEDZNOMN-KRWDZBQOSA-N 0 1 412.440 3.963 50 0 HHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000004711661 132285094 /nfs/dbraw/zinc/28/50/94/132285094.db2.gz PTVAZSWXZJPZEY-UHFFFAOYSA-N 0 1 415.921 3.829 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCc3cccs3)cc12 ZINC000004908007 132293059 /nfs/dbraw/zinc/29/30/59/132293059.db2.gz OOAYGBZBQZEBNW-UHFFFAOYSA-N 0 1 411.600 3.843 50 0 HHAAMN Cc1[nH]c2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc2c1C ZINC000006902294 132320322 /nfs/dbraw/zinc/32/03/22/132320322.db2.gz TZRVTZGKTLRTQC-UHFFFAOYSA-N 0 1 408.521 3.866 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000009620671 132341781 /nfs/dbraw/zinc/34/17/81/132341781.db2.gz GKTZMUPQADHMBO-UHFFFAOYSA-N 0 1 415.541 3.891 50 0 HHAAMN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000012545048 132362771 /nfs/dbraw/zinc/36/27/71/132362771.db2.gz SGJYHEXNXFOGIE-UHFFFAOYSA-N 0 1 411.594 3.787 50 0 HHAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C)cc3)c(Br)cc2C[C@@H]1C ZINC000040450724 519638764 /nfs/dbraw/zinc/63/87/64/519638764.db2.gz XTMVRXKERYMHQJ-LBPRGKRZSA-N 0 1 423.332 3.856 50 0 HHAAMN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560300 520508540 /nfs/dbraw/zinc/50/85/40/520508540.db2.gz LCXOXZIDTMJDEH-JOCHJYFZSA-N 0 1 407.514 3.688 50 0 HHAAMN CCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)cc1C ZINC000043954303 521198954 /nfs/dbraw/zinc/19/89/54/521198954.db2.gz BXROFBZQBWVZBX-UHFFFAOYSA-N 0 1 420.575 3.794 50 0 HHAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 ZINC000040287271 521869129 /nfs/dbraw/zinc/86/91/29/521869129.db2.gz JQQJGEKMEVXYFK-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN Cc1ccccc1C(=O)Nc1nc(C(=O)N2CCN(C3CCCCC3)CC2)cs1 ZINC000040355420 525065190 /nfs/dbraw/zinc/06/51/90/525065190.db2.gz XTLLUHXJHJLVSD-UHFFFAOYSA-N 0 1 412.559 3.794 50 0 HHAAMN CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000009620391 535520675 /nfs/dbraw/zinc/52/06/75/535520675.db2.gz FNIZLTLYKSLJQD-UHFFFAOYSA-N 0 1 401.514 3.846 50 0 HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)n1 ZINC000000917639 557117784 /nfs/dbraw/zinc/11/77/84/557117784.db2.gz LSJWEVQFMYXHBX-UHFFFAOYSA-N 0 1 410.499 3.547 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCC(F)(F)F ZINC000001189105 557235571 /nfs/dbraw/zinc/23/55/71/557235571.db2.gz SSAXTTOUPTXUBY-SFHVURJKSA-N 0 1 420.387 3.999 50 0 HHAAMN CCOC(=O)C1C(CN2CCc3ccccc32)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001422134 557260844 /nfs/dbraw/zinc/26/08/44/557260844.db2.gz OFFZKTJNQXZMNU-HXUWFJFHSA-N 0 1 411.889 3.574 50 0 aggregator HHAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1ccc(F)cc1 ZINC000034685307 557388244 /nfs/dbraw/zinc/38/82/44/557388244.db2.gz HBWXKENBLVZCFZ-UHFFFAOYSA-N 0 1 417.528 3.849 50 0 HHAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)C3CC3)c(C)nn2-c2ccccc2)CC1 ZINC000034814891 557465649 /nfs/dbraw/zinc/46/56/49/557465649.db2.gz JVMAIQMNQAAJSH-UHFFFAOYSA-N 0 1 423.605 3.717 50 0 HHAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004145247 557519854 /nfs/dbraw/zinc/51/98/54/557519854.db2.gz WDBMZJOPGFWNLS-GOSISDBHSA-N 0 1 418.534 3.805 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C1C(=O)OCCOC(C)C ZINC000004156643 557521251 /nfs/dbraw/zinc/52/12/51/557521251.db2.gz LIGHBPSQVLWRNY-QFIPXVFZSA-N 0 1 424.497 3.862 50 0 HHAAMN O=C([O-])c1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004324338 557541678 /nfs/dbraw/zinc/54/16/78/557541678.db2.gz PGUCUVQQVZYPJB-UHFFFAOYSA-N 0 1 400.478 3.932 50 0 HHAAMN N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1c1ccccc1 ZINC000004664590 557578329 /nfs/dbraw/zinc/57/83/29/557578329.db2.gz QOWFAWITESPICY-AWEZNQCLSA-N 0 1 404.289 3.861 50 0 HHAAMN O=S(=O)(c1ccccc1)N(C[C@@H](O)CN1CCCCC1)c1cccc2ccccc21 ZINC000005022567 557626807 /nfs/dbraw/zinc/62/68/07/557626807.db2.gz WTZFAWWTWNWLNK-NRFANRHFSA-N 0 1 424.566 3.882 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)n1 ZINC000005497418 557657943 /nfs/dbraw/zinc/65/79/43/557657943.db2.gz JJYSAJDAAKYLAQ-UHFFFAOYSA-N 0 1 413.528 3.703 50 0 HHAAMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000006287979 557698253 /nfs/dbraw/zinc/69/82/53/557698253.db2.gz XUGYMPMBGBMABQ-UHFFFAOYSA-N 0 1 423.369 3.872 50 0 HHAAMN CCn1c(C)cc(O)c([C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000022696826 557783551 /nfs/dbraw/zinc/78/35/51/557783551.db2.gz KALQWBMBERBVTE-XMMPIXPASA-N 0 1 403.526 3.794 50 0 HHAAMN CN1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2Cl)CC1 ZINC000019796762 558284499 /nfs/dbraw/zinc/28/44/99/558284499.db2.gz YVBQYMYNFVJQBD-NRFANRHFSA-N 0 1 424.932 3.714 50 0 HHAAMN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN(C)C[C@H](O)c1ccccc1 ZINC000019798903 558285160 /nfs/dbraw/zinc/28/51/60/558285160.db2.gz YWEUUPIJJXPPGJ-QFIPXVFZSA-N 0 1 420.557 3.824 50 0 HHAAMN O=C(c1nc2ccccn2c1CNCc1cc2cc(Cl)ccc2[nH]1)N1CCCC1 ZINC000019838114 558293399 /nfs/dbraw/zinc/29/33/99/558293399.db2.gz UKTZWYAOLAPYOR-UHFFFAOYSA-N 0 1 407.905 3.995 50 0 HHAAMN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cn(CC)nc2C)C1 ZINC000011879387 558293999 /nfs/dbraw/zinc/29/39/99/558293999.db2.gz KFAFOGSDCSNULQ-QFIPXVFZSA-N 0 1 405.489 3.878 50 0 HHAAMN CCOc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1 ZINC000019841417 558294182 /nfs/dbraw/zinc/29/41/82/558294182.db2.gz BTFJEQVQNXNDFY-NRFANRHFSA-N 0 1 400.588 3.876 50 0 HHAAMN COc1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 ZINC000011934117 558298720 /nfs/dbraw/zinc/29/87/20/558298720.db2.gz ZAGAYOJZYQAPMC-JOCHJYFZSA-N 0 1 403.906 3.895 50 0 HHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccccc1OC ZINC000012073676 558318631 /nfs/dbraw/zinc/31/86/31/558318631.db2.gz BDPJWZBCHYAYKD-UHFFFAOYSA-N 0 1 414.521 3.835 50 0 HHAAMN O=C1C[C@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000020189479 558344343 /nfs/dbraw/zinc/34/43/43/558344343.db2.gz XBRSNWHJKFZNMO-HNNXBMFYSA-N 0 1 415.223 3.930 50 0 HHAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(O)cc3)C2)cc1 ZINC000012191659 558347970 /nfs/dbraw/zinc/34/79/70/558347970.db2.gz HIHGFTWCABWDHJ-RTWAWAEBSA-N 0 1 400.544 3.661 50 0 HHAAMN O[C@@H](COc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020294432 558354213 /nfs/dbraw/zinc/35/42/13/558354213.db2.gz MIEQTGGXHMZWBB-XMMPIXPASA-N 0 1 402.538 3.834 50 0 HHAAMN COc1ccc(F)c(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294593 558354562 /nfs/dbraw/zinc/35/45/62/558354562.db2.gz JGUCXMRYILQGSW-HXUWFJFHSA-N 0 1 413.537 3.630 50 0 HHAAMN CC1(C)C[C@@H](NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CCO1 ZINC000012319118 558381680 /nfs/dbraw/zinc/38/16/80/558381680.db2.gz YWAVZMYEUHMVHK-FQEVSTJZSA-N 0 1 423.557 3.812 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000020723772 558403913 /nfs/dbraw/zinc/40/39/13/558403913.db2.gz PHGTWDUXLZVLFT-CQSZACIVSA-N 0 1 402.241 3.774 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F ZINC000020744533 558409219 /nfs/dbraw/zinc/40/92/19/558409219.db2.gz MLHUTIHWXAJSCF-LJQANCHMSA-N 0 1 412.396 3.654 50 0 HHAAMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000021890184 558454246 /nfs/dbraw/zinc/45/42/46/558454246.db2.gz MYKLWHQSFVALME-UHFFFAOYSA-N 0 1 413.465 3.648 50 0 HHAAMN OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CCN1CCc1ccccc1 ZINC000022932729 558524922 /nfs/dbraw/zinc/52/49/22/558524922.db2.gz HWASPSPGVHLQBT-JOCHJYFZSA-N 0 1 407.583 3.921 50 0 HHAAMN COc1ccc(OC)c(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1 ZINC000023283390 558547516 /nfs/dbraw/zinc/54/75/16/558547516.db2.gz REFHONVCEVSLPT-UHFFFAOYSA-N 0 1 406.320 3.950 50 0 HHAAMN O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)N1 ZINC000014011271 558613581 /nfs/dbraw/zinc/61/35/81/558613581.db2.gz TYDQYRUAHAVNGH-ZSOIEALJSA-N 0 1 407.651 3.862 50 0 HHAAMN CCOC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000014094524 558619436 /nfs/dbraw/zinc/61/94/36/558619436.db2.gz XMOPAPDNZLLJKW-NRFANRHFSA-N 0 1 411.502 3.831 50 0 HHAAMN C[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(Br)cc1 ZINC000025050111 558628501 /nfs/dbraw/zinc/62/85/01/558628501.db2.gz NGECBCXJZATONZ-NSHDSACASA-N 0 1 418.316 3.699 50 0 HHAAMN CC(C)c1n[nH]c(SCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)n1 ZINC000014245870 558646848 /nfs/dbraw/zinc/64/68/48/558646848.db2.gz MIPRIYNFJRSZMY-UHFFFAOYSA-N 0 1 409.559 3.518 50 0 HHAAMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000027332199 558671983 /nfs/dbraw/zinc/67/19/83/558671983.db2.gz QHUQIOVYEKPCHX-SFHVURJKSA-N 0 1 424.526 3.945 50 0 HHAAMN Cc1nonc1CNC1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000014982030 558692243 /nfs/dbraw/zinc/69/22/43/558692243.db2.gz QGIUHNBAXNMMPL-QGZVFWFLSA-N 0 1 419.529 3.628 50 0 HHAAMN CCCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000028287522 558694800 /nfs/dbraw/zinc/69/48/00/558694800.db2.gz KOYPFIWBSNEQBX-OAQYLSRUSA-N 0 1 415.965 3.847 50 0 HHAAMN O=C1CCN(Cc2cccc(OCc3ccccc3)c2)CCN1Cc1cccnc1 ZINC000015003228 558698352 /nfs/dbraw/zinc/69/83/52/558698352.db2.gz AUAKVLHLYQCUHM-UHFFFAOYSA-N 0 1 401.510 3.895 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sc(-c3cccs3)nc2C)c1 ZINC000028813556 558704967 /nfs/dbraw/zinc/70/49/67/558704967.db2.gz LVCQCNWMVUSADM-UHFFFAOYSA-N 0 1 408.526 3.932 50 0 HHAAMN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000015066523 558709364 /nfs/dbraw/zinc/70/93/64/558709364.db2.gz BFXCWPCAOILHAS-XMMPIXPASA-N 0 1 405.498 3.900 50 0 HHAAMN CN(CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCc2ccccc21 ZINC000029489094 558715743 /nfs/dbraw/zinc/71/57/43/558715743.db2.gz AIVOITKOGGOEDC-KRWDZBQOSA-N 0 1 417.303 3.778 50 0 HHAAMN O=c1c2ccccc2c(-c2ccccc2)nn1CN1CCN(CCc2ccccc2)CC1 ZINC000029501009 558716019 /nfs/dbraw/zinc/71/60/19/558716019.db2.gz KNAISIRJYMJRBO-UHFFFAOYSA-N 0 1 424.548 3.881 50 0 HHAAMN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(C)[C@H](c2ccccc2)C1 ZINC000039413221 558821174 /nfs/dbraw/zinc/82/11/74/558821174.db2.gz OUKOGGNFXGTROH-NRFANRHFSA-N 0 1 419.573 3.695 50 0 HHAAMN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)o1 ZINC000033071318 558866628 /nfs/dbraw/zinc/86/66/28/558866628.db2.gz ZRRYKJFFCVENOH-ZDUSSCGKSA-N 0 1 417.307 3.760 50 0 HHAAMN CN(Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000055037036 558870199 /nfs/dbraw/zinc/87/01/99/558870199.db2.gz VFJPAXOOIZRONW-UHFFFAOYSA-N 0 1 419.569 3.809 50 0 HHAAMN CC[C@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 ZINC000055343262 558879682 /nfs/dbraw/zinc/87/96/82/558879682.db2.gz BHTFDWAMVUJYQX-FQEVSTJZSA-N 0 1 407.514 3.666 50 0 HHAAMN Cc1c(C(=O)Nc2ccccc2Cl)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048272 558885141 /nfs/dbraw/zinc/88/51/41/558885141.db2.gz KQFLBRUOLWDLLW-UHFFFAOYSA-N 0 1 401.923 3.657 50 0 HHAAMN O=S(=O)(NCc1ccc(Oc2ccc(F)cc2)nc1)c1c(F)cc(F)cc1F ZINC000060505702 558896261 /nfs/dbraw/zinc/89/62/61/558896261.db2.gz XSKGLYHKNFPMIV-UHFFFAOYSA-N 0 1 412.364 3.909 50 0 HHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1Cl ZINC000033171184 558899997 /nfs/dbraw/zinc/89/99/97/558899997.db2.gz GEJQBRULNFQKOZ-UHFFFAOYSA-N 0 1 422.846 3.705 50 0 HHAAMN FC(F)(F)c1nc2ccccc2c(N2CCN(CCOc3ccccc3)CC2)n1 ZINC000058176691 558909656 /nfs/dbraw/zinc/90/96/56/558909656.db2.gz BZAJHQORJKQNDF-UHFFFAOYSA-N 0 1 402.420 3.850 50 0 HHAAMN CC[N@H+](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(C)C ZINC000058370273 558922620 /nfs/dbraw/zinc/92/26/20/558922620.db2.gz NSARFDHOXIUOOK-UHFFFAOYSA-N 0 1 423.966 3.601 50 0 HHAAMN CC[N@@H+](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(C)C ZINC000058370273 558922624 /nfs/dbraw/zinc/92/26/24/558922624.db2.gz NSARFDHOXIUOOK-UHFFFAOYSA-N 0 1 423.966 3.601 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000072119356 558927960 /nfs/dbraw/zinc/92/79/60/558927960.db2.gz CTRPJSJBRCILHT-UHFFFAOYSA-N 0 1 417.916 3.530 50 0 HHAAMN Cc1ccc(Cc2nc(CCNC(=O)Nc3ccccc3Br)n[nH]2)cc1 ZINC000033062557 558956062 /nfs/dbraw/zinc/95/60/62/558956062.db2.gz GHEVJKGKBJBFIF-UHFFFAOYSA-N 0 1 414.307 3.831 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc(N2CCCCC2)n1 ZINC000064800386 558966011 /nfs/dbraw/zinc/96/60/11/558966011.db2.gz DGIOFKFOGLWFGS-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nc(N2CCCCC2)n1 ZINC000065363484 558974549 /nfs/dbraw/zinc/97/45/49/558974549.db2.gz ZCLQYBSXWPRYLC-UHFFFAOYSA-N 0 1 412.513 3.577 50 0 HHAAMN COc1ccc(OC)c(-c2nc3cc4c(cc3cc2CN2CCCOCC2)OCO4)c1 ZINC000072473167 558983534 /nfs/dbraw/zinc/98/35/34/558983534.db2.gz VOYWPUJHJPUWJK-UHFFFAOYSA-N 0 1 422.481 3.870 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc(N2CCCC2)n1 ZINC000067629611 558990310 /nfs/dbraw/zinc/99/03/10/558990310.db2.gz GTZWOZHHMFHIDF-UHFFFAOYSA-N 0 1 416.529 3.893 50 0 HHAAMN O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000067629921 558990334 /nfs/dbraw/zinc/99/03/34/558990334.db2.gz SBBOVEDJVLLPGL-UHFFFAOYSA-N 0 1 416.934 3.980 50 0 HHAAMN O=C(CCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1)NC1CC1 ZINC000067743063 558992230 /nfs/dbraw/zinc/99/22/30/558992230.db2.gz XVONTZMVQWXXDE-UHFFFAOYSA-N 0 1 401.510 3.882 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C(C)C)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000033278760 559042332 /nfs/dbraw/zinc/04/23/32/559042332.db2.gz UQAPXLUHWFUBAO-UHFFFAOYSA-N 0 1 415.921 3.909 50 0 HHAAMN COCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(C)cc1 ZINC000004927778 559208215 /nfs/dbraw/zinc/20/82/15/559208215.db2.gz DEFNEMHULCBXPE-UHFFFAOYSA-N 0 1 411.527 3.915 50 0 HHAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@H]3CC)c21 ZINC000005093306 559244118 /nfs/dbraw/zinc/24/41/18/559244118.db2.gz RLRWJSBKYYIQDT-MRXNPFEDSA-N 0 1 415.534 3.875 50 0 HHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)c(OC)c1 ZINC000005126762 559248777 /nfs/dbraw/zinc/24/87/77/559248777.db2.gz OBXVHFLOPYPFJS-UHFFFAOYSA-N 0 1 416.293 3.666 50 0 HHAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 ZINC000005164248 559275789 /nfs/dbraw/zinc/27/57/89/559275789.db2.gz ZVKBSENSURYYII-QTJGBDASSA-N 0 1 400.563 3.812 50 0 HHAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000143607412 560542853 /nfs/dbraw/zinc/54/28/53/560542853.db2.gz DVRPZJPCGJGFTH-BHDDXSALSA-N 0 1 418.424 3.885 50 0 HHAAMN Cc1[nH]c(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nc1Cc1ccccc1 ZINC000005312639 560564249 /nfs/dbraw/zinc/56/42/49/560564249.db2.gz STZBHZRFMOCTRD-PBHICJAKSA-N 0 1 400.548 3.806 50 0 HHAAMN Cc1[nH]c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nc1Cc1ccccc1 ZINC000005312633 560564251 /nfs/dbraw/zinc/56/42/51/560564251.db2.gz STZBHZRFMOCTRD-WMLDXEAASA-N 0 1 400.548 3.806 50 0 HHAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)cc1 ZINC000005343776 560566693 /nfs/dbraw/zinc/56/66/93/560566693.db2.gz GXGQMSGPISTAFK-HXUWFJFHSA-N 0 1 409.511 3.659 50 0 HHAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000005343383 560568067 /nfs/dbraw/zinc/56/80/67/560568067.db2.gz CBUCGOGCRMCUCJ-AOMKIAJQSA-N 0 1 405.454 3.515 50 0 HHAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000017783771 560728243 /nfs/dbraw/zinc/72/82/43/560728243.db2.gz KERNKEUSBXMSQX-BDTNDASRSA-N 0 1 400.434 3.746 50 0 HHAAMN COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3N(c3ccccc3)N2)cc1 ZINC000018119288 560776841 /nfs/dbraw/zinc/77/68/41/560776841.db2.gz VMSPJWIOVOTBEH-IFMALSPDSA-N 0 1 415.424 3.617 50 0 HHAAMN O=c1c(=O)c(-c2ccc3c(c2)CCCC3)c1NC1CCN(Cc2ccccc2)CC1 ZINC000102136179 560808147 /nfs/dbraw/zinc/80/81/47/560808147.db2.gz QKVADZOEANYIIM-UHFFFAOYSA-N 0 1 400.522 3.905 50 0 HHAAMN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102734384 560822771 /nfs/dbraw/zinc/82/27/71/560822771.db2.gz ODAQEXPEXRLXOF-YPAWHYETSA-N 0 1 400.434 3.746 50 0 HHAAMN COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318339 560858756 /nfs/dbraw/zinc/85/87/56/560858756.db2.gz BZQAOKDKOIFBGQ-HSZRJFAPSA-N 0 1 417.509 3.565 50 0 HHAAMN CC(C)COC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984308 560858953 /nfs/dbraw/zinc/85/89/53/560858953.db2.gz SUEWZKUMSAHMSS-DHIUTWEWSA-N 0 1 414.521 3.854 50 0 HHAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000048366789 568441970 /nfs/dbraw/zinc/44/19/70/568441970.db2.gz MRGTYTIYASZVCQ-UHFFFAOYSA-N 0 1 406.467 3.649 50 0 HHAAMN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)N4CCN(C(C)C)CC4)C3)nn2)cc1C ZINC000048990550 568444278 /nfs/dbraw/zinc/44/42/78/568444278.db2.gz HEABEBKFEMRMHT-QFIPXVFZSA-N 0 1 421.589 3.529 50 0 HHAAMN CCCN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O ZINC000215040303 568459443 /nfs/dbraw/zinc/45/94/43/568459443.db2.gz BUAMXSJNZNWPCL-UHFFFAOYSA-N 0 1 407.314 3.957 50 0 HHAAMN CCN(CC)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O ZINC000215510903 568461060 /nfs/dbraw/zinc/46/10/60/568461060.db2.gz RLFPRSXLLDJIHO-UHFFFAOYSA-N 0 1 407.314 3.957 50 0 HHAAMN CSc1ccc(CN(C)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012328356 568472067 /nfs/dbraw/zinc/47/20/67/568472067.db2.gz FMXDDIVMBJCQBG-LJQANCHMSA-N 0 1 411.571 3.718 50 0 HHAAMN O=C(CCc1ccc2c(c1)OCO2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000024616910 568512379 /nfs/dbraw/zinc/51/23/79/568512379.db2.gz JCKWGZHNLXNPJN-UHFFFAOYSA-N 0 1 402.494 3.846 50 0 HHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000020153763 568590848 /nfs/dbraw/zinc/59/08/48/568590848.db2.gz GOODFGGXVXZAFS-IRXDYDNUSA-N 0 1 411.619 3.970 50 0 HHAAMN CC1(C)CN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000095351029 568601019 /nfs/dbraw/zinc/60/10/19/568601019.db2.gz IFAISOYGAXAWRV-UHFFFAOYSA-N 0 1 413.949 3.583 50 0 HHAAMN CN1CCN(C[C@@H](NC(=O)NCc2ccc3ccccc3c2)c2ccccc2)CC1 ZINC000095351223 568601102 /nfs/dbraw/zinc/60/11/02/568601102.db2.gz QWLMIMULPNMNTR-XMMPIXPASA-N 0 1 402.542 3.628 50 0 HHAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c1 ZINC000020990244 568655790 /nfs/dbraw/zinc/65/57/90/568655790.db2.gz OOQQAYJHTXWZMF-UHFFFAOYSA-N 0 1 414.483 3.813 50 0 HHAAMN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n[nH]c1-2 ZINC000021018343 568657938 /nfs/dbraw/zinc/65/79/38/568657938.db2.gz SOMFLFBBEJUWOO-UHFFFAOYSA-N 0 1 422.916 3.800 50 0 HHAAMN O=C(CN1CCC[C@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000225674774 568662970 /nfs/dbraw/zinc/66/29/70/568662970.db2.gz MGJIIOPJSSOTGX-HXUWFJFHSA-N 0 1 408.420 3.897 50 0 HHAAMN COc1ccc(-c2nc(C)c(C(=O)Nc3nc(CC(C)C)n[nH]3)s2)cc1OC ZINC000096117987 568697631 /nfs/dbraw/zinc/69/76/31/568697631.db2.gz WJLCPXBTEBQOEL-UHFFFAOYSA-N 0 1 401.492 3.705 50 0 HHAAMN COc1ccc(-c2nc(C)c(C(=O)Nc3n[nH]c(CC(C)C)n3)s2)cc1OC ZINC000096117987 568697632 /nfs/dbraw/zinc/69/76/32/568697632.db2.gz WJLCPXBTEBQOEL-UHFFFAOYSA-N 0 1 401.492 3.705 50 0 HHAAMN Cc1noc(-c2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c(C)s2)c1C ZINC000096323556 568732185 /nfs/dbraw/zinc/73/21/85/568732185.db2.gz QVJNLFVYGGUBNT-UHFFFAOYSA-N 0 1 406.485 3.900 50 0 HHAAMN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1C ZINC000096324586 568734001 /nfs/dbraw/zinc/73/40/01/568734001.db2.gz APBSUULKUISSQJ-UHFFFAOYSA-N 0 1 403.486 3.579 50 0 HHAAMN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324652 568734004 /nfs/dbraw/zinc/73/40/04/568734004.db2.gz UNIZJQFWMMJLRB-UHFFFAOYSA-N 0 1 409.877 3.616 50 0 HHAAMN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1Cl ZINC000096324583 568734008 /nfs/dbraw/zinc/73/40/08/568734008.db2.gz CMMKWDVZFSQZOT-UHFFFAOYSA-N 0 1 423.904 3.924 50 0 HHAAMN CSc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324592 568734027 /nfs/dbraw/zinc/73/40/27/568734027.db2.gz GGRTYHROROZHIF-UHFFFAOYSA-N 0 1 421.526 3.685 50 0 HHAAMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)cc1 ZINC000096379462 568741066 /nfs/dbraw/zinc/74/10/66/568741066.db2.gz LWSTXQNLOKGENZ-UHFFFAOYSA-N 0 1 400.460 3.562 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379687 568741452 /nfs/dbraw/zinc/74/14/52/568741452.db2.gz SHAKANGHSMTRCU-UHFFFAOYSA-N 0 1 402.476 3.758 50 0 HHAAMN Cc1ccc(CNC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000002624043 568788655 /nfs/dbraw/zinc/78/86/55/568788655.db2.gz PJSCZVNZIUBUIW-UHFFFAOYSA-N 0 1 417.332 3.951 50 0 HHAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(SC)sc3c2)cc1 ZINC000002651717 568796430 /nfs/dbraw/zinc/79/64/30/568796430.db2.gz JHZPXHQMJPHSNG-UHFFFAOYSA-N 0 1 408.526 3.996 50 0 HHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000002663074 568799465 /nfs/dbraw/zinc/79/94/65/568799465.db2.gz YWKAFVMFLNCMLA-UHFFFAOYSA-N 0 1 417.874 3.880 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000006016680 568835364 /nfs/dbraw/zinc/83/53/64/568835364.db2.gz RORLEALCOCEMGZ-UHFFFAOYSA-N 0 1 422.466 3.625 50 0 HHAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCc1ccccn1 ZINC000012536308 568845856 /nfs/dbraw/zinc/84/58/56/568845856.db2.gz OMELVKRLZKARND-UHFFFAOYSA-N 0 1 400.431 3.687 50 0 HHAAMN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000230154818 568853055 /nfs/dbraw/zinc/85/30/55/568853055.db2.gz VZUKITQPOHGDGQ-CCKFTAQKSA-N 0 1 407.297 3.909 50 0 HHAAMN Cc1ccc2nc(S[C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)[nH]c2c1 ZINC000012577886 568862977 /nfs/dbraw/zinc/86/29/77/568862977.db2.gz LNGACAMARJPHBS-JTQLQIEISA-N 0 1 422.432 3.524 50 0 HHAAMN O=C1c2ccccc2C(=O)N1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000003280162 568871525 /nfs/dbraw/zinc/87/15/25/568871525.db2.gz NWDWCSODFGFQAU-UHFFFAOYSA-N 0 1 415.272 3.580 50 0 HHAAMN COc1ccc(OC)c2nc(N3CCCC3)c(CNCc3ccc4c(c3)OCO4)cc12 ZINC000299794559 568876000 /nfs/dbraw/zinc/87/60/00/568876000.db2.gz KMILGNYUNILVLW-UHFFFAOYSA-N 0 1 421.497 3.871 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CC2CCCC2)c1 ZINC000012630278 568883487 /nfs/dbraw/zinc/88/34/87/568883487.db2.gz ASLVUOCSPANEDV-UHFFFAOYSA-N 0 1 404.488 3.720 50 0 HHAAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012685727 568908260 /nfs/dbraw/zinc/90/82/60/568908260.db2.gz LCUVFCPQHPVPGW-UHFFFAOYSA-N 0 1 413.826 3.563 50 0 HHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(C(C)C)cc1)SCC(=O)N2 ZINC000031807840 568931629 /nfs/dbraw/zinc/93/16/29/568931629.db2.gz PPLFTSXDGKUYPG-GOSISDBHSA-N 0 1 419.514 3.745 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000007988564 568966025 /nfs/dbraw/zinc/96/60/25/568966025.db2.gz PIJNFCLAWRLNIZ-UHFFFAOYSA-N 0 1 408.907 3.822 50 0 HHAAMN C[C@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008185775 568980347 /nfs/dbraw/zinc/98/03/47/568980347.db2.gz VMSDJIMEUYVKAN-HOTGVXAUSA-N 0 1 421.588 3.601 50 0 HHAAMN CCCNC(=O)[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccccc1OC ZINC000008345232 568994494 /nfs/dbraw/zinc/99/44/94/568994494.db2.gz CBRFLRIXUHMFMN-GOSISDBHSA-N 0 1 406.530 3.611 50 0 HHAAMN Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)no1 ZINC000008367122 568995472 /nfs/dbraw/zinc/99/54/72/568995472.db2.gz IKYQKYHUOIBJGQ-SFHVURJKSA-N 0 1 408.527 3.675 50 0 HHAAMN COc1ccc(-c2nc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cs2)cc1OC ZINC000012824704 569007842 /nfs/dbraw/zinc/00/78/42/569007842.db2.gz NDJCJBYDOBDXPV-SFHVURJKSA-N 0 1 423.538 3.832 50 0 HHAAMN CC(C)OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982653 569009861 /nfs/dbraw/zinc/00/98/61/569009861.db2.gz KWSJNFCNEDZEJS-WOJBJXKFSA-N 0 1 400.494 3.607 50 0 HHAAMN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCCN3CCC(C)CC3)c2)on1 ZINC000015942719 569024248 /nfs/dbraw/zinc/02/42/48/569024248.db2.gz OBWGHKSNDBPETJ-UHFFFAOYSA-N 0 1 405.564 3.784 50 0 HHAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(F)cc1)=N2 ZINC000035372478 569033854 /nfs/dbraw/zinc/03/38/54/569033854.db2.gz BONHIBFAIUJTMA-UHFFFAOYSA-N 0 1 410.518 3.821 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)n[nH]1 ZINC000575620149 569038805 /nfs/dbraw/zinc/03/88/05/569038805.db2.gz RBSHCOUPDATLMK-FQEVSTJZSA-N 0 1 413.481 3.607 50 0 HHAAMN COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1Cl ZINC000090607762 569042068 /nfs/dbraw/zinc/04/20/68/569042068.db2.gz GHATXNHSPXRFOP-UHFFFAOYSA-N 0 1 409.826 3.871 50 0 HHAAMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc(F)c(F)c1 ZINC000035598029 569045796 /nfs/dbraw/zinc/04/57/96/569045796.db2.gz OEAJXWRXOFCQLU-UHFFFAOYSA-N 0 1 408.452 3.934 50 0 HHAAMN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)[nH]n2)N1 ZINC000006395063 569046605 /nfs/dbraw/zinc/04/66/05/569046605.db2.gz QYVGPGYQEIVMHL-AWEZNQCLSA-N 0 1 407.179 3.856 50 0 HHAAMN CC[C@@H]1CN(CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000244691799 569055141 /nfs/dbraw/zinc/05/51/41/569055141.db2.gz JJNMIPRSAJXCLP-MJGOQNOKSA-N 0 1 415.559 3.879 50 0 HHAAMN CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc21 ZINC000001926329 569059695 /nfs/dbraw/zinc/05/96/95/569059695.db2.gz HTRSNDACXJJYTB-UHFFFAOYSA-N 0 1 419.455 3.736 50 0 HHAAMN CCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O ZINC000035829507 569061833 /nfs/dbraw/zinc/06/18/33/569061833.db2.gz SZZHVHYLNGMOJL-ODLFYWEKSA-N 0 1 424.407 3.511 50 0 HHAAMN COc1cc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)ccc1O ZINC000064450214 569062776 /nfs/dbraw/zinc/06/27/76/569062776.db2.gz PFTIEWAENQBMTJ-MRXNPFEDSA-N 0 1 405.454 3.820 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)cc1 ZINC000079014689 569064351 /nfs/dbraw/zinc/06/43/51/569064351.db2.gz NGNBXUKDCLJGEP-UHFFFAOYSA-N 0 1 419.684 3.567 50 0 HHAAMN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)c(C)o1 ZINC000089580235 569070696 /nfs/dbraw/zinc/07/06/96/569070696.db2.gz WYLHQSLEAOLRRT-UHFFFAOYSA-N 0 1 417.416 3.700 50 0 HHAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OC)c1 ZINC000006744914 569107550 /nfs/dbraw/zinc/10/75/50/569107550.db2.gz JAQQRQFTRYOGDH-JOCHJYFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)ccc21 ZINC000064861827 569110480 /nfs/dbraw/zinc/11/04/80/569110480.db2.gz LFRYHOWHVMHUCP-UHFFFAOYSA-N 0 1 423.922 3.632 50 0 HHAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006752934 569111626 /nfs/dbraw/zinc/11/16/26/569111626.db2.gz IIYQENYFGUAPHW-NRFANRHFSA-N 0 1 423.469 3.763 50 0 HHAAMN CCCCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCO)c1 ZINC000006753204 569111736 /nfs/dbraw/zinc/11/17/36/569111736.db2.gz JMUKXABDWKUGBJ-QHCPKHFHSA-N 0 1 421.497 3.807 50 0 HHAAMN O=S(=O)(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000064969537 569138139 /nfs/dbraw/zinc/13/81/39/569138139.db2.gz RZVBTPYGZRKGSU-UHFFFAOYSA-N 0 1 416.934 3.525 50 0 HHAAMN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CCCC2)cc1 ZINC000036344022 569142541 /nfs/dbraw/zinc/14/25/41/569142541.db2.gz CNGKKYQIACHCLB-QHCPKHFHSA-N 0 1 407.514 3.867 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2C)CC1 ZINC000036344875 569142795 /nfs/dbraw/zinc/14/27/95/569142795.db2.gz HDHAEEHHVDLKSO-VWLOTQADSA-N 0 1 418.585 3.927 50 0 HHAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccnc(-c2cccs2)c1 ZINC000065063096 569166888 /nfs/dbraw/zinc/16/68/88/569166888.db2.gz LYLWRPKEHUMIDI-UHFFFAOYSA-N 0 1 424.545 3.891 50 0 HHAAMN CN1CCN(Cc2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CC1 ZINC000036398380 569171562 /nfs/dbraw/zinc/17/15/62/569171562.db2.gz PUXMOQQPOWALCG-UHFFFAOYSA-N 0 1 406.299 3.588 50 0 HHAAMN Cc1sc2nc(CN3CCCC3)nc(NS(=O)(=O)Cc3ccccc3)c2c1C ZINC000006919643 569181612 /nfs/dbraw/zinc/18/16/12/569181612.db2.gz ZITVKBVTAWTDKO-UHFFFAOYSA-N 0 1 416.572 3.846 50 0 HHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3cccc(SC)c3)c(C)n2C)o1 ZINC000065186514 569192100 /nfs/dbraw/zinc/19/21/00/569192100.db2.gz SKNZAVTYFQHMNB-UHFFFAOYSA-N 0 1 406.533 3.777 50 0 HHAAMN O=C(c1ccc(F)cc1F)N1CCN(c2nc(CN3CCCCCC3)cs2)CC1 ZINC000065200324 569193679 /nfs/dbraw/zinc/19/36/79/569193679.db2.gz PJGAIZHNJLOBFQ-UHFFFAOYSA-N 0 1 420.529 3.760 50 0 HHAAMN Cc1ccc(-c2nccn3cc(C(=O)N4CCN(C5CCCCC5)CC4)nc23)cc1 ZINC000065274560 569215189 /nfs/dbraw/zinc/21/51/89/569215189.db2.gz NYNWILJHVAXPHF-UHFFFAOYSA-N 0 1 403.530 3.795 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 ZINC000013696501 569257097 /nfs/dbraw/zinc/25/70/97/569257097.db2.gz JDFXWOSULKQFAC-UHFFFAOYSA-N 0 1 402.516 3.740 50 0 HHAAMN Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000013788792 569257646 /nfs/dbraw/zinc/25/76/46/569257646.db2.gz VIVAUZBFZZMGTE-UHFFFAOYSA-N 0 1 413.528 3.703 50 0 HHAAMN CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21 ZINC000016837569 569263395 /nfs/dbraw/zinc/26/33/95/569263395.db2.gz KMTGUJCCGXCXSS-UHFFFAOYSA-N 0 1 408.907 3.839 50 0 HHAAMN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CN2CCC(C)CC2)cc1=O ZINC000017120719 569275103 /nfs/dbraw/zinc/27/51/03/569275103.db2.gz ONDOGEPMLUKLPH-UHFFFAOYSA-N 0 1 417.937 3.689 50 0 HHAAMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000252491273 569290366 /nfs/dbraw/zinc/29/03/66/569290366.db2.gz LKNAWBGWTQIFMG-UHFFFAOYSA-N 0 1 400.845 3.618 50 0 HHAAMN COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708572 569301552 /nfs/dbraw/zinc/30/15/52/569301552.db2.gz VHYKCUDVDYWDCQ-UHFFFAOYSA-N 0 1 402.516 3.920 50 0 HHAAMN CSc1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1-c1ccccc1 ZINC000007738707 569305282 /nfs/dbraw/zinc/30/52/82/569305282.db2.gz GUAJHVOVHJHDGQ-UHFFFAOYSA-N 0 1 407.543 3.598 50 0 HHAAMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000007910358 569321562 /nfs/dbraw/zinc/32/15/62/569321562.db2.gz QJMAHCIVKIVZFD-FQEVSTJZSA-N 0 1 407.558 3.701 50 0 HHAAMN Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cn1 ZINC000253410093 569366634 /nfs/dbraw/zinc/36/66/34/569366634.db2.gz MVLZRHJIQUMZRO-CQSZACIVSA-N 0 1 422.824 3.994 50 0 biogenic HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCC(C)CC1 ZINC000002311104 569373776 /nfs/dbraw/zinc/37/37/76/569373776.db2.gz LWNXKHZOARTHFU-LBPRGKRZSA-N 0 1 422.323 3.776 50 0 HHAAMN COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc1O ZINC000253470699 569381008 /nfs/dbraw/zinc/38/10/08/569381008.db2.gz ACUPLWLOPLHQRK-MRXNPFEDSA-N 0 1 413.401 3.668 50 0 HHAAMN CC1(C)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nnc(S)n32)CO1 ZINC000002389370 569392787 /nfs/dbraw/zinc/39/27/87/569392787.db2.gz QSFUENYCNBNLOP-UHFFFAOYSA-N 0 1 418.931 3.888 50 0 HHAAMN Cc1oc2c(cc3c(C)c(CC(=O)N4CCc5nc[nH]c5C4)c(=O)oc3c2C)c1C ZINC000008765217 571115367 /nfs/dbraw/zinc/11/53/67/571115367.db2.gz HLOWYNFPHGKIEL-UHFFFAOYSA-N 0 1 405.454 3.623 50 0 biogenic HHAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000039975832 571135455 /nfs/dbraw/zinc/13/54/55/571135455.db2.gz VLBWJILVRMYTMR-OAHLLOKOSA-N 0 1 400.529 3.998 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)c(C)c1 ZINC000008901642 571144931 /nfs/dbraw/zinc/14/49/31/571144931.db2.gz SSAKUQJGLGRXDU-LJQANCHMSA-N 0 1 408.589 3.961 50 0 HHAAMN COCCOc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1C ZINC000040087677 571158145 /nfs/dbraw/zinc/15/81/45/571158145.db2.gz VWMTUHCCNDSKJP-UHFFFAOYSA-N 0 1 405.394 3.720 50 0 HHAAMN Fc1ccc(OCc2noc(CN3CCCN(Cc4cccs4)CC3)n2)cc1 ZINC000040088712 571158961 /nfs/dbraw/zinc/15/89/61/571158961.db2.gz WWYZRBXWJCHLKL-UHFFFAOYSA-N 0 1 402.495 3.557 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)NCCSCc2cccs2)CC1 ZINC000040103962 571164754 /nfs/dbraw/zinc/16/47/54/571164754.db2.gz QAGJHCQAIDSTGE-UHFFFAOYSA-N 0 1 404.605 3.945 50 0 HHAAMN CC1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc32)C1NC(=O)c1ccc(Cl)cc1 ZINC000008990865 571206850 /nfs/dbraw/zinc/20/68/50/571206850.db2.gz RJHVYFHHUZBEMR-IBGZPJMESA-N 0 1 404.861 3.742 50 0 HHAAMN Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 ZINC000009151990 571230692 /nfs/dbraw/zinc/23/06/92/571230692.db2.gz QZSJFGPWWWWPAE-UHFFFAOYSA-N 0 1 403.410 3.721 50 0 HHAAMN Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000069950780 571250950 /nfs/dbraw/zinc/25/09/50/571250950.db2.gz HXANYRXTMUBJMB-UHFFFAOYSA-N 0 1 419.504 3.509 50 0 HHAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1C(=O)N1CCCCC1 ZINC000009684608 571279431 /nfs/dbraw/zinc/27/94/31/571279431.db2.gz PZYPRNYVGIKNJS-UHFFFAOYSA-N 0 1 415.559 3.937 50 0 HHAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(C)n1C ZINC000009684791 571279615 /nfs/dbraw/zinc/27/96/15/571279615.db2.gz LGHGSSBJCJAVJM-UHFFFAOYSA-N 0 1 403.548 3.802 50 0 HHAAMN Cc1ccc(N2C(=O)C3=C(C(=O)c4ccccc4)NN(c4ccccc4)C3C2=O)cc1 ZINC000100486631 571314197 /nfs/dbraw/zinc/31/41/97/571314197.db2.gz DMUYGKQUBDIZPA-UNMCSNQZSA-N 0 1 409.445 3.612 50 0 HHAAMN CC(C)Cc1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)n[nH]1 ZINC000011819684 962199934 /nfs/dbraw/zinc/19/99/34/962199934.db2.gz MVWDADHGUKGYCJ-QFIPXVFZSA-N 0 1 406.534 3.787 50 0 HHAAMN CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@H](CNC(=O)CN(C)C)C4)s1 ZINC000011963916 962215523 /nfs/dbraw/zinc/21/55/23/962215523.db2.gz WKSGMSTYHXWBLH-KRWDZBQOSA-N 0 1 408.523 3.752 50 0 HHAAMN CC(=O)c1ccc(N2CCN([C@H]3CCC(=O)N(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000012242858 962257964 /nfs/dbraw/zinc/25/79/64/962257964.db2.gz GMRFOSMGSFBLFH-DEOSSOPVSA-N 0 1 423.532 3.732 50 0 HHAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1 ZINC000012590862 962297946 /nfs/dbraw/zinc/29/79/46/962297946.db2.gz ZRAPEZSHOULXAN-UHFFFAOYSA-N 0 1 406.534 3.508 50 0 HHAAMN c1ccc(COc2cccc(CN3CCc4nnc([C@H]5CCCO5)n4CC3)c2)cc1 ZINC000019300358 963360865 /nfs/dbraw/zinc/36/08/65/963360865.db2.gz ZMZILQYCEWKNGE-JOCHJYFZSA-N 0 1 404.514 3.767 50 0 HHAAMN COc1ccc(-c2noc(CN3CC[C@H](c4ccc(F)cc4)C3)n2)c(OC)c1OC ZINC000020994951 963410806 /nfs/dbraw/zinc/41/08/06/963410806.db2.gz CBIPHGRENOYLIG-HNNXBMFYSA-N 0 1 413.449 3.891 50 0 HHAAMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C\c2ccc(Br)s2)C[C@@H](C)O1 ZINC000229779548 970132464 /nfs/dbraw/zinc/13/24/64/970132464.db2.gz SYXJJCPLCGFMTF-UMYCQHFCSA-N 0 1 413.381 3.624 50 0 HHAAMN C[NH+]1CCN(c2ncc(/C=C(/CCCC(=O)[O-])c3nc4ccccc4s3)cn2)CC1 ZINC000328597281 972766886 /nfs/dbraw/zinc/76/68/86/972766886.db2.gz GNCRCJCNVVNZAG-LGMDPLHJSA-N 0 1 423.542 3.634 50 0 HHAAMN CC(C)C[N@H+]1CCCn2ccnc2[C@H]1C1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000409419664 972890197 /nfs/dbraw/zinc/89/01/97/972890197.db2.gz WZXFOYQSZIIUCM-OAQYLSRUSA-N 0 1 424.545 3.537 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)CC1 ZINC000462271267 985261170 /nfs/dbraw/zinc/26/11/70/985261170.db2.gz NKZLYLYWFMCYLB-UHFFFAOYSA-N 0 1 424.549 3.500 50 0 HHAAMN COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000004364519 132275783 /nfs/dbraw/zinc/27/57/83/132275783.db2.gz PZWHEQIOEMDZEH-UHFFFAOYSA-N 0 1 401.938 3.681 50 0 HHAAMN CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000007984732 132326552 /nfs/dbraw/zinc/32/65/52/132326552.db2.gz JBAZPEBBRBCJNW-UHFFFAOYSA-N 0 1 409.530 3.829 50 0 HHAAMN O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697945 132349951 /nfs/dbraw/zinc/34/99/51/132349951.db2.gz UMQMYKFWORSVGS-UHFFFAOYSA-N 0 1 410.481 3.731 50 0 HHAAMN Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCN(C)CC1 ZINC000012734802 132366272 /nfs/dbraw/zinc/36/62/72/132366272.db2.gz FFUWDWRKHNYPLW-UHFFFAOYSA-N 0 1 413.465 3.566 50 0 HHAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccccc3C)c(Br)cc2C[C@H]1C ZINC000040450643 519638994 /nfs/dbraw/zinc/63/89/94/519638994.db2.gz BIEWGSUETUXVQI-GFCCVEGCSA-N 0 1 423.332 3.856 50 0 HHAAMN CCOC(=O)C1=C(CN(C)c2ccc(CC)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560332 520507351 /nfs/dbraw/zinc/50/73/51/520507351.db2.gz VIQHTTIUVBAQEW-JOCHJYFZSA-N 0 1 407.514 3.865 50 0 HHAAMN CCOC(=O)C1=C(CN(C)c2ccc(CC)cc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560334 520508912 /nfs/dbraw/zinc/50/89/12/520508912.db2.gz VIQHTTIUVBAQEW-QFIPXVFZSA-N 0 1 407.514 3.865 50 0 HHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)c1 ZINC000040312859 521985997 /nfs/dbraw/zinc/98/59/97/521985997.db2.gz USYYZPRCAFLPOX-NRFANRHFSA-N 0 1 420.469 3.693 50 0 biogenic HHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F ZINC000040287110 522988859 /nfs/dbraw/zinc/98/88/59/522988859.db2.gz GWFFTJVMTDYHCR-IBGZPJMESA-N 0 1 422.888 3.593 50 0 HHAAMN COc1ccc(CN2CCCN(C(=O)[C@@H](C)Oc3ccccc3Cl)CC2)cc1 ZINC000032795856 524026888 /nfs/dbraw/zinc/02/68/88/524026888.db2.gz DQCSEFVEFZEVLA-QGZVFWFLSA-N 0 1 402.922 3.850 50 0 HHAAMN Cc1cccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)c1 ZINC000020560415 524699396 /nfs/dbraw/zinc/69/93/96/524699396.db2.gz DXCDMKVDMNZFNQ-UHFFFAOYSA-N 0 1 413.529 3.738 50 0 HHAAMN Cc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)cc1 ZINC000020560419 525327444 /nfs/dbraw/zinc/32/74/44/525327444.db2.gz QPYPEPPNCMRCEK-UHFFFAOYSA-N 0 1 413.529 3.738 50 0 HHAAMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000053991270 525942872 /nfs/dbraw/zinc/94/28/72/525942872.db2.gz PLDCLOUWQDUWQB-CQSZACIVSA-N 0 1 408.329 3.937 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000012646039 535754488 /nfs/dbraw/zinc/75/44/88/535754488.db2.gz ORFWWDLGMOBIFV-UHFFFAOYSA-N 0 1 404.514 3.973 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000012613396 536422855 /nfs/dbraw/zinc/42/28/55/536422855.db2.gz IPUAPHAEEYGANB-UHFFFAOYSA-N 0 1 410.562 3.929 50 0 HHAAMN CC1=NC(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C1C(=O)OC[C@H]1CCCO1 ZINC000000853934 557102152 /nfs/dbraw/zinc/10/21/52/557102152.db2.gz JUVNOQZQZGPOCX-IRLDBZIGSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN CC1=NC(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OC[C@H]1CCCO1 ZINC000000861085 557103935 /nfs/dbraw/zinc/10/39/35/557103935.db2.gz BDDJLFJKCZNKKW-TZIWHRDSSA-N 0 1 408.454 3.829 50 0 biogenic HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)ccc1Cl ZINC000000917352 557117800 /nfs/dbraw/zinc/11/78/00/557117800.db2.gz PUMGMAMCGWHQKF-UHFFFAOYSA-N 0 1 423.281 3.837 50 0 HHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000001033576 557148785 /nfs/dbraw/zinc/14/87/85/557148785.db2.gz MSGMMRKTIQDFAP-UHFFFAOYSA-N 0 1 411.487 3.847 50 0 HHAAMN CCOC(=O)C1C(CSc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000001069971 557168779 /nfs/dbraw/zinc/16/87/79/557168779.db2.gz VTWHJWALLXQIEV-FQEVSTJZSA-N 0 1 412.511 3.967 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccccc2)cc1 ZINC000006093652 557172793 /nfs/dbraw/zinc/17/27/93/557172793.db2.gz XFFLDBRSPGOTAJ-DTQAZKPQSA-N 0 1 422.506 3.826 50 0 HHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000001169012 557222828 /nfs/dbraw/zinc/22/28/28/557222828.db2.gz HGCKKFMSIKZJHO-SFHVURJKSA-N 0 1 416.861 3.686 50 0 HHAAMN COc1ccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c(OC)c1 ZINC000001179397 557229387 /nfs/dbraw/zinc/22/93/87/557229387.db2.gz RFMBZYJTWPYDRN-UHFFFAOYSA-N 0 1 402.922 3.886 50 0 HHAAMN CCOC(=O)[C@](NC(C)=O)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000002344628 557338812 /nfs/dbraw/zinc/33/88/12/557338812.db2.gz QDEUCTBZZLTRQV-LBPRGKRZSA-N 0 1 406.710 3.729 50 0 HHAAMN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCN(CCc2ccccc2)CC1 ZINC000004324609 557541556 /nfs/dbraw/zinc/54/15/56/557541556.db2.gz YYOWZZIFKJXXPU-UHFFFAOYSA-N 0 1 412.477 3.645 50 0 HHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1 ZINC000006139262 557690004 /nfs/dbraw/zinc/69/00/04/557690004.db2.gz ZJKNMGRTICSHDN-UHFFFAOYSA-N 0 1 415.902 3.774 50 0 HHAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(Cl)c2)N(CCN(C)C)C1=O ZINC000006660975 557712768 /nfs/dbraw/zinc/71/27/68/557712768.db2.gz PBSKPFKKPIZKBS-LJQANCHMSA-N 0 1 412.873 3.562 50 0 HHAAMN CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1cc[nH]n1)CC2 ZINC000011784661 558275676 /nfs/dbraw/zinc/27/56/76/558275676.db2.gz LGUOOFZSTFYPAR-RTWAWAEBSA-N 0 1 422.554 3.505 50 0 HHAAMN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000019902212 558305361 /nfs/dbraw/zinc/30/53/61/558305361.db2.gz CGUBGAGWFOCETQ-QFIPXVFZSA-N 0 1 415.965 3.846 50 0 HHAAMN CCOC(=O)C1(CC2CC2)CCN(C(=O)CSc2nc3ccc(C)cc3[nH]2)CC1 ZINC000012307359 558375937 /nfs/dbraw/zinc/37/59/37/558375937.db2.gz NJTXXOPKZCYILY-UHFFFAOYSA-N 0 1 415.559 3.935 50 0 HHAAMN COC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020500983 558380961 /nfs/dbraw/zinc/38/09/61/558380961.db2.gz QGWPETSUOQEIPU-FQEVSTJZSA-N 0 1 413.905 3.528 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cc(Cl)cc(Cl)c1 ZINC000020731452 558406645 /nfs/dbraw/zinc/40/66/45/558406645.db2.gz ZVFIGLQJGMAWJK-CQSZACIVSA-N 0 1 402.241 3.774 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Cl)c(Cl)c1 ZINC000020739620 558408757 /nfs/dbraw/zinc/40/87/57/558408757.db2.gz ZERKWDJAEUZIOF-AWEZNQCLSA-N 0 1 402.241 3.774 50 0 HHAAMN CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012457469 558417835 /nfs/dbraw/zinc/41/78/35/558417835.db2.gz DHFDKUAEXIXZER-GOSISDBHSA-N 0 1 400.475 3.744 50 0 HHAAMN COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012458068 558417992 /nfs/dbraw/zinc/41/79/92/558417992.db2.gz AXYPDWMLKORYNS-QGZVFWFLSA-N 0 1 403.906 3.815 50 0 HHAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004356007 558443425 /nfs/dbraw/zinc/44/34/25/558443425.db2.gz DOVDCHFULBEZCC-MOSHPQCFSA-N 0 1 420.444 3.762 50 0 HHAAMN Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)no1 ZINC000012702336 558448275 /nfs/dbraw/zinc/44/82/75/558448275.db2.gz RQHOMEPZCOTIAQ-HXUWFJFHSA-N 0 1 415.509 3.656 50 0 HHAAMN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cnc(N)nc4)C3)cc2)c1 ZINC000012703262 558448513 /nfs/dbraw/zinc/44/85/13/558448513.db2.gz CCHYSMBBVDACRD-HXUWFJFHSA-N 0 1 417.513 3.585 50 0 HHAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)[C@@H]3COc4ccccc4O3)nc2c1C ZINC000004359384 558451387 /nfs/dbraw/zinc/45/13/87/558451387.db2.gz HWNOWPPPDPNXKP-SFHVURJKSA-N 0 1 411.527 3.648 50 0 HHAAMN CN(C)CCN(C(=O)CCOc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359422 558451692 /nfs/dbraw/zinc/45/16/92/558451692.db2.gz JXTKKTCXYZHTFI-UHFFFAOYSA-N 0 1 405.470 3.938 50 0 HHAAMN O=C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1 ZINC000012716703 558455426 /nfs/dbraw/zinc/45/54/26/558455426.db2.gz ANGFWFHWHAFYAU-UHFFFAOYSA-N 0 1 400.482 3.667 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)c3ccc(COCC(F)(F)F)cc3)cc2)CC1 ZINC000022192727 558465910 /nfs/dbraw/zinc/46/59/10/558465910.db2.gz ZZSHJYFVUBYIQJ-UHFFFAOYSA-N 0 1 407.436 3.770 50 0 HHAAMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000022913351 558520344 /nfs/dbraw/zinc/52/03/44/558520344.db2.gz XZVKUQKLYWSWFI-DEOSSOPVSA-N 0 1 422.548 3.697 50 0 HHAAMN COc1ccc(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)cc1 ZINC000013164470 558524982 /nfs/dbraw/zinc/52/49/82/558524982.db2.gz INWQAFUWIMXJTL-OAHLLOKOSA-N 0 1 419.300 3.875 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c(C)c1C ZINC000023145674 558538358 /nfs/dbraw/zinc/53/83/58/558538358.db2.gz IAUOFQLPOPMPBS-FQEVSTJZSA-N 0 1 404.501 3.659 50 0 HHAAMN Oc1ccccc1N1CCN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000024363840 558596073 /nfs/dbraw/zinc/59/60/73/558596073.db2.gz NYVQBMUXPDLIFO-HSZRJFAPSA-N 0 1 418.537 3.681 50 0 HHAAMN C[C@@H]1CN(CCCNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C[C@@H](C)O1 ZINC000014187297 558631416 /nfs/dbraw/zinc/63/14/16/558631416.db2.gz UFVOYJCGNSYLHV-QZTJIDSGSA-N 0 1 424.570 3.830 50 0 HHAAMN CC(C)CN1CCO[C@H](CSc2nc3ccccc3c(=O)n2C2CCCC2)C1 ZINC000025106168 558631818 /nfs/dbraw/zinc/63/18/18/558631818.db2.gz GPRKHNMBSFDHFO-SFHVURJKSA-N 0 1 401.576 3.961 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027667518 558679795 /nfs/dbraw/zinc/67/97/95/558679795.db2.gz ANKLGLQNOJMSSY-VGOFRKELSA-N 0 1 400.494 3.945 50 0 HHAAMN O=c1c2ccccc2c(-c2cccs2)nn1CN1CCN(Cc2ccccc2)CC1 ZINC000029498592 558715984 /nfs/dbraw/zinc/71/59/84/558715984.db2.gz IXPPKOSBRUTJIG-UHFFFAOYSA-N 0 1 416.550 3.900 50 0 HHAAMN COc1cccc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000015079771 558718376 /nfs/dbraw/zinc/71/83/76/558718376.db2.gz JCMLENXIUNEDRW-OAQYLSRUSA-N 0 1 413.949 3.775 50 0 HHAAMN COc1cccc([C@@H](CNC(=O)c2ccc(NC(=O)C3CC3)cc2)N2CCCC2)c1 ZINC000032988482 558808266 /nfs/dbraw/zinc/80/82/66/558808266.db2.gz WNOSIYPDVROJQL-JOCHJYFZSA-N 0 1 407.514 3.611 50 0 HHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(F)cc4)ccc3n2)CC1 ZINC000033084670 558869065 /nfs/dbraw/zinc/86/90/65/558869065.db2.gz HBCIIOJPMTUUNP-UHFFFAOYSA-N 0 1 422.504 3.842 50 0 HHAAMN CCN1CCN(c2ncnc3sc(C(=O)NCCC4=CCCCC4)c(C)c32)CC1 ZINC000033048325 558885357 /nfs/dbraw/zinc/88/53/57/558885357.db2.gz UAACMIRSSYJYOM-UHFFFAOYSA-N 0 1 413.591 3.762 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)NCCc2coc(-c3ccccc3)n2)CC1 ZINC000058331175 558920174 /nfs/dbraw/zinc/92/01/74/558920174.db2.gz SAQGAMKXIQPMDY-UHFFFAOYSA-N 0 1 419.529 3.848 50 0 HHAAMN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000058392112 558923528 /nfs/dbraw/zinc/92/35/28/558923528.db2.gz RLWRTOHHHMLJKR-UHFFFAOYSA-N 0 1 418.896 3.574 50 0 HHAAMN CCc1ccc(NS(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)cc1 ZINC000033256314 558923727 /nfs/dbraw/zinc/92/37/27/558923727.db2.gz JDAAHZHAVXAUIV-UHFFFAOYSA-N 0 1 413.524 3.889 50 0 HHAAMN CNC(=O)c1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000036390865 558935050 /nfs/dbraw/zinc/93/50/50/558935050.db2.gz KDOQLXWKEQXRMJ-BGVYSJOJSA-N 0 1 411.933 3.666 50 0 HHAAMN Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(N2CCCCC2)n1 ZINC000065363941 558974890 /nfs/dbraw/zinc/97/48/90/558974890.db2.gz ZLJHSGBWNVWZNJ-UHFFFAOYSA-N 0 1 414.941 3.783 50 0 HHAAMN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)NC2CCCCCC2)[C@H](c2cccnc2)[N@H+]1C ZINC000067514051 558987158 /nfs/dbraw/zinc/98/71/58/558987158.db2.gz RIDLVEUUHVKIFJ-JTAQYXEDSA-N 0 1 401.551 3.783 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(N2CCCCC2)n1 ZINC000067602127 558987787 /nfs/dbraw/zinc/98/77/87/558987787.db2.gz OKHFDIJNNCUWGY-UHFFFAOYSA-N 0 1 415.541 3.891 50 0 HHAAMN O=C(CN1CCN([C@H]2CCCSC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000097032805 558988283 /nfs/dbraw/zinc/98/82/83/558988283.db2.gz XJWJGYUCFMCKBW-AWEZNQCLSA-N 0 1 421.916 3.811 50 0 HHAAMN CCc1nc(SCc2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)n[nH]1 ZINC000033270855 559032638 /nfs/dbraw/zinc/03/26/38/559032638.db2.gz WHQRCUZPGOZANF-UHFFFAOYSA-N 0 1 406.899 3.576 50 0 HHAAMN CCc1n[nH]c(SCc2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)n1 ZINC000033270855 559032639 /nfs/dbraw/zinc/03/26/39/559032639.db2.gz WHQRCUZPGOZANF-UHFFFAOYSA-N 0 1 406.899 3.576 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C)[nH]1)C[C@@H](C)CC2 ZINC000011658418 559124181 /nfs/dbraw/zinc/12/41/81/559124181.db2.gz LKELMTASKYKBDI-VHSXEESVSA-N 0 1 408.549 3.595 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc(C)n[nH]1)C[C@@H](C)CC2 ZINC000011658418 559124182 /nfs/dbraw/zinc/12/41/82/559124182.db2.gz LKELMTASKYKBDI-VHSXEESVSA-N 0 1 408.549 3.595 50 0 HHAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000101104972 559143401 /nfs/dbraw/zinc/14/34/01/559143401.db2.gz VGAJYRKEVKPHAO-YPAWHYETSA-N 0 1 400.434 3.746 50 0 HHAAMN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000004928784 559208581 /nfs/dbraw/zinc/20/85/81/559208581.db2.gz ZENAWFLASUIGAP-HSZRJFAPSA-N 0 1 414.571 3.808 50 0 HHAAMN COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000033749567 559240731 /nfs/dbraw/zinc/24/07/31/559240731.db2.gz LPUXTZWNWDSBQR-SJCJKPOMSA-N 0 1 402.520 3.643 50 0 HHAAMN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C)CC2)c(OC)c1 ZINC000005093821 559244384 /nfs/dbraw/zinc/24/43/84/559244384.db2.gz FZRKCEKKAABEDP-FQEVSTJZSA-N 0 1 423.513 3.678 50 0 HHAAMN O=C(COc1ccccc1)NCc1n[nH]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000005128750 559248992 /nfs/dbraw/zinc/24/89/92/559248992.db2.gz QBQTXVKUBYJREA-UHFFFAOYSA-N 0 1 408.405 3.644 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccccc2)c1 ZINC000033863983 559270704 /nfs/dbraw/zinc/27/07/04/559270704.db2.gz BBLLVSVHLZCVNJ-UHFFFAOYSA-N 0 1 424.522 3.777 50 0 HHAAMN N=C1S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000005216110 560543611 /nfs/dbraw/zinc/54/36/11/560543611.db2.gz ZEPQONWSVNOWGT-CQSZACIVSA-N 0 1 404.289 3.861 50 0 HHAAMN Cc1[nH]c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)nc1Cc1ccccc1 ZINC000005312638 560564213 /nfs/dbraw/zinc/56/42/13/560564213.db2.gz STZBHZRFMOCTRD-RHSMWYFYSA-N 0 1 400.548 3.806 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cc1N1CCCCC1=O ZINC000005330217 560565704 /nfs/dbraw/zinc/56/57/04/560565704.db2.gz PLIGDAIRETVCRW-UHFFFAOYSA-N 0 1 418.515 3.638 50 0 HHAAMN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)ccc3O)n[nH]1)CCCC2 ZINC000005343864 560566943 /nfs/dbraw/zinc/56/69/43/560566943.db2.gz BVUKWWYAVDMDGG-UHFFFAOYSA-N 0 1 410.499 3.643 50 0 HHAAMN c1ccc2c(c1)nc(-c1ccncc1)nc2N1CCC(CCN2CCOCC2)CC1 ZINC000062580409 560631491 /nfs/dbraw/zinc/63/14/91/560631491.db2.gz IARLSEIPXGNSOR-UHFFFAOYSA-N 0 1 403.530 3.631 50 0 HHAAMN COc1ccccc1-n1c(CNC(=O)c2ccccc2C(F)(F)F)n[nH]c1=S ZINC000005658465 560636945 /nfs/dbraw/zinc/63/69/45/560636945.db2.gz VCXGGTUZCJNLAX-UHFFFAOYSA-N 0 1 408.405 3.887 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101079171 560771404 /nfs/dbraw/zinc/77/14/04/560771404.db2.gz QEXPOZVDGJBPDH-NSHDSACASA-N 0 1 406.891 3.546 50 0 HHAAMN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1C ZINC000085690457 560853114 /nfs/dbraw/zinc/85/31/14/560853114.db2.gz DBDYHJUKTXKJSV-SFHVURJKSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690512 560853217 /nfs/dbraw/zinc/85/32/17/560853217.db2.gz NZKZLHXRKBMELS-SFHVURJKSA-N 0 1 403.486 3.579 50 0 HHAAMN CC(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984303 560858969 /nfs/dbraw/zinc/85/89/69/560858969.db2.gz FIKUOGRGTTXSKB-FGZHOGPDSA-N 0 1 400.494 3.607 50 0 HHAAMN COc1ccc2nc(N(CCN(C)C)C(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000012140791 560890359 /nfs/dbraw/zinc/89/03/59/560890359.db2.gz ATWHAMOFVQZYSM-UHFFFAOYSA-N 0 1 423.494 3.620 50 0 HHAAMN CCCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032300 568424635 /nfs/dbraw/zinc/42/46/35/568424635.db2.gz BFBVREOZWFUURF-UHFFFAOYSA-N 0 1 400.548 3.869 50 0 HHAAMN COC(=O)c1cc(Cl)c(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1OC ZINC000048112763 568432087 /nfs/dbraw/zinc/43/20/87/568432087.db2.gz MRXLEXROINAXFS-CQSZACIVSA-N 0 1 411.911 3.621 50 0 HHAAMN C[C@H](NCC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000049581018 568452816 /nfs/dbraw/zinc/45/28/16/568452816.db2.gz ROFHFLQINBZIGT-SFHVURJKSA-N 0 1 406.482 3.930 50 0 HHAAMN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326709 568471900 /nfs/dbraw/zinc/47/19/00/568471900.db2.gz BAMQVPYWMNHYKI-QVRRQISLSA-N 0 1 409.574 3.811 50 0 HHAAMN O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000833655 568511843 /nfs/dbraw/zinc/51/18/43/568511843.db2.gz QZQLJZSRNFYIJZ-IZZDOVSWSA-N 0 1 414.874 3.583 50 0 HHAAMN Cc1ccccc1C(=O)Nc1ccc2nc(N3CCC[N@H+](C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260496 568512808 /nfs/dbraw/zinc/51/28/08/568512808.db2.gz VXAQMYVBKWFTPT-UHFFFAOYSA-N 0 1 418.497 3.636 50 0 HHAAMN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214613 568594678 /nfs/dbraw/zinc/59/46/78/568594678.db2.gz CTEHOTDYYWVWMF-OAQYLSRUSA-N 0 1 415.534 3.521 50 0 HHAAMN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214613 568594680 /nfs/dbraw/zinc/59/46/80/568594680.db2.gz CTEHOTDYYWVWMF-OAQYLSRUSA-N 0 1 415.534 3.521 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N4CCCC[C@@H]4C)c3=O)c2c1 ZINC000020330634 568599412 /nfs/dbraw/zinc/59/94/12/568599412.db2.gz IJBMMVQXPWHXNG-ZDUSSCGKSA-N 0 1 414.531 3.730 50 0 HHAAMN CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000095348903 568600228 /nfs/dbraw/zinc/60/02/28/568600228.db2.gz OCRISXVSEOFVHR-SFHVURJKSA-N 0 1 409.555 3.631 50 0 HHAAMN CNS(=O)(=O)c1ccccc1N1CCN([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000095348904 568600250 /nfs/dbraw/zinc/60/02/50/568600250.db2.gz OCRISXVSEOFVHR-GOSISDBHSA-N 0 1 409.555 3.631 50 0 HHAAMN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)cc1Cl ZINC000020467810 568610481 /nfs/dbraw/zinc/61/04/81/568610481.db2.gz YXWSSRJXJOAVMJ-UHFFFAOYSA-N 0 1 406.939 3.641 50 0 HHAAMN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)cc1Cl ZINC000020467810 568610483 /nfs/dbraw/zinc/61/04/83/568610483.db2.gz YXWSSRJXJOAVMJ-UHFFFAOYSA-N 0 1 406.939 3.641 50 0 HHAAMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000095457369 568618409 /nfs/dbraw/zinc/61/84/09/568618409.db2.gz DWCOQSQXGBZCIM-UHFFFAOYSA-N 0 1 405.426 3.882 50 0 HHAAMN CCN(CC)CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)noc1C ZINC000095944158 568663197 /nfs/dbraw/zinc/66/31/97/568663197.db2.gz WFBYTQXOVAVBDZ-UHFFFAOYSA-N 0 1 419.469 3.847 50 0 HHAAMN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095961319 568670074 /nfs/dbraw/zinc/67/00/74/568670074.db2.gz VZUKITQPOHGDGQ-MDASCCDHSA-N 0 1 407.297 3.909 50 0 HHAAMN CCN1CCN(CC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)CC1 ZINC000021659464 568735223 /nfs/dbraw/zinc/73/52/23/568735223.db2.gz WRTKYPQKZXLOQV-UHFFFAOYSA-N 0 1 415.541 3.695 50 0 HHAAMN O=C(NC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000096400016 568749218 /nfs/dbraw/zinc/74/92/18/568749218.db2.gz GJWQJHXUMXDCSD-UHFFFAOYSA-N 0 1 414.918 3.826 50 0 HHAAMN O=C(NC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1)c1ccccc1Cl ZINC000096400019 568749316 /nfs/dbraw/zinc/74/93/16/568749316.db2.gz UAHPFGLPAYPFHZ-UHFFFAOYSA-N 0 1 414.918 3.826 50 0 HHAAMN CCOc1ccc(S(=O)(=O)N2CCC(N3CCc4sccc4C3)CC2)cc1C ZINC000225690125 568779133 /nfs/dbraw/zinc/77/91/33/568779133.db2.gz NDPVWGITZCODOD-UHFFFAOYSA-N 0 1 420.600 3.667 50 0 HHAAMN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000012548402 568851726 /nfs/dbraw/zinc/85/17/26/568851726.db2.gz MTZSVCIPQQYLIM-UHFFFAOYSA-N 0 1 416.421 3.655 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)N2CCCCC2)cc1 ZINC000030511808 568868243 /nfs/dbraw/zinc/86/82/43/568868243.db2.gz WJLACUOAAIEDDQ-QHCPKHFHSA-N 0 1 404.514 3.838 50 0 HHAAMN C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000299774291 568874612 /nfs/dbraw/zinc/87/46/12/568874612.db2.gz BOUJPUUIMYBWQU-QGZVFWFLSA-N 0 1 422.529 3.711 50 0 HHAAMN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000003338233 568883126 /nfs/dbraw/zinc/88/31/26/568883126.db2.gz GXBNEWFFEMBONT-UHFFFAOYSA-N 0 1 416.254 3.791 50 0 HHAAMN Cc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1C ZINC000012727298 568920992 /nfs/dbraw/zinc/92/09/92/568920992.db2.gz GXVWYDAALOMBEZ-SFHVURJKSA-N 0 1 409.530 3.537 50 0 HHAAMN COc1cc2[nH]cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2cc1OC ZINC000004169895 568948188 /nfs/dbraw/zinc/94/81/88/568948188.db2.gz WDCRRUMSNZUVHJ-UHFFFAOYSA-N 0 1 401.484 3.676 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cncn2-c2ccccc2)N2CCCCC2)cc1 ZINC000008012630 568968338 /nfs/dbraw/zinc/96/83/38/568968338.db2.gz LBZOPYGPXKTYRM-QFIPXVFZSA-N 0 1 404.514 3.838 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3nccc3C)cc2)N2CCCC2)cc1 ZINC000008264921 568985873 /nfs/dbraw/zinc/98/58/73/568985873.db2.gz VYZQEVDDHNRYCM-QHCPKHFHSA-N 0 1 404.514 3.756 50 0 HHAAMN COc1ccc(C=C2CN(C)CC3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000053213726 568992269 /nfs/dbraw/zinc/99/22/69/568992269.db2.gz SECUXGOCAXAHGI-GUOCTKQSSA-N 0 1 407.539 3.506 50 0 HHAAMN Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]1c1ccccn1 ZINC000101232121 569008171 /nfs/dbraw/zinc/00/81/71/569008171.db2.gz MJQGWYFYAQTZTH-ACRUOGEOSA-N 0 1 403.413 3.580 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)c(C)c1C ZINC000104349236 569008362 /nfs/dbraw/zinc/00/83/62/569008362.db2.gz RZSYFHNSQOFIGK-OAQYLSRUSA-N 0 1 416.537 3.529 50 0 HHAAMN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000006146452 569014547 /nfs/dbraw/zinc/01/45/47/569014547.db2.gz ZPQMGOZPKOMGEN-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 ZINC000001574618 569030614 /nfs/dbraw/zinc/03/06/14/569030614.db2.gz QTSDJLVCHRYVJZ-UHFFFAOYSA-N 0 1 417.878 3.883 50 0 HHAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccccc1)=N2 ZINC000035372751 569033715 /nfs/dbraw/zinc/03/37/15/569033715.db2.gz UVEISKZQTJIUCO-UHFFFAOYSA-N 0 1 410.518 3.821 50 0 HHAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000575619997 569038770 /nfs/dbraw/zinc/03/87/70/569038770.db2.gz HIQANHVXSLEHRH-MRXNPFEDSA-N 0 1 419.403 3.809 50 0 HHAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1 ZINC000035539453 569043698 /nfs/dbraw/zinc/04/36/98/569043698.db2.gz DOCBAQLMCOOSDG-UHFFFAOYSA-N 0 1 418.500 3.743 50 0 HHAAMN C[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)N2)[C@@H]1C ZINC000006389571 569046371 /nfs/dbraw/zinc/04/63/71/569046371.db2.gz WVLBZGJIXNDCCS-BZUAXINKSA-N 0 1 405.564 3.756 50 0 HHAAMN CN(C)[C@H](CNC(=O)c1nc(N2CCCCC2)ncc1Cl)c1ccc(Cl)cc1 ZINC000072309358 569048629 /nfs/dbraw/zinc/04/86/29/569048629.db2.gz ANGBDOWRRIVCJG-QGZVFWFLSA-N 0 1 422.360 3.806 50 0 HHAAMN CC1(C)CN=C(N2CCN(C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)S1 ZINC000002027038 569066760 /nfs/dbraw/zinc/06/67/60/569066760.db2.gz KYYVTZWOPPHURW-SFHVURJKSA-N 0 1 422.598 3.654 50 0 HHAAMN CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)[N@H+]3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036104771 569092694 /nfs/dbraw/zinc/09/26/94/569092694.db2.gz GSVMYPGTTWPJRD-UGSOOPFHSA-N 0 1 416.547 3.897 50 0 HHAAMN CC(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145900 569098369 /nfs/dbraw/zinc/09/83/69/569098369.db2.gz FIKUOGRGTTXSKB-YADHBBJMSA-N 0 1 400.494 3.607 50 0 HHAAMN CC(C)COC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146238 569098567 /nfs/dbraw/zinc/09/85/67/569098567.db2.gz RWTSNIIHWPDSRX-SFTDATJTSA-N 0 1 414.521 3.854 50 0 HHAAMN O=C(C1=CCN(Cc2ccc(F)cc2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000064818052 569101177 /nfs/dbraw/zinc/10/11/77/569101177.db2.gz YLGUPRTWEINZEH-UHFFFAOYSA-N 0 1 413.924 3.960 50 0 HHAAMN COc1cccc(CN2CC=C(C(=O)NCc3cccc(Br)c3)CC2)c1 ZINC000064818013 569101189 /nfs/dbraw/zinc/10/11/89/569101189.db2.gz YTQUUKKLRZJFSO-UHFFFAOYSA-N 0 1 415.331 3.906 50 0 HHAAMN COCCN1C(=O)c2n[nH]c(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(OC)c1 ZINC000006743252 569108001 /nfs/dbraw/zinc/10/80/01/569108001.db2.gz XTFKIYAMXFZURH-JOCHJYFZSA-N 0 1 407.470 3.599 50 0 HHAAMN CC(C)CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)c1 ZINC000006753047 569111709 /nfs/dbraw/zinc/11/17/09/569111709.db2.gz GLTJPSGEANUSSZ-HSZRJFAPSA-N 0 1 421.497 3.745 50 0 HHAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)c1 ZINC000006753231 569111776 /nfs/dbraw/zinc/11/17/76/569111776.db2.gz LZJLNFFVRSZHFM-JOCHJYFZSA-N 0 1 407.470 3.681 50 0 HHAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1 ZINC000006753037 569111815 /nfs/dbraw/zinc/11/18/15/569111815.db2.gz OIPVHLHJPRPHNK-HSZRJFAPSA-N 0 1 421.497 3.889 50 0 HHAAMN O=c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000019371410 569124736 /nfs/dbraw/zinc/12/47/36/569124736.db2.gz ZFAXZGLTGUFGPC-QPJJXVBHSA-N 0 1 410.901 3.983 50 0 HHAAMN CC(C)Cc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000064969543 569138100 /nfs/dbraw/zinc/13/81/00/569138100.db2.gz XQOXNZHDDMEWNK-UHFFFAOYSA-N 0 1 418.950 3.845 50 0 HHAAMN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](C)O)CC2)c1Cc1ccccc1F ZINC000036340397 569141653 /nfs/dbraw/zinc/14/16/53/569141653.db2.gz XNKYRGVFBSQGRC-SFHVURJKSA-N 0 1 420.532 3.685 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(C)=O ZINC000065020904 569154086 /nfs/dbraw/zinc/15/40/86/569154086.db2.gz LZAFVHROVSRUQS-UHFFFAOYSA-N 0 1 408.907 3.794 50 0 HHAAMN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)cc1OCC ZINC000006891467 569174102 /nfs/dbraw/zinc/17/41/02/569174102.db2.gz AHPNCPDCFIKKOK-LJQANCHMSA-N 0 1 401.532 3.778 50 0 HHAAMN CCn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000065322469 569224577 /nfs/dbraw/zinc/22/45/77/569224577.db2.gz MGDGPLPHNZLOTR-UHFFFAOYSA-N 0 1 408.502 3.678 50 0 HHAAMN Cc1nnc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)s1 ZINC000007342026 569234572 /nfs/dbraw/zinc/23/45/72/569234572.db2.gz LFYWMYIZIHTFRM-UHFFFAOYSA-N 0 1 401.304 3.669 50 0 HHAAMN CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21 ZINC000016837556 569263418 /nfs/dbraw/zinc/26/34/18/569263418.db2.gz ZRQOBUXSWRBRRW-UHFFFAOYSA-N 0 1 423.332 3.939 50 0 HHAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2OC)cc1 ZINC000017056259 569272725 /nfs/dbraw/zinc/27/27/25/569272725.db2.gz BIDXGKKCLCIHJZ-HNNXBMFYSA-N 0 1 404.532 3.833 50 0 HHAAMN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 ZINC000026771575 569357626 /nfs/dbraw/zinc/35/76/26/569357626.db2.gz IYKRYPCAWRTXRE-PZUNEJSGSA-N 0 1 408.542 3.680 50 0 biogenic HHAAMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000027574131 569374589 /nfs/dbraw/zinc/37/45/89/569374589.db2.gz ULBMUXIUQMLCBD-UHFFFAOYSA-N 0 1 410.470 3.570 50 0 HHAAMN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000078716637 569419858 /nfs/dbraw/zinc/41/98/58/569419858.db2.gz WCJZBILMZSBRCV-GOSISDBHSA-N 0 1 401.576 3.822 50 0 HHAAMN O=C(c1[nH]nnc1Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000067284339 571063730 /nfs/dbraw/zinc/06/37/30/571063730.db2.gz JUBRGOCUGYCJQJ-UHFFFAOYSA-N 0 1 417.300 3.818 50 0 HHAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 ZINC000008840889 571124215 /nfs/dbraw/zinc/12/42/15/571124215.db2.gz KCYXQRWHXUIUHC-UHFFFAOYSA-N 0 1 416.543 3.994 50 0 HHAAMN c1cc(-c2nc3ccccc3c(NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)n2)cs1 ZINC000040051251 571145106 /nfs/dbraw/zinc/14/51/06/571145106.db2.gz GGGAUBKPRTWGFG-UZLBHIALSA-N 0 1 410.543 3.508 50 0 HHAAMN CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccc(F)cc2)C3)c1C ZINC000069656379 571237037 /nfs/dbraw/zinc/23/70/37/571237037.db2.gz DTZQIUSELYXLQF-MRXNPFEDSA-N 0 1 421.520 3.801 50 0 HHAAMN Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 ZINC000069871358 571247390 /nfs/dbraw/zinc/24/73/90/571247390.db2.gz FLCGWZMYJGYAOE-UHFFFAOYSA-N 0 1 421.520 3.659 50 0 HHAAMN Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 ZINC000069873423 571247867 /nfs/dbraw/zinc/24/78/67/571247867.db2.gz RZYOGAXKSQIAAX-UHFFFAOYSA-N 0 1 419.504 3.509 50 0 HHAAMN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000009367011 571252185 /nfs/dbraw/zinc/25/21/85/571252185.db2.gz ZTJSCORZAUCNMQ-UHFFFAOYSA-N 0 1 424.526 3.894 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009406945 571255452 /nfs/dbraw/zinc/25/54/52/571255452.db2.gz DRLYCWCWHVGUEO-LBPRGKRZSA-N 0 1 422.528 3.718 50 0 HHAAMN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009446734 571259613 /nfs/dbraw/zinc/25/96/13/571259613.db2.gz YBMMTGPAAXNDSS-WBVHZDCISA-N 0 1 423.538 3.909 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CC3)ccc2Cl)cc1 ZINC000009467883 571261266 /nfs/dbraw/zinc/26/12/66/571261266.db2.gz ZVBGDRBVDYOMBS-LBPRGKRZSA-N 0 1 408.907 3.678 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c(C)n1C ZINC000009685061 571279695 /nfs/dbraw/zinc/27/96/95/571279695.db2.gz ZCRARMIXNSVIEP-UHFFFAOYSA-N 0 1 403.548 3.686 50 0 HHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cc(C)ccc2C)c(C)n1C ZINC000009685039 571279720 /nfs/dbraw/zinc/27/97/20/571279720.db2.gz QXPATKPKTQVAIW-UHFFFAOYSA-N 0 1 403.548 3.686 50 0 HHAAMN COc1cc(OC)cc(C(=O)N(CCN(C)C)c2nc3c(cc(F)cc3F)s2)c1 ZINC000010066336 571294702 /nfs/dbraw/zinc/29/47/02/571294702.db2.gz NOWQEVYEJJLWKG-UHFFFAOYSA-N 0 1 421.469 3.800 50 0 HHAAMN CCSCCNC(=O)c1ccc(-c2cc(-c3cccc4c3OCCO4)n[nH]2)cc1 ZINC000023321405 571315462 /nfs/dbraw/zinc/31/54/62/571315462.db2.gz QUWVRRQUXXLLDC-UHFFFAOYSA-N 0 1 409.511 3.998 50 0 HHAAMN O=C1NC(=O)[C@](CCc2ccncc2)(Cc2cccs2)C(=O)N1c1ccccc1F ZINC000001131070 960458703 /nfs/dbraw/zinc/45/87/03/960458703.db2.gz UAVMQYLJECCFPH-QFIPXVFZSA-N 0 1 423.469 3.931 50 0 HHAAMN CCOC(=O)/C(C#N)=C/c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000002283390 960470639 /nfs/dbraw/zinc/47/06/39/960470639.db2.gz ZCWBEIJXBFYJQN-RCKJYZIUSA-N 0 1 401.510 3.992 50 0 HHAAMN C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1OC ZINC000008033610 961407185 /nfs/dbraw/zinc/40/71/85/961407185.db2.gz YHXJWNSJGHOAAD-LJIKRCSCSA-N 0 1 402.472 3.575 50 0 HHAAMN CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000011818938 962198032 /nfs/dbraw/zinc/19/80/32/962198032.db2.gz TYRWYAXPCFUXMI-UHFFFAOYSA-N 0 1 403.442 3.675 50 0 HHAAMN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCCCN2C)C3)s1 ZINC000011881521 962205980 /nfs/dbraw/zinc/20/59/80/962205980.db2.gz YDVFMXIQRPAVIG-WMZOPIPTSA-N 0 1 416.518 3.661 50 0 HHAAMN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2CCCCN2C)C3)s1 ZINC000011881520 962206427 /nfs/dbraw/zinc/20/64/27/962206427.db2.gz YDVFMXIQRPAVIG-FUHWJXTLSA-N 0 1 416.518 3.661 50 0 HHAAMN CSc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934585 962210845 /nfs/dbraw/zinc/21/08/45/962210845.db2.gz JGLIOQGDZYNWDO-NRFANRHFSA-N 0 1 404.530 3.965 50 0 HHAAMN CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccoc2)CC1 ZINC000011971777 962217846 /nfs/dbraw/zinc/21/78/46/962217846.db2.gz GLDIOTVSTBTAKC-QHCPKHFHSA-N 0 1 406.530 3.609 50 0 HHAAMN C[C@H](c1ccon1)N(C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012041235 962226603 /nfs/dbraw/zinc/22/66/03/962226603.db2.gz YOHOSSXKWIEJSP-HIFRSBDPSA-N 0 1 405.882 3.631 50 0 HHAAMN Cc1cc(CN(C)C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)on1 ZINC000012192361 962250891 /nfs/dbraw/zinc/25/08/91/962250891.db2.gz IYAXODDYYBYSID-UHFFFAOYSA-N 0 1 420.513 3.694 50 0 HHAAMN CC(=O)c1ccc(N2CCN([C@@H]3CCC(=O)N(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000012242859 962257331 /nfs/dbraw/zinc/25/73/31/962257331.db2.gz GMRFOSMGSFBLFH-XMMPIXPASA-N 0 1 423.532 3.732 50 0 HHAAMN O=C(NCCc1cscn1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000012304104 962268775 /nfs/dbraw/zinc/26/87/75/962268775.db2.gz OXVUYGFWSNNTBT-UHFFFAOYSA-N 0 1 422.554 3.554 50 0 HHAAMN COc1cccc(CN2CCC[C@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 ZINC000012433976 962278405 /nfs/dbraw/zinc/27/84/05/962278405.db2.gz VHPVLUDDAXPWNQ-IBGZPJMESA-N 0 1 408.477 3.619 50 0 HHAAMN Cn1cc(CN2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c(-c2ccccc2)n1 ZINC000012711240 962315331 /nfs/dbraw/zinc/31/53/31/962315331.db2.gz AMNYHIHGDBCMRK-QHCPKHFHSA-N 0 1 416.525 3.763 50 0 HHAAMN Cc1nc2sccn2c1CN1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000015065414 962645554 /nfs/dbraw/zinc/64/55/54/962645554.db2.gz DRYXOFIRMYEDQU-KRWDZBQOSA-N 0 1 420.542 3.741 50 0 HHAAMN CNC(=O)[C@@H]1C[C@H](NCc2c(F)cccc2F)CN1Cc1cccc2ccccc21 ZINC000020452970 963389195 /nfs/dbraw/zinc/38/91/95/963389195.db2.gz ARGSREXGQOFGJU-MBSDFSHPSA-N 0 1 409.480 3.597 50 0 HHAAMN CNC(=O)c1ccc(/C=C\C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000098004780 969185438 /nfs/dbraw/zinc/18/54/38/969185438.db2.gz KDOQLXWKEQXRMJ-NZIDHHNMSA-N 0 1 411.933 3.666 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](Cc2noc(-c3cccnc3)n2)C1 ZINC000169771128 970476263 /nfs/dbraw/zinc/47/62/63/970476263.db2.gz HBWJCBHAKNSMSP-MRXNPFEDSA-N 0 1 414.469 3.617 50 0 HHAAMN Cc1cnc(CO[C@H]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)C2)n1C ZINC000257176773 970617681 /nfs/dbraw/zinc/61/76/81/970617681.db2.gz URLBUUUQCLPWSR-KRWDZBQOSA-N 0 1 413.909 3.593 50 0 HHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2 ZINC000006779548 132315866 /nfs/dbraw/zinc/31/58/66/132315866.db2.gz CQCWHAIQUAFWFN-CYBMUJFWSA-N 0 1 406.529 3.652 50 0 HHAAMN CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O ZINC000009434008 132339911 /nfs/dbraw/zinc/33/99/11/132339911.db2.gz KCCDTMBHJMQXMR-QHCPKHFHSA-N 0 1 419.868 3.755 50 0 HHAAMN Cc1c(C(=O)Nc2ccc(Cl)cc2C)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048315 132501480 /nfs/dbraw/zinc/50/14/80/132501480.db2.gz ZKVLNIOYCHVYHR-UHFFFAOYSA-N 0 1 415.950 3.966 50 0 HHAAMN CCOc1ccccc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000031815028 521533814 /nfs/dbraw/zinc/53/38/14/521533814.db2.gz QXTZLYGWGJSUCQ-HNNXBMFYSA-N 0 1 411.849 3.519 50 0 HHAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000040287125 521869027 /nfs/dbraw/zinc/86/90/27/521869027.db2.gz GWKSTFXKMYIMGV-FQEVSTJZSA-N 0 1 424.432 3.524 50 0 HHAAMN COc1cccc([C@H](CNC(=O)c2cnn(-c3ccccc3F)c2C)N2CCCC2)c1 ZINC000032903433 524161696 /nfs/dbraw/zinc/16/16/96/524161696.db2.gz YDZPDTPNLKDNBF-QHCPKHFHSA-N 0 1 422.504 3.895 50 0 HHAAMN C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Cl)c1)n1cccn1 ZINC000032600408 524271747 /nfs/dbraw/zinc/27/17/47/524271747.db2.gz ODJKHHJEFOOKNC-ZDUSSCGKSA-N 0 1 404.879 3.537 50 0 HHAAMN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000851340 557101104 /nfs/dbraw/zinc/10/11/04/557101104.db2.gz RRHHHKDCFKAYHL-NYYWCZLTSA-N 0 1 414.874 3.583 50 0 HHAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000001144067 557206408 /nfs/dbraw/zinc/20/64/08/557206408.db2.gz SXEQGMLSHXCSIS-UHFFFAOYSA-N 0 1 404.271 3.980 50 0 HHAAMN O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002757078 557380464 /nfs/dbraw/zinc/38/04/64/557380464.db2.gz UPNCJAGKAHYGAH-VXKWHMMOSA-N 0 1 404.510 3.587 50 0 HHAAMN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002846382 557402720 /nfs/dbraw/zinc/40/27/20/557402720.db2.gz CYXFVRYKHFSZQY-UHFFFAOYSA-N 0 1 403.851 3.575 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(CCCO)C3=O)cc1C ZINC000004809695 557600019 /nfs/dbraw/zinc/60/00/19/557600019.db2.gz QBVPVHRROMHRFS-OAQYLSRUSA-N 0 1 411.889 3.980 50 0 HHAAMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000006603387 557709943 /nfs/dbraw/zinc/70/99/43/557709943.db2.gz UOBOPVQCCLTLKH-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN COc1ccc(-c2cc(C(=O)NCCSCc3ccc(CN(C)C)o3)no2)cc1 ZINC000022668849 557735745 /nfs/dbraw/zinc/73/57/45/557735745.db2.gz APEOURLKLQRTSU-UHFFFAOYSA-N 0 1 415.515 3.668 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000022794325 557822139 /nfs/dbraw/zinc/82/21/39/557822139.db2.gz FPZHZZRLSYEUAN-HSZRJFAPSA-N 0 1 409.574 3.711 50 0 HHAAMN Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@@H]2c1ccccc1 ZINC000009287510 557834242 /nfs/dbraw/zinc/83/42/42/557834242.db2.gz XGFDOSCJZDUNBE-QHCPKHFHSA-N 0 1 413.525 3.835 50 0 HHAAMN CCCCC(=O)N[C@](Nc1nc2ccc(F)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009320679 557836582 /nfs/dbraw/zinc/83/65/82/557836582.db2.gz LXCHKJVKUPIUAL-INIZCTEOSA-N 0 1 421.416 3.975 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000011664413 558267882 /nfs/dbraw/zinc/26/78/82/558267882.db2.gz AAZJATQPSYZFEN-QHCPKHFHSA-N 0 1 411.452 3.812 50 0 HHAAMN O=C(NC[C@@H]1CCC2(CCN(Cc3nc4ccccc4[nH]3)CC2)O1)c1ccccc1 ZINC000011784694 558275537 /nfs/dbraw/zinc/27/55/37/558275537.db2.gz PHRWWDLORJYRHP-IBGZPJMESA-N 0 1 404.514 3.507 50 0 HHAAMN COCCNC(=O)c1cccc(OC2CCN(C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000011818641 558281847 /nfs/dbraw/zinc/28/18/47/558281847.db2.gz HKRMKVGHVNMDAU-ONEGZZNKSA-N 0 1 412.505 3.759 50 0 HHAAMN NC(=O)CCN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 ZINC000019801823 558285581 /nfs/dbraw/zinc/28/55/81/558285581.db2.gz YTRZDTTZCDSVOR-GOSISDBHSA-N 0 1 419.953 3.721 50 0 HHAAMN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000011957631 558303745 /nfs/dbraw/zinc/30/37/45/558303745.db2.gz AGFAQAJHGMIHIO-QFIPXVFZSA-N 0 1 419.953 3.996 50 0 HHAAMN O=c1cc(C(F)(F)F)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019991945 558317616 /nfs/dbraw/zinc/31/76/16/558317616.db2.gz XNJCBZYOBFNUCU-UHFFFAOYSA-N 0 1 414.431 3.700 50 0 HHAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(C)o3)CC2)c(Cl)c1 ZINC000012072780 558317979 /nfs/dbraw/zinc/31/79/79/558317979.db2.gz VXHNQAPABVSVEW-UHFFFAOYSA-N 0 1 406.910 3.661 50 0 HHAAMN COc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)cc1O ZINC000012155246 558340020 /nfs/dbraw/zinc/34/00/20/558340020.db2.gz XUYKVBYVNQAOLX-OAQYLSRUSA-N 0 1 408.542 3.752 50 0 HHAAMN O[C@@H](COc1ccc(F)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421516 558361929 /nfs/dbraw/zinc/36/19/29/558361929.db2.gz YGNJSKJVZZPYPP-XMMPIXPASA-N 0 1 420.528 3.973 50 0 HHAAMN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)C[C@@H]1COCCO1 ZINC000012835388 558477831 /nfs/dbraw/zinc/47/78/31/558477831.db2.gz WMUZQIPZKREFMR-LJQANCHMSA-N 0 1 413.468 3.973 50 0 HHAAMN Cc1ccc2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(=O)n2c1 ZINC000022782802 558510183 /nfs/dbraw/zinc/51/01/83/558510183.db2.gz PUPOZCWMJSTBAX-UHFFFAOYSA-N 0 1 424.548 3.910 50 0 HHAAMN O=C(CN1CCN(Cc2cccc3ccccc32)CC1)N1CCC(c2ccccc2)=N1 ZINC000022786109 558511064 /nfs/dbraw/zinc/51/10/64/558511064.db2.gz UGXYHWYSTGNJNX-UHFFFAOYSA-N 0 1 412.537 3.594 50 0 HHAAMN Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)n1 ZINC000022932694 558524913 /nfs/dbraw/zinc/52/49/13/558524913.db2.gz VSPBXXAVMJANBD-DEOSSOPVSA-N 0 1 422.548 3.697 50 0 HHAAMN CCN1CCN(CC(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)CC1 ZINC000023374853 558554569 /nfs/dbraw/zinc/55/45/69/558554569.db2.gz VVPMGDOOYXWVFF-UHFFFAOYSA-N 0 1 408.521 3.536 50 0 HHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023718917 558570437 /nfs/dbraw/zinc/57/04/37/558570437.db2.gz FRWHTMJXZZEQFH-HXUWFJFHSA-N 0 1 416.953 3.597 50 0 HHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F ZINC000025861900 558651448 /nfs/dbraw/zinc/65/14/48/558651448.db2.gz JKHNEAUIPHELPL-UHFFFAOYSA-N 0 1 420.326 3.530 50 0 HHAAMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000026299711 558658604 /nfs/dbraw/zinc/65/86/04/558658604.db2.gz ZIXHHZJJVCNDCX-FDDCHVKYSA-N 0 1 403.530 3.796 50 0 HHAAMN CCN1C(=O)N(CCC(C)C)C2(CCN(C/C=C/c3ccccc3OC)CC2)C1=O ZINC000014750104 558670546 /nfs/dbraw/zinc/67/05/46/558670546.db2.gz KXUQZBMLGDZTNX-CSKARUKUSA-N 0 1 413.562 3.873 50 0 HHAAMN COc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1 ZINC000014956770 558682667 /nfs/dbraw/zinc/68/26/67/558682667.db2.gz FOMPIYRXAGQVCI-JOCHJYFZSA-N 0 1 408.542 3.824 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2F)N2CCCCC2)cc1 ZINC000027794321 558682868 /nfs/dbraw/zinc/68/28/68/558682868.db2.gz KUGQEVHCUDJCHY-LAUBAEHRSA-N 0 1 400.494 3.945 50 0 HHAAMN COc1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cc(OC)c1 ZINC000014972455 558687801 /nfs/dbraw/zinc/68/78/01/558687801.db2.gz JVYRGEGVOORBEB-UHFFFAOYSA-N 0 1 420.513 3.990 50 0 HHAAMN O=C(CCc1nnc(-c2ccsc2)o1)N1CCCN(Cc2cccs2)CC1 ZINC000028036867 558689817 /nfs/dbraw/zinc/68/98/17/558689817.db2.gz ZQQPBXQHLFLZCT-UHFFFAOYSA-N 0 1 402.545 3.527 50 0 HHAAMN C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cc2NC1=O ZINC000028810687 558704996 /nfs/dbraw/zinc/70/49/96/558704996.db2.gz STJYRXAKZWLBAQ-QMMMGPOBSA-N 0 1 420.796 3.879 50 0 HHAAMN CCN(CC)[C@@H](C(=O)NCc1ccc(NC(N)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000072284285 558715856 /nfs/dbraw/zinc/71/58/56/558715856.db2.gz HKNVTIYEPBTYHM-GOSISDBHSA-N 0 1 422.451 3.895 50 0 HHAAMN COc1cc(C[C@@H]2CC(CNCc3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081378 558718996 /nfs/dbraw/zinc/71/89/96/558718996.db2.gz KSIGJMIVEPCDIA-QGZVFWFLSA-N 0 1 418.877 3.563 50 0 HHAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000004556307 558725538 /nfs/dbraw/zinc/72/55/38/558725538.db2.gz RPMKWVKRDFMHHW-SFHVURJKSA-N 0 1 403.504 3.581 50 0 HHAAMN COc1cc(OC)c(OC)cc1CNCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000030545418 558732379 /nfs/dbraw/zinc/73/23/79/558732379.db2.gz CTAQXMWJBOVOSU-UHFFFAOYSA-N 0 1 424.497 3.985 50 0 HHAAMN O=C(c1ccco1)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265676 558735606 /nfs/dbraw/zinc/73/56/06/558735606.db2.gz JPQUUYVHJMEBAF-QHCPKHFHSA-N 0 1 401.470 3.595 50 0 biogenic HHAAMN COc1cc(/C=C/C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc(OC)c1OC ZINC000015477249 558740786 /nfs/dbraw/zinc/74/07/86/558740786.db2.gz DXBYMFMFECDJJG-QZEKMECESA-N 0 1 414.502 3.662 50 0 HHAAMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000015679390 558748826 /nfs/dbraw/zinc/74/88/26/558748826.db2.gz FSTZMZYJXIEXDZ-UHFFFAOYSA-N 0 1 417.351 3.930 50 0 HHAAMN CCCOc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004580658 558766739 /nfs/dbraw/zinc/76/67/39/558766739.db2.gz ORJFYUPREGGLMN-UHFFFAOYSA-N 0 1 418.603 3.751 50 0 HHAAMN CN(Cc1ccccc1Cl)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000072309745 558773979 /nfs/dbraw/zinc/77/39/79/558773979.db2.gz ZYVPAJLTKFKFDH-UHFFFAOYSA-N 0 1 416.953 3.630 50 0 HHAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc4c(c3)OCCO4)sc2cc1C ZINC000004586162 558782021 /nfs/dbraw/zinc/78/20/21/558782021.db2.gz BSDISBRCAKWDFS-UHFFFAOYSA-N 0 1 411.527 3.893 50 0 HHAAMN O=C(NCc1ccccc1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071258 558866639 /nfs/dbraw/zinc/86/66/39/558866639.db2.gz MEZJPOVUDBHGAZ-OAHLLOKOSA-N 0 1 413.319 3.858 50 0 HHAAMN Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055042136 558870471 /nfs/dbraw/zinc/87/04/71/558870471.db2.gz PVJIDBIDJUTCTG-XMMPIXPASA-N 0 1 409.549 3.880 50 0 HHAAMN CN(Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000055326978 558879375 /nfs/dbraw/zinc/87/93/75/558879375.db2.gz BATCCVLRBAYAMG-UHFFFAOYSA-N 0 1 405.542 3.561 50 0 HHAAMN CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000058156825 558903072 /nfs/dbraw/zinc/90/30/72/558903072.db2.gz YBJGCQWVLCWBHW-UHFFFAOYSA-N 0 1 404.514 3.716 50 0 HHAAMN COc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1I ZINC000058160710 558905373 /nfs/dbraw/zinc/90/53/73/558905373.db2.gz ZVHABDXESJHHNY-LBPRGKRZSA-N 0 1 410.255 3.589 50 0 HHAAMN CN(C)[C@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1cccs1 ZINC000058162097 558906151 /nfs/dbraw/zinc/90/61/51/558906151.db2.gz MWXQYHQTPHDMHO-OAHLLOKOSA-N 0 1 424.452 3.772 50 0 HHAAMN COc1cc(Br)c(CN2CCN(Cc3ccccc3)CC2)cc1OC ZINC000019609066 558946915 /nfs/dbraw/zinc/94/69/15/558946915.db2.gz YVQXLUFOXHPKBN-UHFFFAOYSA-N 0 1 405.336 3.784 50 0 HHAAMN CCc1cccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1 ZINC000065365839 558976639 /nfs/dbraw/zinc/97/66/39/558976639.db2.gz QAMFZCJTAACNPO-UHFFFAOYSA-N 0 1 408.550 3.692 50 0 HHAAMN O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000067601849 558987554 /nfs/dbraw/zinc/98/75/54/558987554.db2.gz GHGSHTKCOFKISR-UHFFFAOYSA-N 0 1 416.934 3.980 50 0 HHAAMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2cc(Cl)cc3c2OCC3)CC1 ZINC000097117241 558996121 /nfs/dbraw/zinc/99/61/21/558996121.db2.gz PJXMWHDROYUNSF-UHFFFAOYSA-N 0 1 406.935 3.564 50 0 HHAAMN O[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023114563 559012586 /nfs/dbraw/zinc/01/25/86/559012586.db2.gz NFTBHWHEEJLRLO-SCBMRQJBSA-N 0 1 404.982 3.808 50 0 HHAAMN Cc1ccccc1Sc1nccnc1SCC(=O)NCCN1CCCCC1 ZINC000033288973 559044450 /nfs/dbraw/zinc/04/44/50/559044450.db2.gz MCAQZYUDNOJPJM-UHFFFAOYSA-N 0 1 402.589 3.630 50 0 HHAAMN Cc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@@]3(O)C(F)(F)F)n[nH]2)c(C)c1 ZINC000033327073 559059672 /nfs/dbraw/zinc/05/96/72/559059672.db2.gz NQZXPVCBMDQAAV-AUUYWEPGSA-N 0 1 406.408 3.946 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C)[nH]1)C[C@H](C)CC2 ZINC000011658414 559124218 /nfs/dbraw/zinc/12/42/18/559124218.db2.gz LKELMTASKYKBDI-NXEZZACHSA-N 0 1 408.549 3.595 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc(C)n[nH]1)C[C@H](C)CC2 ZINC000011658414 559124219 /nfs/dbraw/zinc/12/42/19/559124219.db2.gz LKELMTASKYKBDI-NXEZZACHSA-N 0 1 408.549 3.595 50 0 HHAAMN COc1ccc(NC(=O)COc2coc(CN3CCCCCC3)cc2=O)cc1Cl ZINC000072405072 559190925 /nfs/dbraw/zinc/19/09/25/559190925.db2.gz FIUJJLIXOVFARV-UHFFFAOYSA-N 0 1 420.893 3.695 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000004865489 559193793 /nfs/dbraw/zinc/19/37/93/559193793.db2.gz CVECFGFIMQQLRT-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN COCCCNC(=O)CSc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1 ZINC000004927890 559208262 /nfs/dbraw/zinc/20/82/62/559208262.db2.gz AZGNYLZAPCWHMA-UHFFFAOYSA-N 0 1 411.527 3.997 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4CCCCC4)c3=O)c2c1 ZINC000004951540 559215830 /nfs/dbraw/zinc/21/58/30/559215830.db2.gz ADXNDIMEAHPUMX-UHFFFAOYSA-N 0 1 414.531 3.732 50 0 HHAAMN CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(C)cc3)[nH]c2=O)cc1 ZINC000005082051 559242686 /nfs/dbraw/zinc/24/26/86/559242686.db2.gz BAASGJPUDTUANV-UHFFFAOYSA-N 0 1 410.499 3.604 50 0 HHAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 ZINC000005164251 559275801 /nfs/dbraw/zinc/27/58/01/559275801.db2.gz ZVKBSENSURYYII-JRFVFWCSSA-N 0 1 400.563 3.812 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)N(CCCO)C3=O)cc1Cl ZINC000005342540 560568018 /nfs/dbraw/zinc/56/80/18/560568018.db2.gz KGFJEVHCQASJMH-HXUWFJFHSA-N 0 1 415.852 3.811 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cncn2-c2ccc(F)cc2)N2CCCC2)cc1 ZINC000017911670 560730522 /nfs/dbraw/zinc/73/05/22/560730522.db2.gz YOQFJCPYDCHIDH-OAQYLSRUSA-N 0 1 408.477 3.587 50 0 HHAAMN O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1-c1ccccc1C(F)(F)F ZINC000005706325 560801259 /nfs/dbraw/zinc/80/12/59/560801259.db2.gz IBCBBTNSMHLWNE-UHFFFAOYSA-N 0 1 403.389 3.707 50 0 HHAAMN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1C ZINC000085690456 560853128 /nfs/dbraw/zinc/85/31/28/560853128.db2.gz DBDYHJUKTXKJSV-GOSISDBHSA-N 0 1 403.486 3.579 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690539 560853189 /nfs/dbraw/zinc/85/31/89/560853189.db2.gz OVUAHZHRNCPSOF-SFHVURJKSA-N 0 1 403.486 3.579 50 0 HHAAMN CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cccs1 ZINC000047588558 560892695 /nfs/dbraw/zinc/89/26/95/560892695.db2.gz GODQZBNFFDDDHB-MRXNPFEDSA-N 0 1 406.939 3.718 50 0 HHAAMN Cc1ccc(OCCC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000048289093 568434900 /nfs/dbraw/zinc/43/49/00/568434900.db2.gz KAWROSRJAQBXGN-SFTDATJTSA-N 0 1 410.558 3.998 50 0 HHAAMN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000049006118 568444663 /nfs/dbraw/zinc/44/46/63/568444663.db2.gz BOAQTEXDLHURAF-UHFFFAOYSA-N 0 1 403.527 3.820 50 0 HHAAMN O=C(CCC1CCCC1)NC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000049406542 568448895 /nfs/dbraw/zinc/44/88/95/568448895.db2.gz RHKDSOOCKWFKNK-UHFFFAOYSA-N 0 1 400.548 3.829 50 0 HHAAMN Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccccc3C)[nH]n2)CC1 ZINC000049406839 568449030 /nfs/dbraw/zinc/44/90/30/568449030.db2.gz OYVKHMAUKRHVHX-UHFFFAOYSA-N 0 1 402.498 3.728 50 0 HHAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743316 568459091 /nfs/dbraw/zinc/45/90/91/568459091.db2.gz FJNHYAATGHNCFU-OAQYLSRUSA-N 0 1 409.511 3.659 50 0 HHAAMN CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000020516073 568623700 /nfs/dbraw/zinc/62/37/00/568623700.db2.gz REYHLRLBPNQCKF-LLVKDONJSA-N 0 1 414.405 3.640 50 0 HHAAMN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(N(CC)CC)cc1C ZINC000020940550 568652666 /nfs/dbraw/zinc/65/26/66/568652666.db2.gz VPGNYTQPAIBJQX-UHFFFAOYSA-N 0 1 407.536 3.764 50 0 HHAAMN COc1cc(NC(=O)c2cc(Br)cc3nc[nH]c32)ccc1NC(C)=O ZINC000225726267 568668266 /nfs/dbraw/zinc/66/82/66/568668266.db2.gz IJJWTNJTWQYPJL-UHFFFAOYSA-N 0 1 403.236 3.545 50 0 HHAAMN Oc1ccc([C@](O)(Cc2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000021170157 568676053 /nfs/dbraw/zinc/67/60/53/568676053.db2.gz KUHATIPKCXBPFU-CLJLJLNGSA-N 0 1 403.522 3.939 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)Nc2ccc3ncn(CC(C)C)c(=O)c3c2)[nH]n1 ZINC000096118781 568698394 /nfs/dbraw/zinc/69/83/94/568698394.db2.gz RRVPNMSXJKMTAE-UHFFFAOYSA-N 0 1 417.469 3.704 50 0 HHAAMN CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000229979033 568716275 /nfs/dbraw/zinc/71/62/75/568716275.db2.gz PUNHDKQWQBPEAM-QAPCUYQASA-N 0 1 403.573 3.723 50 0 HHAAMN CC(C)(O)[C@@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000229979033 568716277 /nfs/dbraw/zinc/71/62/77/568716277.db2.gz PUNHDKQWQBPEAM-QAPCUYQASA-N 0 1 403.573 3.723 50 0 HHAAMN COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000239358362 568729031 /nfs/dbraw/zinc/72/90/31/568729031.db2.gz NCPYNQDHIIBZIX-MDAIXWLXSA-N 0 1 404.595 3.656 50 0 HHAAMN Cc1cc(C)c(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c(C)c1 ZINC000096324588 568733923 /nfs/dbraw/zinc/73/39/23/568733923.db2.gz QMENRFVJKOIJII-UHFFFAOYSA-N 0 1 417.513 3.888 50 0 HHAAMN CCc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096324567 568734036 /nfs/dbraw/zinc/73/40/36/568734036.db2.gz JVZNMSDEAYLODD-UHFFFAOYSA-N 0 1 403.486 3.525 50 0 HHAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1Cl ZINC000096324756 568734246 /nfs/dbraw/zinc/73/42/46/568734246.db2.gz YTQQDLQREZWVRI-MRXNPFEDSA-N 0 1 423.904 3.924 50 0 HHAAMN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000096379574 568741193 /nfs/dbraw/zinc/74/11/93/568741193.db2.gz OAOVAUAMNSLUBP-UHFFFAOYSA-N 0 1 416.381 3.689 50 0 HHAAMN O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1)c1cccs1 ZINC000096400026 568749222 /nfs/dbraw/zinc/74/92/22/568749222.db2.gz PWTVRKYJXGGZLX-UHFFFAOYSA-N 0 1 414.918 3.826 50 0 HHAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCc1ccc(F)cc1 ZINC000002634223 568791634 /nfs/dbraw/zinc/79/16/34/568791634.db2.gz YSBWADQTYCUIBR-UHFFFAOYSA-N 0 1 421.295 3.782 50 0 HHAAMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000057378670 568830242 /nfs/dbraw/zinc/83/02/42/568830242.db2.gz IFVKGSUVXLKMSV-RBUKOAKNSA-N 0 1 407.558 3.976 50 0 HHAAMN O=C(CCCn1c(=O)c2ccccc2[nH]c1=S)NCCc1ccc(Cl)cc1 ZINC000002971798 568831912 /nfs/dbraw/zinc/83/19/12/568831912.db2.gz BMGUGSLKZSWSMB-UHFFFAOYSA-N 0 1 401.919 3.852 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC000012526308 568843235 /nfs/dbraw/zinc/84/32/35/568843235.db2.gz VQOIFVZCGRBPKL-UHFFFAOYSA-N 0 1 410.495 3.768 50 0 HHAAMN COc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1N1CCCC1=O ZINC000012536086 568845467 /nfs/dbraw/zinc/84/54/67/568845467.db2.gz MEIYROVXYVQUMY-UHFFFAOYSA-N 0 1 415.298 3.930 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)N2CCCCC2)cc1 ZINC000030511804 568868332 /nfs/dbraw/zinc/86/83/32/568868332.db2.gz WJLACUOAAIEDDQ-HSZRJFAPSA-N 0 1 404.514 3.838 50 0 HHAAMN C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000299774290 568874622 /nfs/dbraw/zinc/87/46/22/568874622.db2.gz BOUJPUUIMYBWQU-KRWDZBQOSA-N 0 1 422.529 3.711 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C)N[C@]12C(=O)Nc1c2cccc1Cl ZINC000059488012 568956572 /nfs/dbraw/zinc/95/65/72/568956572.db2.gz TXDPUOBNDFYVIE-YVKATFEGSA-N 0 1 420.296 3.786 50 0 biogenic HHAAMN CC(=O)Nc1cccc(S(=O)(=O)N[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c1 ZINC000670469271 568979138 /nfs/dbraw/zinc/97/91/38/568979138.db2.gz JFXLNQZZCYAPHJ-LJQANCHMSA-N 0 1 400.504 3.505 50 0 HHAAMN COC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000008213128 568982666 /nfs/dbraw/zinc/98/26/66/568982666.db2.gz NGEQJEPUBVEMDW-UHFFFAOYSA-N 0 1 405.498 3.933 50 0 HHAAMN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000008374043 568995696 /nfs/dbraw/zinc/99/56/96/568995696.db2.gz HLXDNXWBZSUKES-IBGZPJMESA-N 0 1 412.873 3.562 50 0 HHAAMN CCOc1ccc2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)[nH]c2c1 ZINC000008425080 569002005 /nfs/dbraw/zinc/00/20/05/569002005.db2.gz XAJMNLGYWWOJKS-CYBMUJFWSA-N 0 1 410.499 3.818 50 0 HHAAMN O=C(NC[C@@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)NC1CCCCC1 ZINC000038628413 569003777 /nfs/dbraw/zinc/00/37/77/569003777.db2.gz MZUOQMPONHUFRJ-DEOSSOPVSA-N 0 1 421.589 3.572 50 0 HHAAMN Cc1ccc(CN2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)cc1 ZINC000104384300 569008540 /nfs/dbraw/zinc/00/85/40/569008540.db2.gz XOHCTIZHLXLAPZ-JOCHJYFZSA-N 0 1 424.976 3.903 50 0 HHAAMN C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C[C@H]2CCO)CC1 ZINC000106685781 569009177 /nfs/dbraw/zinc/00/91/77/569009177.db2.gz IQZPLNCCQZCVQM-OAQYLSRUSA-N 0 1 417.981 3.563 50 0 HHAAMN CC(C)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012865549 569012149 /nfs/dbraw/zinc/01/21/49/569012149.db2.gz GATPCLBCTFRLKD-AUSIDOKSSA-N 0 1 411.521 3.990 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccccc2F)c1 ZINC000006316903 569040308 /nfs/dbraw/zinc/04/03/08/569040308.db2.gz SOKQGEPRJOQRQE-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000239672630 569054445 /nfs/dbraw/zinc/05/44/45/569054445.db2.gz BUIGRYTWMJQJQY-BXWFABGCSA-N 0 1 418.559 3.531 50 0 HHAAMN CCc1n[nH]c(=O)c(CNCc2c(C)nn(Cc3ccccc3Cl)c2C)c1CC ZINC000089282570 569056450 /nfs/dbraw/zinc/05/64/50/569056450.db2.gz JEQTXNANOKTKPT-UHFFFAOYSA-N 0 1 413.953 3.700 50 0 HHAAMN C[C@H](C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)N1CCCCCC1 ZINC000089448653 569060581 /nfs/dbraw/zinc/06/05/81/569060581.db2.gz PIEZLAUTRCTMJL-QZTJIDSGSA-N 0 1 404.555 3.851 50 0 HHAAMN CCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000035829519 569061865 /nfs/dbraw/zinc/06/18/65/569061865.db2.gz GDWIRXABLNZBTB-ODLFYWEKSA-N 0 1 424.407 3.511 50 0 HHAAMN CCCCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589775 569069074 /nfs/dbraw/zinc/06/90/74/569069074.db2.gz HRIJIQNAYVRAIN-UHFFFAOYSA-N 0 1 413.493 3.975 50 0 HHAAMN CC(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589836 569069102 /nfs/dbraw/zinc/06/91/02/569069102.db2.gz JWCIYACPGAECPT-UHFFFAOYSA-N 0 1 413.493 3.831 50 0 HHAAMN COc1ccc(NC(=O)NCCCN2CCN(c3ccc(SC)cc3)CC2)cc1 ZINC000005069310 569071708 /nfs/dbraw/zinc/07/17/08/569071708.db2.gz AECYRFYLCGUJJB-UHFFFAOYSA-N 0 1 414.575 3.751 50 0 HHAAMN CCCC(=O)OC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096038 569090094 /nfs/dbraw/zinc/09/00/94/569090094.db2.gz LZJPQKCSYHUARK-FQEVSTJZSA-N 0 1 419.493 3.549 50 0 HHAAMN CCN(CC)CC(=O)Nc1c(C(=O)OC)sc2nc(C)c3c(c21)CC(C)(C)OC3 ZINC000006719183 569097767 /nfs/dbraw/zinc/09/77/67/569097767.db2.gz OLNTVVXCSUELEH-UHFFFAOYSA-N 0 1 419.547 3.523 50 0 HHAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000006752783 569111258 /nfs/dbraw/zinc/11/12/58/569111258.db2.gz NLZQNXVZBSBRCQ-JOCHJYFZSA-N 0 1 417.421 3.835 50 0 HHAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCO)c1 ZINC000006753203 569111795 /nfs/dbraw/zinc/11/17/95/569111795.db2.gz JMUKXABDWKUGBJ-HSZRJFAPSA-N 0 1 421.497 3.807 50 0 HHAAMN Cc1ccc(Cc2nc(CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000064969625 569138494 /nfs/dbraw/zinc/13/84/94/569138494.db2.gz BEDCSHSLTQVRAW-UHFFFAOYSA-N 0 1 412.559 3.522 50 0 HHAAMN Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(C[C@@H](C)O)CC1 ZINC000036340150 569141460 /nfs/dbraw/zinc/14/14/60/569141460.db2.gz DICVMSDDBSCXQE-HXUWFJFHSA-N 0 1 416.569 3.854 50 0 HHAAMN CC1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341830 569141681 /nfs/dbraw/zinc/14/16/81/569141681.db2.gz OQHGQKUKNJQEQG-OAQYLSRUSA-N 0 1 423.488 3.964 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2C)CC1 ZINC000036344972 569143053 /nfs/dbraw/zinc/14/30/53/569143053.db2.gz TZAOOWOHRYAEDP-RUZDIDTESA-N 0 1 418.585 3.927 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866713 569158935 /nfs/dbraw/zinc/15/89/35/569158935.db2.gz KVGTUKGXIBRMRY-GFCCVEGCSA-N 0 1 420.918 3.837 50 0 HHAAMN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000006909877 569178940 /nfs/dbraw/zinc/17/89/40/569178940.db2.gz ODTGBCKGDDKPHO-UHFFFAOYSA-N 0 1 402.451 3.707 50 0 HHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000065116076 569179652 /nfs/dbraw/zinc/17/96/52/569179652.db2.gz LXLXXVDKEKNASJ-UHFFFAOYSA-N 0 1 415.471 3.726 50 0 HHAAMN O=C(c1cc(-c2nc3ccccc3c(=O)[nH]2)n(C[C@H]2CCCO2)c1)c1ccccc1O ZINC000010024985 569252784 /nfs/dbraw/zinc/25/27/84/569252784.db2.gz CTSYYEPKHUSJOI-MRXNPFEDSA-N 0 1 415.449 3.507 50 0 HHAAMN O=C(c1cc(-c2nc3ccccc3c(=O)[nH]2)n(C[C@@H]2CCCO2)c1)c1ccccc1O ZINC000010024949 569252841 /nfs/dbraw/zinc/25/28/41/569252841.db2.gz CTSYYEPKHUSJOI-INIZCTEOSA-N 0 1 415.449 3.507 50 0 HHAAMN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2[nH]nnc2c1 ZINC000014503150 569260129 /nfs/dbraw/zinc/26/01/29/569260129.db2.gz VAVHQCJCVMBXDE-UHFFFAOYSA-N 0 1 408.465 3.800 50 0 HHAAMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(Cl)c1 ZINC000089616684 569261249 /nfs/dbraw/zinc/26/12/49/569261249.db2.gz MPOOPYMXUFVCDF-INIZCTEOSA-N 0 1 402.907 3.959 50 0 HHAAMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000089616684 569261250 /nfs/dbraw/zinc/26/12/50/569261250.db2.gz MPOOPYMXUFVCDF-INIZCTEOSA-N 0 1 402.907 3.959 50 0 HHAAMN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000089869486 569267558 /nfs/dbraw/zinc/26/75/58/569267558.db2.gz PLKOQWQBZZYRIT-UHFFFAOYSA-N 0 1 422.457 3.782 50 0 HHAAMN CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)c2cc(C(C)C)[nH]n2)[nH]n1 ZINC000089893305 569267866 /nfs/dbraw/zinc/26/78/66/569267866.db2.gz GAEBHYBXIUFOEG-WOJBJXKFSA-N 0 1 414.554 3.535 50 0 HHAAMN CC(C)(CC(=O)NCCCc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000017112964 569274950 /nfs/dbraw/zinc/27/49/50/569274950.db2.gz WSTJYGJOXFLVMR-UHFFFAOYSA-N 0 1 413.543 3.564 50 0 HHAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)c21 ZINC000002260086 569324958 /nfs/dbraw/zinc/32/49/58/569324958.db2.gz QULKUUWSBDULNO-HUUCEWRRSA-N 0 1 415.534 3.588 50 0 HHAAMN CC(C)Oc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000002417851 569397510 /nfs/dbraw/zinc/39/75/10/569397510.db2.gz IVANQYYXDUESFW-OAQYLSRUSA-N 0 1 406.482 3.687 50 0 HHAAMN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000011990518 569399296 /nfs/dbraw/zinc/39/92/96/569399296.db2.gz YGRIUXIRCPCQKE-UHFFFAOYSA-N 0 1 424.526 3.774 50 0 HHAAMN CN(C)CCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419504 569401089 /nfs/dbraw/zinc/40/10/89/569401089.db2.gz VULTZTDYDVKQHA-UHFFFAOYSA-N 0 1 409.895 3.784 50 0 HHAAMN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000002454256 569409528 /nfs/dbraw/zinc/40/95/28/569409528.db2.gz GFFODZUIKWXLQE-GASCZTMLSA-N 0 1 401.507 3.660 50 0 HHAAMN Cc1ccc([C@@H](CC(=O)[O-])Nc2nc(N3CCCCC3)nc(N3CCCCC3)[nH+]2)cc1 ZINC000019804657 569430452 /nfs/dbraw/zinc/43/04/52/569430452.db2.gz WGLAIGWPGUCUNX-LJQANCHMSA-N 0 1 424.549 3.789 50 0 HHAAMN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000008549480 571077899 /nfs/dbraw/zinc/07/78/99/571077899.db2.gz KFNSIXGYIONWMI-NRFANRHFSA-N 0 1 406.482 3.525 50 0 HHAAMN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000008549535 571077935 /nfs/dbraw/zinc/07/79/35/571077935.db2.gz SOKWOKBIQRIPEU-OAQYLSRUSA-N 0 1 406.482 3.525 50 0 HHAAMN [O-][C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777808 571118064 /nfs/dbraw/zinc/11/80/64/571118064.db2.gz ZKMAAHHVFDJQII-SCLBCKFNSA-N 0 1 418.400 3.689 50 0 HHAAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008893075 571142653 /nfs/dbraw/zinc/14/26/53/571142653.db2.gz OWKKQROSBHJZEX-LJQANCHMSA-N 0 1 415.559 3.737 50 0 HHAAMN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008892877 571142848 /nfs/dbraw/zinc/14/28/48/571142848.db2.gz RQZSBVWIXSNQNZ-IBGZPJMESA-N 0 1 419.978 3.751 50 0 HHAAMN O=C(CCNC(=O)c1ccco1)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000040146856 571196719 /nfs/dbraw/zinc/19/67/19/571196719.db2.gz RAUDCLRHMKNVKM-UHFFFAOYSA-N 0 1 410.380 3.860 50 0 HHAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3cccc(O)c3)c2c1 ZINC000008992729 571207636 /nfs/dbraw/zinc/20/76/36/571207636.db2.gz XRDBUEQSZPTOPC-JOCHJYFZSA-N 0 1 402.454 3.702 50 0 HHAAMN CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2cccc(F)c2)C3)c1C ZINC000069656418 571236968 /nfs/dbraw/zinc/23/69/68/571236968.db2.gz GWMBZVPGFRLXLJ-MRXNPFEDSA-N 0 1 421.520 3.801 50 0 HHAAMN CCc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000009378342 571253343 /nfs/dbraw/zinc/25/33/43/571253343.db2.gz TVGHWPHTXUYGTA-QHCPKHFHSA-N 0 1 420.557 3.951 50 0 HHAAMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000009378633 571253507 /nfs/dbraw/zinc/25/35/07/571253507.db2.gz GCFAKUABVICDRM-UHFFFAOYSA-N 0 1 414.434 3.786 50 0 HHAAMN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(Cc2ccoc2)CC1 ZINC000011971782 962217764 /nfs/dbraw/zinc/21/77/64/962217764.db2.gz GLDIOTVSTBTAKC-HSZRJFAPSA-N 0 1 406.530 3.609 50 0 HHAAMN COCc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)o1 ZINC000012054827 962230109 /nfs/dbraw/zinc/23/01/09/962230109.db2.gz WFYLTHKFLRXRSB-QFIPXVFZSA-N 0 1 404.457 3.833 50 0 HHAAMN Cc1nc2sccn2c1CN1CCC2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012132778 962245245 /nfs/dbraw/zinc/24/52/45/962245245.db2.gz VMMQYYHLWDWPNO-INIZCTEOSA-N 0 1 424.526 3.674 50 0 HHAAMN Cc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000012386252 962273877 /nfs/dbraw/zinc/27/38/77/962273877.db2.gz UJUYOGCZQSQKNJ-UHFFFAOYSA-N 0 1 408.458 3.603 50 0 HHAAMN O=C([C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)c1ccccc1)N1CCOCC1 ZINC000014897969 962600457 /nfs/dbraw/zinc/60/04/57/962600457.db2.gz CPLDDRPZHCYORE-ZBWUASRJSA-N 0 1 424.501 3.806 50 0 HHAAMN COc1ccc(OC)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c1 ZINC000020999620 963410323 /nfs/dbraw/zinc/41/03/23/963410323.db2.gz DMWQTOFPDDILDK-HMHJJOSWSA-N 0 1 422.525 3.650 50 0 HHAAMN CN(Cc1ccc(Sc2nncn2C)o1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000096794704 969051804 /nfs/dbraw/zinc/05/18/04/969051804.db2.gz NRQOPZXNHZMNBV-QGZVFWFLSA-N 0 1 415.538 3.795 50 0 HHAAMN C/C=C/C=C\C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000097990386 969182662 /nfs/dbraw/zinc/18/26/62/969182662.db2.gz OQLOCIITCVBXLY-DEQVHDEQSA-N 0 1 402.472 3.575 50 0 HHAAMN O=C(NC[C@@H]1CN(Cc2cccc(Cl)c2F)CC12CCOCC2)N1CCCC1 ZINC000257176138 970617724 /nfs/dbraw/zinc/61/77/24/970617724.db2.gz RWRWXZHVDDUFCW-QGZVFWFLSA-N 0 1 409.933 3.513 50 0 HHAAMN Cc1cnc(CC2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1CC1CC1 ZINC000257187360 970622763 /nfs/dbraw/zinc/62/27/63/970622763.db2.gz ATOVVOOJUUBUTF-UHFFFAOYSA-N 0 1 413.587 3.734 50 0 HHAAMN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000008188957 132328377 /nfs/dbraw/zinc/32/83/77/132328377.db2.gz AFMBLIKULRZCCH-GOSISDBHSA-N 0 1 419.566 3.524 50 0 HHAAMN Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1C ZINC000011697975 132349991 /nfs/dbraw/zinc/34/99/91/132349991.db2.gz BRVJCRSIBKEUDN-UHFFFAOYSA-N 0 1 403.490 3.586 50 0 HHAAMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012508569 132361163 /nfs/dbraw/zinc/36/11/63/132361163.db2.gz WXWSZVHMPFKAFW-UHFFFAOYSA-N 0 1 414.358 3.936 50 0 HHAAMN CN1CCN(c2ccccc2NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000015356528 132461497 /nfs/dbraw/zinc/46/14/97/132461497.db2.gz PVGSYTMBJXIOOY-UHFFFAOYSA-N 0 1 410.518 3.882 50 0 HHAAMN CCOc1cc(/C=C/C(=O)Nc2ccccc2N2CCN(CC)CC2)ccc1OC ZINC000040162201 520618955 /nfs/dbraw/zinc/61/89/55/520618955.db2.gz LZDLMANBVUCURT-ACCUITESSA-N 0 1 409.530 3.888 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccco3)n[nH]1)CCC2 ZINC000032873559 521414558 /nfs/dbraw/zinc/41/45/58/521414558.db2.gz ZQIOFGYIIQYCST-UHFFFAOYSA-N 0 1 418.500 3.522 50 0 HHAAMN COC(=O)c1ccc(CN(Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)cc1 ZINC000029699765 522003042 /nfs/dbraw/zinc/00/30/42/522003042.db2.gz MKDABAUQMVCFIY-UHFFFAOYSA-N 0 1 420.431 3.930 50 0 HHAAMN CN(CC(=O)Nc1ccc(I)cc1)[C@@H]1CCc2ccccc21 ZINC000029482772 522506654 /nfs/dbraw/zinc/50/66/54/522506654.db2.gz GMETYCXIABXAKD-QGZVFWFLSA-N 0 1 406.267 3.849 50 0 HHAAMN CC[C@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000032948524 523975883 /nfs/dbraw/zinc/97/58/83/523975883.db2.gz XULKLGOEXBNQOD-JTQLQIEISA-N 0 1 406.558 3.512 50 0 HHAAMN CC(=O)N1CCOc2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)cc21 ZINC000006893127 534801093 /nfs/dbraw/zinc/80/10/93/534801093.db2.gz YLMKOSNUQDWEPH-UHFFFAOYSA-N 0 1 401.271 3.540 50 0 HHAAMN Cc1cc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)ccc1N1CCN(C)CC1 ZINC000032882294 525100936 /nfs/dbraw/zinc/10/09/36/525100936.db2.gz IWIGOQFDCAPEDE-KPKJPENVSA-N 0 1 418.541 3.526 50 0 HHAAMN Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000020588488 525684070 /nfs/dbraw/zinc/68/40/70/525684070.db2.gz WHUHYSGQMPOIEE-UHFFFAOYSA-N 0 1 424.936 3.739 50 0 HHAAMN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000004543798 535715681 /nfs/dbraw/zinc/71/56/81/535715681.db2.gz WCDCWOPXWWVJBQ-UHFFFAOYSA-N 0 1 420.513 3.916 50 0 HHAAMN COc1ccccc1N1CCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000004869680 537068542 /nfs/dbraw/zinc/06/85/42/537068542.db2.gz IYDMGZQYYTYKAO-UHFFFAOYSA-N 0 1 413.949 3.775 50 0 HHAAMN CC1=NC(=O)N[C@H](c2cccc(Br)c2)C1C(=O)OCCc1ccccc1 ZINC000000725570 557072997 /nfs/dbraw/zinc/07/29/97/557072997.db2.gz UJOSDPZUISTQJL-GOSISDBHSA-N 0 1 415.287 3.863 50 0 HHAAMN CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001060004 557163335 /nfs/dbraw/zinc/16/33/35/557163335.db2.gz PFTNYGXOEAEAID-NRFANRHFSA-N 0 1 404.470 3.524 50 0 aggregator HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1c(Cl)cccc1Cl ZINC000001150966 557210988 /nfs/dbraw/zinc/21/09/88/557210988.db2.gz WUWGVLFDUBPWLL-UHFFFAOYSA-N 0 1 423.281 3.837 50 0 HHAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000034793842 557470345 /nfs/dbraw/zinc/47/03/45/557470345.db2.gz HJTXZVOVOYASMN-UHFFFAOYSA-N 0 1 407.426 3.952 50 0 HHAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(CCCO)C3=O)cc1C ZINC000004809697 557599920 /nfs/dbraw/zinc/59/99/20/557599920.db2.gz QBVPVHRROMHRFS-NRFANRHFSA-N 0 1 411.889 3.980 50 0 HHAAMN CCOC(=O)C1C(CSCc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000004820633 557602745 /nfs/dbraw/zinc/60/27/45/557602745.db2.gz JYCPSHLLSGGTMH-FQEVSTJZSA-N 0 1 412.511 3.800 50 0 HHAAMN COc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1NC(C)=O ZINC000006186230 557693528 /nfs/dbraw/zinc/69/35/28/557693528.db2.gz OUCNTAJEESQYNO-UHFFFAOYSA-N 0 1 406.504 3.761 50 0 HHAAMN CC(C)CCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000002973725 557775779 /nfs/dbraw/zinc/77/57/79/557775779.db2.gz VFONUYAVEJDGKF-UHFFFAOYSA-N 0 1 412.353 3.764 50 0 HHAAMN Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1ccccc1 ZINC000009287511 557834278 /nfs/dbraw/zinc/83/42/78/557834278.db2.gz XGFDOSCJZDUNBE-HSZRJFAPSA-N 0 1 413.525 3.835 50 0 HHAAMN Cc1ccc2nc(SCC(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)[nH]c2c1 ZINC000011664597 558268064 /nfs/dbraw/zinc/26/80/64/558268064.db2.gz YNMRAJXILJVQSV-QGZVFWFLSA-N 0 1 412.534 3.883 50 0 HHAAMN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 ZINC000012004189 558308710 /nfs/dbraw/zinc/30/87/10/558308710.db2.gz JKWJECJZNUUZCQ-OAQYLSRUSA-N 0 1 410.533 3.741 50 0 HHAAMN CC(=O)c1cccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012074079 558318978 /nfs/dbraw/zinc/31/89/78/558318978.db2.gz XUDIKEJMTAXSHT-NRFANRHFSA-N 0 1 402.498 3.926 50 0 HHAAMN O[C@H](COc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020294435 558354205 /nfs/dbraw/zinc/35/42/05/558354205.db2.gz MIEQTGGXHMZWBB-DEOSSOPVSA-N 0 1 402.538 3.834 50 0 HHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1sc(C)nc1C ZINC000012228674 558357617 /nfs/dbraw/zinc/35/76/17/558357617.db2.gz AAOVAHFUDMSCQA-UHFFFAOYSA-N 0 1 419.566 3.900 50 0 HHAAMN O=C(c1ccco1)N1CCC[C@@H](COc2ccc(CN3CCSCC3)cc2)C1 ZINC000012283185 558365383 /nfs/dbraw/zinc/36/53/83/558365383.db2.gz ZRYYZRYBBUKQTH-LJQANCHMSA-N 0 1 400.544 3.760 50 0 HHAAMN O=C(c1ccccc1OC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCCC1 ZINC000012304063 558373309 /nfs/dbraw/zinc/37/33/09/558373309.db2.gz JTZJOXZATSSKAT-UHFFFAOYSA-N 0 1 422.525 3.737 50 0 HHAAMN Cc1nn(C)cc1[C@H](C)NCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012316341 558379657 /nfs/dbraw/zinc/37/96/57/558379657.db2.gz VGONXDGCNFVQQS-KRWDZBQOSA-N 0 1 408.550 3.552 50 0 HHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000020723776 558403946 /nfs/dbraw/zinc/40/39/46/558403946.db2.gz PHGTWDUXLZVLFT-AWEZNQCLSA-N 0 1 402.241 3.774 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(F)ccc2F)cc1 ZINC000020730363 558406359 /nfs/dbraw/zinc/40/63/59/558406359.db2.gz FZZYZWLRHFKXOK-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN COc1cc(OC)c(CN2CCC(CO)(CCOc3ccccc3)CC2)c(OC)c1 ZINC000012471760 558422049 /nfs/dbraw/zinc/42/20/49/558422049.db2.gz IEOQQEYUAGXHTN-UHFFFAOYSA-N 0 1 415.530 3.756 50 0 HHAAMN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CCOc1ccc(Cl)cc1 ZINC000020945328 558424872 /nfs/dbraw/zinc/42/48/72/558424872.db2.gz CVLJZVDDMQCKPQ-IBGZPJMESA-N 0 1 419.905 3.899 50 0 HHAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012590574 558435520 /nfs/dbraw/zinc/43/55/20/558435520.db2.gz NNTAIFPQXMBXNX-OAHLLOKOSA-N 0 1 424.923 3.969 50 0 HHAAMN COc1ccc(OC)c(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 ZINC000012595932 558437671 /nfs/dbraw/zinc/43/76/71/558437671.db2.gz PXGCTYKUXZKELN-UHFFFAOYSA-N 0 1 400.523 3.722 50 0 HHAAMN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000012705380 558449501 /nfs/dbraw/zinc/44/95/01/558449501.db2.gz DNSCXIHZBJSGPH-MURVUTHMSA-N 0 1 415.541 3.949 50 0 HHAAMN CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)c(C)n1 ZINC000012707150 558450340 /nfs/dbraw/zinc/45/03/40/558450340.db2.gz SNNAHEVJRWABEC-UHFFFAOYSA-N 0 1 424.574 3.889 50 0 HHAAMN COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(O)cc4)CC3)cc2)cc1 ZINC000022010238 558457528 /nfs/dbraw/zinc/45/75/28/558457528.db2.gz ULQZAQRCBAWLJD-UHFFFAOYSA-N 0 1 417.509 3.975 50 0 HHAAMN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC ZINC000012759128 558460683 /nfs/dbraw/zinc/46/06/83/558460683.db2.gz MCTRUCPRTCZRJA-DEOSSOPVSA-N 0 1 409.530 3.536 50 0 HHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000022101113 558463688 /nfs/dbraw/zinc/46/36/88/558463688.db2.gz NRIAQKXRSWWIOP-UHFFFAOYSA-N 0 1 406.847 3.747 50 0 HHAAMN COc1ccc(NC(=O)c2ccc(C)nc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000022416152 558488307 /nfs/dbraw/zinc/48/83/07/558488307.db2.gz DLJHOOSLWDQHFD-UHFFFAOYSA-N 0 1 415.446 3.591 50 0 HHAAMN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022803404 558513561 /nfs/dbraw/zinc/51/35/61/558513561.db2.gz JEMUAIQPRKDVNQ-GOSISDBHSA-N 0 1 417.509 3.713 50 0 HHAAMN Cc1cc(C)cc(NC(=O)[C@H](NC[C@@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929723 558523743 /nfs/dbraw/zinc/52/37/43/558523743.db2.gz XQDKRDZMJYPTTD-BJKOFHAPSA-N 0 1 409.574 3.930 50 0 HHAAMN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(CCO)CC2)c1 ZINC000022956663 558528063 /nfs/dbraw/zinc/52/80/63/558528063.db2.gz NJMGWXBAUJNPJL-UHFFFAOYSA-N 0 1 413.525 3.510 50 0 HHAAMN CC(C)C(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(F)cc3)CC1)n2C ZINC000013541196 558537661 /nfs/dbraw/zinc/53/76/61/558537661.db2.gz HLHVEXPXAROJKP-UHFFFAOYSA-N 0 1 423.536 3.672 50 0 HHAAMN O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023732579 558571843 /nfs/dbraw/zinc/57/18/43/558571843.db2.gz NHBJBKZKRJLECX-LJQANCHMSA-N 0 1 403.979 3.883 50 0 HHAAMN C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(Br)cc1 ZINC000025050106 558628480 /nfs/dbraw/zinc/62/84/80/558628480.db2.gz NGECBCXJZATONZ-LLVKDONJSA-N 0 1 418.316 3.699 50 0 HHAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000014970135 558687086 /nfs/dbraw/zinc/68/70/86/558687086.db2.gz JHMCTLPZPBIZFH-MRXNPFEDSA-N 0 1 403.498 3.878 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2nc(SC)ncc2Cl)N2CCCCC2)cc1 ZINC000028289230 558696096 /nfs/dbraw/zinc/69/60/96/558696096.db2.gz DKVRNZCRMYWIRS-QGZVFWFLSA-N 0 1 420.966 3.818 50 0 HHAAMN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1 ZINC000015070396 558712414 /nfs/dbraw/zinc/71/24/14/558712414.db2.gz UBSHTAAWRPQPJH-JOCHJYFZSA-N 0 1 408.502 3.948 50 0 HHAAMN O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000015477083 558740812 /nfs/dbraw/zinc/74/08/12/558740812.db2.gz FZTADTOIHRJMLX-KRWDZBQOSA-N 0 1 407.308 3.764 50 0 HHAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000016095965 558771622 /nfs/dbraw/zinc/77/16/22/558771622.db2.gz FSOWMNMVOQEHSS-UHFFFAOYSA-N 0 1 424.478 3.951 50 0 HHAAMN CCOc1cc(CNC(=O)C2CCN(c3nc4ccc(C)cc4[nH]3)CC2)ccc1OC ZINC000033070842 558866368 /nfs/dbraw/zinc/86/63/68/558866368.db2.gz CWHHXIBZJKYLKU-UHFFFAOYSA-N 0 1 422.529 3.811 50 0 HHAAMN O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000055341576 558879292 /nfs/dbraw/zinc/87/92/92/558879292.db2.gz DHPMXMBPJJIEOW-QGZVFWFLSA-N 0 1 403.471 3.503 50 0 HHAAMN O=C([O-])[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000100058135 558884600 /nfs/dbraw/zinc/88/46/00/558884600.db2.gz VWTJKXUNEWVTKH-MSOLQXFVSA-N 0 1 420.509 3.806 50 0 HHAAMN CC(C)Cn1ccc2cc(NS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc21 ZINC000058009378 558894905 /nfs/dbraw/zinc/89/49/05/558894905.db2.gz UZIOPHLJAFETGL-UHFFFAOYSA-N 0 1 414.531 3.662 50 0 HHAAMN Cc1ccc(CN2CCCN(C(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)CC2)cc1 ZINC000058015782 558895376 /nfs/dbraw/zinc/89/53/76/558895376.db2.gz WTYUBONZGGTJAC-UHFFFAOYSA-N 0 1 409.505 3.587 50 0 HHAAMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COc2ccc(F)cc2F)CC1 ZINC000058157517 558903244 /nfs/dbraw/zinc/90/32/44/558903244.db2.gz GESZHZLGADHODH-OAHLLOKOSA-N 0 1 421.463 3.502 50 0 HHAAMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058306343 558918137 /nfs/dbraw/zinc/91/81/37/558918137.db2.gz ZNADWKNSJOLCCW-QFIPXVFZSA-N 0 1 405.546 3.685 50 0 HHAAMN O=C(CSc1c[nH]nn1)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000059352901 558934378 /nfs/dbraw/zinc/93/43/78/558934378.db2.gz WVNOZRQSSDZSMV-UHFFFAOYSA-N 0 1 411.531 3.690 50 0 HHAAMN CCOc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 ZINC000064800122 558965722 /nfs/dbraw/zinc/96/57/22/558965722.db2.gz OBRVIRFEWCDOKW-UHFFFAOYSA-N 0 1 424.549 3.528 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000065365915 558976591 /nfs/dbraw/zinc/97/65/91/558976591.db2.gz BJRRVFMPVIWJGK-UHFFFAOYSA-N 0 1 412.513 3.577 50 0 HHAAMN CCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033068984 558980619 /nfs/dbraw/zinc/98/06/19/558980619.db2.gz RGIXJBPMJPBNSP-UHFFFAOYSA-N 0 1 417.531 3.502 50 0 HHAAMN Cc1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c2ccc(F)cc2n1 ZINC000072473859 558983570 /nfs/dbraw/zinc/98/35/70/558983570.db2.gz RQAROHPRKHFYMI-NRFANRHFSA-N 0 1 403.501 3.998 50 0 HHAAMN CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000067603442 558988092 /nfs/dbraw/zinc/98/80/92/558988092.db2.gz OTIPIXBOOSHFKG-UHFFFAOYSA-N 0 1 408.477 3.746 50 0 HHAAMN O=C(NCc1nc(-c2ccccc2)no1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000067603766 558988265 /nfs/dbraw/zinc/98/82/65/558988265.db2.gz FIFOCRWMNCKNGK-UHFFFAOYSA-N 0 1 410.905 3.918 50 0 HHAAMN C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2-c2nnc[nH]2)C1 ZINC000095520499 559085110 /nfs/dbraw/zinc/08/51/10/559085110.db2.gz SQSFLXGVIQSWCH-QHCPKHFHSA-N 0 1 404.470 3.685 50 0 HHAAMN CCOC(=O)C1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000024022905 559187862 /nfs/dbraw/zinc/18/78/62/559187862.db2.gz RBJRNMZLUXIHAO-QFIPXVFZSA-N 0 1 412.530 3.555 50 0 HHAAMN CN(C)CCN(C(=O)c1cccc(Cl)c1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005121473 559248576 /nfs/dbraw/zinc/24/85/76/559248576.db2.gz BAZVHMSVXILXBU-UHFFFAOYSA-N 0 1 417.918 3.929 50 0 HHAAMN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccnc1 ZINC000005144788 559252412 /nfs/dbraw/zinc/25/24/12/559252412.db2.gz VMVYGNQFDCAXCD-UHFFFAOYSA-N 0 1 409.515 3.720 50 0 HHAAMN CC(C)C[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000011767243 559258782 /nfs/dbraw/zinc/25/87/82/559258782.db2.gz YWQMZWDXKZNIOS-NRFANRHFSA-N 0 1 409.530 3.603 50 0 HHAAMN N=C1S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000005216108 560543633 /nfs/dbraw/zinc/54/36/33/560543633.db2.gz ZEPQONWSVNOWGT-AWEZNQCLSA-N 0 1 404.289 3.861 50 0 HHAAMN COc1cccc2sc(N(CCN(C)C)C(=O)CSc3ccccc3)nc21 ZINC000005239627 560548931 /nfs/dbraw/zinc/54/89/31/560548931.db2.gz VCHDWBXBQINEPT-UHFFFAOYSA-N 0 1 401.557 3.992 50 0 HHAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(O)c1 ZINC000005338884 560567025 /nfs/dbraw/zinc/56/70/25/560567025.db2.gz JENMMZVXVKZBDC-JOCHJYFZSA-N 0 1 407.470 3.848 50 0 HHAAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101030659 560766830 /nfs/dbraw/zinc/76/68/30/560766830.db2.gz KERNKEUSBXMSQX-VSKRKVRLSA-N 0 1 400.434 3.746 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)NCc2ccoc2)ccc1C ZINC000047774362 568431226 /nfs/dbraw/zinc/43/12/26/568431226.db2.gz PMVCPQUNBVUJEG-UHFFFAOYSA-N 0 1 415.471 3.719 50 0 HHAAMN CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000048184596 568432500 /nfs/dbraw/zinc/43/25/00/568432500.db2.gz WNQAZXYDEHVLSD-JLTOFOAXSA-N 0 1 403.523 3.684 50 0 HHAAMN CC(C)[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)N1CCc2ccccc2C1 ZINC000048324205 568438089 /nfs/dbraw/zinc/43/80/89/568438089.db2.gz QNHIZGKEURPNSM-VWLOTQADSA-N 0 1 416.569 3.973 50 0 HHAAMN O=C(CC1CCCCC1)NC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000049406533 568448893 /nfs/dbraw/zinc/44/88/93/568448893.db2.gz LQVGYIBPGDFQGO-UHFFFAOYSA-N 0 1 400.548 3.829 50 0 HHAAMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2c(F)cc(F)cc2Br)n1 ZINC000012260196 568456512 /nfs/dbraw/zinc/45/65/12/568456512.db2.gz YTESQPSSJFXFJZ-UHFFFAOYSA-N 0 1 405.268 3.874 50 0 HHAAMN O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000000646689 568457287 /nfs/dbraw/zinc/45/72/87/568457287.db2.gz XRARGGSYOJANCQ-UHFFFAOYSA-N 0 1 417.490 3.966 50 0 HHAAMN C[C@@H](NC(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000216028628 568462943 /nfs/dbraw/zinc/46/29/43/568462943.db2.gz LEVBHEHWBXAUTO-RBUKOAKNSA-N 0 1 404.514 3.723 50 0 HHAAMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326704 568471852 /nfs/dbraw/zinc/47/18/52/568471852.db2.gz BAMQVPYWMNHYKI-WOUKOJEXSA-N 0 1 409.574 3.811 50 0 HHAAMN CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)NC(=O)N(C2CCCCCC2)C1=O ZINC000019989980 568586262 /nfs/dbraw/zinc/58/62/62/568586262.db2.gz BCNADYINQWWMAK-VZCXRCSSSA-N 0 1 422.529 3.765 50 0 HHAAMN O[C@H](CSc1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1 ZINC000020384963 568603145 /nfs/dbraw/zinc/60/31/45/568603145.db2.gz CHNJBACPVVGYNI-SFHVURJKSA-N 0 1 407.377 3.724 50 0 HHAAMN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)c1 ZINC000095450992 568614476 /nfs/dbraw/zinc/61/44/76/568614476.db2.gz IVWIHQYMJJAUDT-HNNXBMFYSA-N 0 1 412.534 3.625 50 0 HHAAMN Cc1ncc(CN(C)CCO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095473539 568628939 /nfs/dbraw/zinc/62/89/39/568628939.db2.gz WTJQJDVNTLVSMC-UHFFFAOYSA-N 0 1 403.276 3.554 50 0 HHAAMN CCN1CCN(c2ncnc3sc(C(=O)Nc4c(F)cccc4F)c(C)c32)CC1 ZINC000020762658 568642774 /nfs/dbraw/zinc/64/27/74/568642774.db2.gz NSNNEMZMAMDVIK-UHFFFAOYSA-N 0 1 417.485 3.672 50 0 HHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n1C ZINC000021030512 568659300 /nfs/dbraw/zinc/65/93/00/568659300.db2.gz BYRQKJYXJAVXSK-UHFFFAOYSA-N 0 1 421.538 3.762 50 0 HHAAMN O=C(CN1CCC[C@@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000225674744 568662960 /nfs/dbraw/zinc/66/29/60/568662960.db2.gz MGJIIOPJSSOTGX-FQEVSTJZSA-N 0 1 408.420 3.897 50 0 HHAAMN O=C(CCOCc1ccccc1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000096011955 568684580 /nfs/dbraw/zinc/68/45/80/568684580.db2.gz BFTCOVYBAQRZLW-GOSISDBHSA-N 0 1 404.392 3.636 50 0 HHAAMN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1Cl ZINC000096324680 568734301 /nfs/dbraw/zinc/73/43/01/568734301.db2.gz QYXHGKNBGOYXJS-UHFFFAOYSA-N 0 1 423.904 3.924 50 0 HHAAMN COc1cc(/C=C\C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc(OC)c1OC ZINC000096402990 568750487 /nfs/dbraw/zinc/75/04/87/568750487.db2.gz DXBYMFMFECDJJG-HJCTWCACSA-N 0 1 414.502 3.662 50 0 HHAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)cc1 ZINC000021931882 568761722 /nfs/dbraw/zinc/76/17/22/568761722.db2.gz LYAGWROIDHDUAR-UHFFFAOYSA-N 0 1 411.483 3.760 50 0 HHAAMN COc1cccc(/C=C/C(=O)N2CCN(CCc3ccccc3)CC2)c1OC(F)F ZINC000022009723 568764239 /nfs/dbraw/zinc/76/42/39/568764239.db2.gz ZAQHSPDUHQYMHE-ZHACJKMWSA-N 0 1 416.468 3.697 50 0 HHAAMN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)coc2c1 ZINC000002619557 568786808 /nfs/dbraw/zinc/78/68/08/568786808.db2.gz YOLHBFJEJRZZCE-UHFFFAOYSA-N 0 1 422.466 3.513 50 0 HHAAMN CCOC(=O)C1C(CN[C@@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057270678 568825498 /nfs/dbraw/zinc/82/54/98/568825498.db2.gz PAKCDGZQQXTOBB-XOBRGWDASA-N 0 1 413.905 3.862 50 0 HHAAMN COc1ccc(Cn2c(=O)c3cc(I)ccc3[nH]c2=S)cc1 ZINC000002970510 568831733 /nfs/dbraw/zinc/83/17/33/568831733.db2.gz ARYGUHXQUCZDHO-UHFFFAOYSA-N 0 1 424.263 3.721 50 0 HHAAMN COc1ccc2nc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000003047796 568849379 /nfs/dbraw/zinc/84/93/79/568849379.db2.gz OSVMRGRWISRIJP-INIZCTEOSA-N 0 1 412.921 3.800 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000057992188 568873055 /nfs/dbraw/zinc/87/30/55/568873055.db2.gz XELZJZRNKWSHBN-RQVMVGKASA-N 0 1 411.889 3.619 50 0 HHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000003310359 568878351 /nfs/dbraw/zinc/87/83/51/568878351.db2.gz PMHHAVCKLSGQFE-UHFFFAOYSA-N 0 1 419.919 3.740 50 0 HHAAMN CC[NH+](CC)CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000003363332 568888468 /nfs/dbraw/zinc/88/84/68/568888468.db2.gz YPYHBGQXUDPGFS-UHFFFAOYSA-N 0 1 417.575 3.566 50 0 HHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000003551214 568914917 /nfs/dbraw/zinc/91/49/17/568914917.db2.gz KUYYYVAIGTTXHW-UHFFFAOYSA-N 0 1 423.542 3.532 50 0 HHAAMN COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccc(Br)cc1)N(C)CC3)OCO2 ZINC000004029797 568934504 /nfs/dbraw/zinc/93/45/04/568934504.db2.gz BVCMOJHQNDYZII-CVEARBPZSA-N 0 1 420.303 3.839 50 0 biogenic HHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008346071 568994730 /nfs/dbraw/zinc/99/47/30/568994730.db2.gz VQHPIFOBUHLRMD-JOCHJYFZSA-N 0 1 415.497 3.640 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000008373993 568995747 /nfs/dbraw/zinc/99/57/47/568995747.db2.gz OJIQGJGJPCQXSX-GOSISDBHSA-N 0 1 400.837 3.692 50 0 HHAAMN CCOc1ccc2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)[nH]c2c1 ZINC000008425076 569001975 /nfs/dbraw/zinc/00/19/75/569001975.db2.gz XAJMNLGYWWOJKS-ZDUSSCGKSA-N 0 1 410.499 3.818 50 0 HHAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(O)c(OC)c2)c1 ZINC000035170909 569002214 /nfs/dbraw/zinc/00/22/14/569002214.db2.gz JAEXEIPDDNYRGK-KRWDZBQOSA-N 0 1 405.454 3.766 50 0 HHAAMN CC[C@@H]1CN(CCC(=O)N[C@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000104404765 569008492 /nfs/dbraw/zinc/00/84/92/569008492.db2.gz YEXCSVRASVCNKZ-RHSMWYFYSA-N 0 1 403.548 3.701 50 0 HHAAMN CC(=O)c1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)cc1 ZINC000015864782 569016633 /nfs/dbraw/zinc/01/66/33/569016633.db2.gz PZMUDCDZAODFDI-UHFFFAOYSA-N 0 1 423.494 3.954 50 0 HHAAMN Cc1sc2ncnc(SCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2c1C ZINC000012891461 569020068 /nfs/dbraw/zinc/02/00/68/569020068.db2.gz ORFFOYRMIBBACK-KRWDZBQOSA-N 0 1 412.584 3.791 50 0 HHAAMN COc1ccccc1-c1cc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)n[nH]1 ZINC000575620151 569038803 /nfs/dbraw/zinc/03/88/03/569038803.db2.gz RBSHCOUPDATLMK-HXUWFJFHSA-N 0 1 413.481 3.607 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000006316913 569040284 /nfs/dbraw/zinc/04/02/84/569040284.db2.gz ZKHUPFYAXFOXMH-MRXNPFEDSA-N 0 1 410.495 3.987 50 0 HHAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cn1 ZINC000006348509 569044588 /nfs/dbraw/zinc/04/45/88/569044588.db2.gz LFVLREQLEIAKTG-UHFFFAOYSA-N 0 1 415.446 3.591 50 0 HHAAMN COc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006471369 569058048 /nfs/dbraw/zinc/05/80/48/569058048.db2.gz OHHUSPZJCSWVPA-UHFFFAOYSA-N 0 1 400.431 3.887 50 0 HHAAMN COc1cccc(CN2CC=C(C(=O)NCc3ccc(Br)cc3)CC2)c1 ZINC000064818006 569101162 /nfs/dbraw/zinc/10/11/62/569101162.db2.gz AJWDCEOVYLXCHB-UHFFFAOYSA-N 0 1 415.331 3.906 50 0 HHAAMN O=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000064818095 569101267 /nfs/dbraw/zinc/10/12/67/569101267.db2.gz KICJNETVLXGNIG-UHFFFAOYSA-N 0 1 413.924 3.960 50 0 HHAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OC)cc1 ZINC000006744927 569107577 /nfs/dbraw/zinc/10/75/77/569107577.db2.gz YPKQSELKVPCRNP-JOCHJYFZSA-N 0 1 407.470 3.763 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006935335 569186058 /nfs/dbraw/zinc/18/60/58/569186058.db2.gz SRLZEYYOCYHDBG-CQSZACIVSA-N 0 1 400.500 3.574 50 0 HHAAMN CCN(CC)C(=O)c1cccc(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)c1 ZINC000007240922 569229744 /nfs/dbraw/zinc/22/97/44/569229744.db2.gz WOFUEJVHCHERQX-UHFFFAOYSA-N 0 1 412.515 3.784 50 0 HHAAMN Cc1cc(Br)c(O)c(C(=O)Nc2cccc(CN3CCCC3=O)c2)c1 ZINC000065567657 569236253 /nfs/dbraw/zinc/23/62/53/569236253.db2.gz HJPSUFWNQRMJMK-UHFFFAOYSA-N 0 1 403.276 3.838 50 0 HHAAMN Brc1ccc(CN[C@@H]2CCOc3ccccc32)c(N2CCOCC2)c1 ZINC000170591551 569240628 /nfs/dbraw/zinc/24/06/28/569240628.db2.gz PBWOJQVNKGIXFE-GOSISDBHSA-N 0 1 403.320 3.899 50 0 HHAAMN COC(=O)[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1c1ccsc1 ZINC000170601413 569243204 /nfs/dbraw/zinc/24/32/04/569243204.db2.gz GFRSQZAFYQYSSU-RYUDHWBXSA-N 0 1 400.283 3.789 50 0 HHAAMN COc1ccc2c(c1)snc2C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000170613531 569246925 /nfs/dbraw/zinc/24/69/25/569246925.db2.gz FEAVXISVVGMVCF-GOSISDBHSA-N 0 1 411.527 3.880 50 0 HHAAMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000089832506 569266784 /nfs/dbraw/zinc/26/67/84/569266784.db2.gz UJYRVWICDPVUSW-NRFANRHFSA-N 0 1 422.525 3.940 50 0 HHAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000017012414 569271628 /nfs/dbraw/zinc/27/16/28/569271628.db2.gz DTWIFXZXOMMTSW-UHFFFAOYSA-N 0 1 401.514 3.501 50 0 HHAAMN CCOc1ccc2nc(SCC(=O)Nc3cc(NC(C)=O)ccc3OC)[nH]c2c1 ZINC000007896813 569318868 /nfs/dbraw/zinc/31/88/68/569318868.db2.gz HVFMCPMLFGQDQE-UHFFFAOYSA-N 0 1 414.487 3.659 50 0 HHAAMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000253426936 569368315 /nfs/dbraw/zinc/36/83/15/569368315.db2.gz BZWCKXKASUMAAX-UHFFFAOYSA-N 0 1 404.498 3.692 50 0 HHAAMN Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N2CCSCC2)c1 ZINC000012434598 569382501 /nfs/dbraw/zinc/38/25/01/569382501.db2.gz UKHBQLMYWUWNMV-UHFFFAOYSA-N 0 1 411.571 3.622 50 0 HHAAMN CC(C)Oc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000002417850 569397548 /nfs/dbraw/zinc/39/75/48/569397548.db2.gz IVANQYYXDUESFW-NRFANRHFSA-N 0 1 406.482 3.687 50 0 HHAAMN O=C(c1[nH]nnc1Nc1cccc(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000067284699 571063524 /nfs/dbraw/zinc/06/35/24/571063524.db2.gz KUYJZZAYZFSBSW-UHFFFAOYSA-N 0 1 417.300 3.818 50 0 HHAAMN Cc1cccnc1NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008991183 571207038 /nfs/dbraw/zinc/20/70/38/571207038.db2.gz GQLPAAAZUBJARZ-UHFFFAOYSA-N 0 1 402.406 3.887 50 0 biogenic HHAAMN Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000069848255 571246939 /nfs/dbraw/zinc/24/69/39/571246939.db2.gz VHLWVTWHIJGMRI-UHFFFAOYSA-N 0 1 421.520 3.659 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)N2CCCCC2)cc1 ZINC000009762387 571284687 /nfs/dbraw/zinc/28/46/87/571284687.db2.gz LBZWWZYYQRORHV-DEOSSOPVSA-N 0 1 418.541 3.897 50 0 HHAAMN Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)Nc3ccc(F)cc3C)c(=O)n21 ZINC000033256317 571309271 /nfs/dbraw/zinc/30/92/71/571309271.db2.gz VRJKANZRVQIZLX-UHFFFAOYSA-N 0 1 417.487 3.774 50 0 HHAAMN Cc1cc(O)c(C2=NCCS[C@H](c3cc(Br)ccc3O)C2)c(=O)o1 ZINC000005441420 960725029 /nfs/dbraw/zinc/72/50/29/960725029.db2.gz WREQRAUXIXVJPV-HNNXBMFYSA-N 0 1 410.289 3.789 50 0 HHAAMN CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cn1 ZINC000012303739 962268853 /nfs/dbraw/zinc/26/88/53/962268853.db2.gz PRHOKZORGFZPSR-UHFFFAOYSA-N 0 1 405.502 3.941 50 0 HHAAMN C[C@H]1CN(CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000012456618 962283861 /nfs/dbraw/zinc/28/38/61/962283861.db2.gz GEAJAEVKGHTLRC-OXJNMPFZSA-N 0 1 402.922 3.505 50 0 HHAAMN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(O)c3)CC2)C1=O ZINC000014539566 962525118 /nfs/dbraw/zinc/52/51/18/962525118.db2.gz YFOGBHAXQISYSD-UHFFFAOYSA-N 0 1 421.541 3.642 50 0 HHAAMN COc1cccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)N(C)C)c1 ZINC000018017003 963251614 /nfs/dbraw/zinc/25/16/14/963251614.db2.gz FIVCEQWLRKACKK-FQEVSTJZSA-N 0 1 407.470 3.573 50 0 HHAAMN COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745121 963375049 /nfs/dbraw/zinc/37/50/49/963375049.db2.gz WTQQWFDYLVQIKA-QHCPKHFHSA-N 0 1 408.542 3.929 50 0 HHAAMN CCN1CCN(CC(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)CC1 ZINC000023358143 963807241 /nfs/dbraw/zinc/80/72/41/963807241.db2.gz DNXOMOBLRWGQAS-UHFFFAOYSA-N 0 1 408.521 3.536 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)NCc2ccccc2)cc1 ZINC000035124626 966419073 /nfs/dbraw/zinc/41/90/73/966419073.db2.gz XFFLDBRSPGOTAJ-SSZFMOIBSA-N 0 1 422.506 3.826 50 0 HHAAMN O=C([C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)c1ccccc1)N1CCOCC1 ZINC000096942224 969059547 /nfs/dbraw/zinc/05/95/47/969059547.db2.gz CPLDDRPZHCYORE-WUQYLLKWSA-N 0 1 424.501 3.806 50 0 HHAAMN CCOc1ccccc1CN1CCN(Cc2cccc3cnccc32)C[C@H]1CCO ZINC000104330658 969201307 /nfs/dbraw/zinc/20/13/07/969201307.db2.gz UMNKVMHXBWOOKA-HSZRJFAPSA-N 0 1 405.542 3.702 50 0 HHAAMN Cc1ccc(C(=O)N2CCOc3ccc(CN4CCc5ccccc5C4)cc3C2)cn1 ZINC000169777141 970479445 /nfs/dbraw/zinc/47/94/45/970479445.db2.gz CVRDTGZFJXNTAZ-UHFFFAOYSA-N 0 1 413.521 3.983 50 0 HHAAMN O=C(NC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CC12CCOCC2)N1CCCC1 ZINC000257174130 970616085 /nfs/dbraw/zinc/61/60/85/970616085.db2.gz CNIUSILFQKTRKW-QGZVFWFLSA-N 0 1 409.933 3.513 50 0 HHAAMN CCOc1ccc(NC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004791606 132288755 /nfs/dbraw/zinc/28/87/55/132288755.db2.gz VSOOAZGDZZSWDI-UHFFFAOYSA-N 0 1 400.498 3.558 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000007325387 132323851 /nfs/dbraw/zinc/32/38/51/132323851.db2.gz AQRRDLKTFOYEGM-UHFFFAOYSA-N 0 1 418.515 3.584 50 0 HHAAMN CC[NH+](CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000008974907 132334354 /nfs/dbraw/zinc/33/43/54/132334354.db2.gz PDVCOBDDSVAVIL-CAPFRKAQSA-N 0 1 406.486 3.810 50 0 HHAAMN O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697969 132349999 /nfs/dbraw/zinc/34/99/99/132349999.db2.gz MPYYUYNZWBFGLT-UHFFFAOYSA-N 0 1 409.881 3.623 50 0 HHAAMN CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000032947209 519913991 /nfs/dbraw/zinc/91/39/91/519913991.db2.gz XZDGUYQOOPFHJV-UHFFFAOYSA-N 0 1 413.493 3.975 50 0 HHAAMN CN(C)[C@@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1cccc(F)c1 ZINC000032730312 522008098 /nfs/dbraw/zinc/00/80/98/522008098.db2.gz HMHVMKPFYVQSTE-SFHVURJKSA-N 0 1 419.294 3.783 50 0 HHAAMN CN(CC(=O)Nc1ccc(I)cc1)[C@H]1CCc2ccccc21 ZINC000029482775 522505182 /nfs/dbraw/zinc/50/51/82/522505182.db2.gz GMETYCXIABXAKD-KRWDZBQOSA-N 0 1 406.267 3.849 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)c1cncn1-c1ccc(F)cc1)N1CCCC1 ZINC000032841469 524793150 /nfs/dbraw/zinc/79/31/50/524793150.db2.gz IBXSJIBJRPLSOS-FQEVSTJZSA-N 0 1 408.477 3.587 50 0 HHAAMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 ZINC000008185779 525591322 /nfs/dbraw/zinc/59/13/22/525591322.db2.gz VMSDJIMEUYVKAN-CVEARBPZSA-N 0 1 421.588 3.601 50 0 HHAAMN O=S(=O)(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccs1 ZINC000032865330 527209707 /nfs/dbraw/zinc/20/97/07/527209707.db2.gz PKCPEZHSQWNSPU-UHFFFAOYSA-N 0 1 404.479 3.710 50 0 HHAAMN COc1ccc([C@H]2CCCCCN2[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008747969 536938762 /nfs/dbraw/zinc/93/87/62/536938762.db2.gz LIFATGKQRGBHTA-DYESRHJHSA-N 0 1 407.514 3.986 50 0 HHAAMN COc1ccccc1N1CCN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000004703478 537068196 /nfs/dbraw/zinc/06/81/96/537068196.db2.gz HCEHYAPZNYHIRS-UHFFFAOYSA-N 0 1 413.949 3.775 50 0 HHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000000640821 557032618 /nfs/dbraw/zinc/03/26/18/557032618.db2.gz XYJNHCMEEPGGOC-UHFFFAOYSA-N 0 1 406.685 3.921 50 0 HHAAMN CC1=NC(=O)N[C@H](c2cccc(OCc3ccccc3)c2)C1C(=O)OC[C@H]1CCCO1 ZINC000000853933 557102201 /nfs/dbraw/zinc/10/22/01/557102201.db2.gz JUVNOQZQZGPOCX-IFMALSPDSA-N 0 1 422.481 3.616 50 0 biogenic HHAAMN C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000001132612 557199368 /nfs/dbraw/zinc/19/93/68/557199368.db2.gz UAJXEOLJIYMFRX-CCEZHUSRSA-N 0 1 408.483 3.628 50 0 HHAAMN CCOC(=O)N[C@@](Nc1ccccc1C(F)(F)F)(C(=O)OCC)C(F)(F)F ZINC000003138065 557450478 /nfs/dbraw/zinc/45/04/78/557450478.db2.gz HJIQCUIRMMATET-ZDUSSCGKSA-N 0 1 402.291 3.685 50 0 HHAAMN CCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)cc2)CC1 ZINC000034922063 557484079 /nfs/dbraw/zinc/48/40/79/557484079.db2.gz PQKOMBDBMMALAO-UHFFFAOYSA-N 0 1 401.514 3.846 50 0 HHAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2Br)C1 ZINC000005714992 557669925 /nfs/dbraw/zinc/66/99/25/557669925.db2.gz JPTRSILQIARTDQ-CQSZACIVSA-N 0 1 413.356 3.547 50 0 HHAAMN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@@H]2[C@H]1CC=CCC1 ZINC000009052909 557820627 /nfs/dbraw/zinc/82/06/27/557820627.db2.gz ONQFQSBELPLCJS-KKSFZXQISA-N 0 1 402.502 3.502 50 0 HHAAMN CN1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccc(Cl)cc2)CC1 ZINC000019796769 558284457 /nfs/dbraw/zinc/28/44/57/558284457.db2.gz FPWOMLDRMCZCHE-OAQYLSRUSA-N 0 1 424.932 3.714 50 0 HHAAMN O=C(c1nc2ccccn2c1CNCc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000019837148 558292969 /nfs/dbraw/zinc/29/29/69/558292969.db2.gz RNZFLTCFKQIOBN-UHFFFAOYSA-N 0 1 418.419 3.759 50 0 HHAAMN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000012135327 558333807 /nfs/dbraw/zinc/33/38/07/558333807.db2.gz KUBJHSWSOUNDAJ-OAQYLSRUSA-N 0 1 414.496 3.934 50 0 HHAAMN Cc1ccccc1-c1ncc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cn1 ZINC000020207581 558347190 /nfs/dbraw/zinc/34/71/90/558347190.db2.gz MEMKUVHSMBDFLM-QHCPKHFHSA-N 0 1 402.542 3.521 50 0 HHAAMN CO[C@H]1CCCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 ZINC000012197216 558350344 /nfs/dbraw/zinc/35/03/44/558350344.db2.gz FYGKEPONFGFFSV-QFIPXVFZSA-N 0 1 423.557 3.684 50 0 HHAAMN Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1C ZINC000012197220 558350385 /nfs/dbraw/zinc/35/03/85/558350385.db2.gz CUVIFFLGVUQQLZ-GOSISDBHSA-N 0 1 405.502 3.767 50 0 HHAAMN COc1cccc(N2C[C@@H]3C[C@@H](c4cc(=O)c5ccccc5[nH]4)N4CCC[C@@]34C2=O)c1 ZINC000012299623 558369516 /nfs/dbraw/zinc/36/95/16/558369516.db2.gz NFBSEFGNRWPFQS-PMHROOCVSA-N 0 1 415.493 3.891 50 0 HHAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000012301945 558371580 /nfs/dbraw/zinc/37/15/80/558371580.db2.gz OXPVPFBFGTVNMP-UHFFFAOYSA-N 0 1 416.428 3.796 50 0 HHAAMN COc1cccc(-c2cc(CC3(O)CCN(Cc4cc(CC(C)C)[nH]n4)CC3)on2)c1 ZINC000012305370 558374541 /nfs/dbraw/zinc/37/45/41/558374541.db2.gz QOFFCGWZSDFQLH-UHFFFAOYSA-N 0 1 424.545 3.841 50 0 HHAAMN COc1cccc(CN2CCC[C@@H](NC(=O)CSc3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000012307105 558375768 /nfs/dbraw/zinc/37/57/68/558375768.db2.gz DEWOVGGQXHGIGU-GOSISDBHSA-N 0 1 424.570 3.753 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2F)cc1 ZINC000020732594 558407090 /nfs/dbraw/zinc/40/70/90/558407090.db2.gz KIIDVIFYNABIOT-FQEVSTJZSA-N 0 1 424.432 3.524 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F ZINC000020745653 558410521 /nfs/dbraw/zinc/41/05/21/558410521.db2.gz OYDRKECQIXKBFQ-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCN(C=O)CC1 ZINC000012459117 558418590 /nfs/dbraw/zinc/41/85/90/558418590.db2.gz NWAOJYZUSZTRRA-UHFFFAOYSA-N 0 1 410.468 3.790 50 0 HHAAMN O=C(Nc1ccnn1C1CCN(Cc2cccc(F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000012578636 558431802 /nfs/dbraw/zinc/43/18/02/558431802.db2.gz PMKCXLBWZHYJDW-UHFFFAOYSA-N 0 1 422.460 3.840 50 0 HHAAMN CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1 ZINC000012630708 558441838 /nfs/dbraw/zinc/44/18/38/558441838.db2.gz PJILZEYRHHWWSN-IBGZPJMESA-N 0 1 410.499 3.800 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N(C)C)cc1OC ZINC000021807595 558450874 /nfs/dbraw/zinc/45/08/74/558450874.db2.gz KDTYFAODILMQRQ-LJQANCHMSA-N 0 1 409.486 3.700 50 0 HHAAMN CN(Cc1ccc(Br)cc1)C(=O)CSc1nc(C2CCCC2)n[nH]1 ZINC000021807237 558450885 /nfs/dbraw/zinc/45/08/85/558450885.db2.gz YZVAQMBZJCXNFB-UHFFFAOYSA-N 0 1 409.353 3.976 50 0 HHAAMN CN(Cc1ccc(Br)cc1)C(=O)CSc1n[nH]c(C2CCCC2)n1 ZINC000021807237 558450888 /nfs/dbraw/zinc/45/08/88/558450888.db2.gz YZVAQMBZJCXNFB-UHFFFAOYSA-N 0 1 409.353 3.976 50 0 HHAAMN Cc1c([C@@H](C)NCc2ccc(N3CCNC3=O)cc2)cnn1-c1ccc(F)cc1F ZINC000012710359 558451899 /nfs/dbraw/zinc/45/18/99/558451899.db2.gz XMYNVEZUZWBZJH-CQSZACIVSA-N 0 1 411.456 3.839 50 0 HHAAMN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCCN(C(C)=O)CC2)c1 ZINC000012716680 558455458 /nfs/dbraw/zinc/45/54/58/558455458.db2.gz AQOYTGDADHJKBF-UHFFFAOYSA-N 0 1 404.514 3.602 50 0 HHAAMN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)C[C@H]1COCCO1 ZINC000012835391 558477805 /nfs/dbraw/zinc/47/78/05/558477805.db2.gz WMUZQIPZKREFMR-IBGZPJMESA-N 0 1 413.468 3.973 50 0 HHAAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013038336 558505645 /nfs/dbraw/zinc/50/56/45/558505645.db2.gz SRLQCJSYFQWYGZ-SFHVURJKSA-N 0 1 417.575 3.623 50 0 HHAAMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000022912711 558519960 /nfs/dbraw/zinc/51/99/60/558519960.db2.gz BCXBTHIQRSOAPV-QGZVFWFLSA-N 0 1 416.363 3.636 50 0 HHAAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000022916439 558521638 /nfs/dbraw/zinc/52/16/38/558521638.db2.gz HSRVNDVTGWXJCD-QGZVFWFLSA-N 0 1 401.938 3.536 50 0 HHAAMN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022916703 558521691 /nfs/dbraw/zinc/52/16/91/558521691.db2.gz HPCOUMLRYSZTCR-VWLOTQADSA-N 0 1 402.538 3.911 50 0 HHAAMN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000023762568 558574748 /nfs/dbraw/zinc/57/47/48/558574748.db2.gz SISGFHBMKSDAPL-SFHVURJKSA-N 0 1 419.978 3.673 50 0 HHAAMN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccc(C(N)=O)cc1)CC2 ZINC000023908468 558581071 /nfs/dbraw/zinc/58/10/71/558581071.db2.gz CLRXPTNMBCAPNK-DEOSSOPVSA-N 0 1 402.494 3.950 50 0 HHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000024103321 558589145 /nfs/dbraw/zinc/58/91/45/558589145.db2.gz XELUPVVZDWHMPQ-UHFFFAOYSA-N 0 1 418.496 3.818 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cccnc2OCC(F)(F)F)N2CCCC2)cc1 ZINC000024538602 558600639 /nfs/dbraw/zinc/60/06/39/558600639.db2.gz MKDUCRSOCUDORT-SFHVURJKSA-N 0 1 423.435 3.598 50 0 HHAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000014138856 558624555 /nfs/dbraw/zinc/62/45/55/558624555.db2.gz PDCPZSHPWZBTBO-QHCPKHFHSA-N 0 1 402.542 3.861 50 0 HHAAMN Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)n1 ZINC000024987109 558625304 /nfs/dbraw/zinc/62/53/04/558625304.db2.gz HTZURIYTTUGNJQ-UHFFFAOYSA-N 0 1 405.476 3.952 50 0 HHAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C1=COCCO1 ZINC000026129566 558656136 /nfs/dbraw/zinc/65/61/36/558656136.db2.gz SSGVQZASDUNVPG-KRWDZBQOSA-N 0 1 403.360 3.676 50 0 HHAAMN COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027667523 558680067 /nfs/dbraw/zinc/68/00/67/558680067.db2.gz ANKLGLQNOJMSSY-JTSKRJEESA-N 0 1 400.494 3.945 50 0 HHAAMN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2nc(C)sc2c1 ZINC000028248800 558693573 /nfs/dbraw/zinc/69/35/73/558693573.db2.gz WEXZOBCOLPGFFP-UHFFFAOYSA-N 0 1 405.501 3.763 50 0 HHAAMN CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000028287524 558694701 /nfs/dbraw/zinc/69/47/01/558694701.db2.gz KOYPFIWBSNEQBX-NRFANRHFSA-N 0 1 415.965 3.847 50 0 HHAAMN COc1cccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000015079773 558718423 /nfs/dbraw/zinc/71/84/23/558718423.db2.gz JCMLENXIUNEDRW-NRFANRHFSA-N 0 1 413.949 3.775 50 0 HHAAMN COc1cc(C[C@H]2CC(CNCc3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081381 558719007 /nfs/dbraw/zinc/71/90/07/558719007.db2.gz KSIGJMIVEPCDIA-KRWDZBQOSA-N 0 1 418.877 3.563 50 0 HHAAMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(Oc4ccccn4)cc3)n2)cc1 ZINC000030606537 558733946 /nfs/dbraw/zinc/73/39/46/558733946.db2.gz KNJPOFJQLUMMNV-UHFFFAOYSA-N 0 1 401.426 3.985 50 0 HHAAMN CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000003103596 558750010 /nfs/dbraw/zinc/75/00/10/558750010.db2.gz YWJSOECTGNJITK-HNNXBMFYSA-N 0 1 424.297 3.962 50 0 HHAAMN C[C@@H](NC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1)c1ccccc1 ZINC000016034003 558769238 /nfs/dbraw/zinc/76/92/38/558769238.db2.gz GAIXORVAXMXKSY-JSBMJGEESA-N 0 1 419.569 3.501 50 0 HHAAMN COc1cc(S(=O)(=O)Nc2ccc(Br)cc2C)c(OC)cc1C ZINC000048044444 558842848 /nfs/dbraw/zinc/84/28/48/558842848.db2.gz PACIUQVDGCDUPG-UHFFFAOYSA-N 0 1 400.294 3.884 50 0 HHAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F ZINC000096876667 558862783 /nfs/dbraw/zinc/86/27/83/558862783.db2.gz YHQOVJQHYDGRPF-FQEVSTJZSA-N 0 1 424.432 3.524 50 0 HHAAMN COc1cccc(OCCN2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)c1 ZINC000054074885 558866003 /nfs/dbraw/zinc/86/60/03/558866003.db2.gz VWMKFNUSFCFMBM-UHFFFAOYSA-N 0 1 424.570 3.780 50 0 HHAAMN O=C(NC1CCCCC1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071320 558866571 /nfs/dbraw/zinc/86/65/71/558866571.db2.gz SGCGBKCUDLOKSK-CYBMUJFWSA-N 0 1 405.340 3.991 50 0 HHAAMN Clc1ccc(Cn2ncc3c2ncnc3N2CCN(Cc3ccccc3)CC2)cc1 ZINC000054333071 558867522 /nfs/dbraw/zinc/86/75/22/558867522.db2.gz MMDXYLMCFFZMJQ-UHFFFAOYSA-N 0 1 418.932 3.850 50 0 HHAAMN Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090755 558872083 /nfs/dbraw/zinc/87/20/83/558872083.db2.gz PTSUEFBWPBOWQO-HXUWFJFHSA-N 0 1 417.557 3.607 50 0 HHAAMN O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000055385357 558880569 /nfs/dbraw/zinc/88/05/69/558880569.db2.gz XMYKFTADFNDMOB-KRWDZBQOSA-N 0 1 403.471 3.503 50 0 HHAAMN Cc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000004669911 558880601 /nfs/dbraw/zinc/88/06/01/558880601.db2.gz WINUKYOMZMWROP-UHFFFAOYSA-N 0 1 419.510 3.765 50 0 HHAAMN CCN1CCN(c2ncnc3sc(C(=O)N[C@H](C)c4ccccc4)c(C)c32)CC1 ZINC000033048365 558885514 /nfs/dbraw/zinc/88/55/14/558885514.db2.gz AEBZYQLFVCBGQD-MRXNPFEDSA-N 0 1 409.559 3.633 50 0 HHAAMN CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000058162902 558906342 /nfs/dbraw/zinc/90/63/42/558906342.db2.gz NVLFTLSVZHHKDI-AWEZNQCLSA-N 0 1 414.506 3.551 50 0 HHAAMN CCOC(=O)C1=C(CN2CCCCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058167072 558907324 /nfs/dbraw/zinc/90/73/24/558907324.db2.gz HSRYRNCPZDOBJJ-LJQANCHMSA-N 0 1 405.926 3.777 50 0 HHAAMN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[nH]2)c(Br)c1 ZINC000058282815 558916462 /nfs/dbraw/zinc/91/64/62/558916462.db2.gz XQKFBTMURDNCQQ-UHFFFAOYSA-N 0 1 404.220 3.536 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000072119398 558928221 /nfs/dbraw/zinc/92/82/21/558928221.db2.gz MXBSWYRQUCOOGR-UHFFFAOYSA-N 0 1 406.893 3.801 50 0 HHAAMN OCC[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CCN1Cc1ccccc1 ZINC000019595591 558946191 /nfs/dbraw/zinc/94/61/91/558946191.db2.gz HALIIDAOGDHSLF-HSZRJFAPSA-N 0 1 410.949 3.595 50 0 HHAAMN Cc1ccc(Cc2nc(CCNC(=O)Nc3cccc(Br)c3)n[nH]2)cc1 ZINC000033062564 558956248 /nfs/dbraw/zinc/95/62/48/558956248.db2.gz DJFGSDHSGINQGG-UHFFFAOYSA-N 0 1 414.307 3.831 50 0 HHAAMN Cc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4F)CC3)n2)c1 ZINC000067601930 558987722 /nfs/dbraw/zinc/98/77/22/558987722.db2.gz CLCRRGKXPVPPLK-UHFFFAOYSA-N 0 1 408.477 3.713 50 0 HHAAMN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000023157076 559022040 /nfs/dbraw/zinc/02/20/40/559022040.db2.gz LPUXTZWNWDSBQR-SJKOYZFVSA-N 0 1 402.520 3.643 50 0 HHAAMN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000033298916 559048117 /nfs/dbraw/zinc/04/81/17/559048117.db2.gz NRLHCWQKVPPZNS-UHFFFAOYSA-N 0 1 416.933 3.544 50 0 HHAAMN CC(C)CN1CCN(C(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)CC1 ZINC000033313153 559055184 /nfs/dbraw/zinc/05/51/84/559055184.db2.gz KUYCCIPXJKUVGT-UHFFFAOYSA-N 0 1 407.562 3.548 50 0 HHAAMN O=C(/C=C/c1ccccc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095378447 559080580 /nfs/dbraw/zinc/08/05/80/559080580.db2.gz ZGPPHBFLBAOTCA-ALOGVJLUSA-N 0 1 402.494 3.517 50 0 HHAAMN Cc1ccc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000096839837 559112543 /nfs/dbraw/zinc/11/25/43/559112543.db2.gz NMIGAIIEXWLWIN-UHFFFAOYSA-N 0 1 406.555 3.693 50 0 HHAAMN CCCOC(=O)CNC(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023331250 559170502 /nfs/dbraw/zinc/17/05/02/559170502.db2.gz VDECRQZPGGTCLJ-UHFFFAOYSA-N 0 1 419.481 3.534 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000004950937 559215695 /nfs/dbraw/zinc/21/56/95/559215695.db2.gz MTGJJTPEJCBKIK-UHFFFAOYSA-N 0 1 414.531 3.778 50 0 HHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000004950948 559215869 /nfs/dbraw/zinc/21/58/69/559215869.db2.gz QMSBHCSNTUADLI-UHFFFAOYSA-N 0 1 414.531 3.634 50 0 HHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971524 559220587 /nfs/dbraw/zinc/22/05/87/559220587.db2.gz MWCNKEVCUDULTC-UHFFFAOYSA-N 0 1 420.918 3.839 50 0 HHAAMN CN(C)[C@@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000100792619 559267344 /nfs/dbraw/zinc/26/73/44/559267344.db2.gz OYBOOSWHSZRNLY-DHLKQENFSA-N 0 1 412.493 3.662 50 0 biogenic HHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137754379 559280910 /nfs/dbraw/zinc/28/09/10/559280910.db2.gz AJAPTWKTHVPRHV-BHDDXSALSA-N 0 1 418.424 3.885 50 0 HHAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137839983 559281026 /nfs/dbraw/zinc/28/10/26/559281026.db2.gz VGAJYRKEVKPHAO-BHDDXSALSA-N 0 1 400.434 3.746 50 0 HHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)n2)cc1 ZINC000005180061 559289332 /nfs/dbraw/zinc/28/93/32/559289332.db2.gz XNYMZKXRJULTKZ-CYBMUJFWSA-N 0 1 401.536 3.673 50 0 HHAAMN Cc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000005462422 560591882 /nfs/dbraw/zinc/59/18/82/560591882.db2.gz QCFTZWYRIHVPDV-NRFANRHFSA-N 0 1 411.889 3.980 50 0 HHAAMN C[C@@H](NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1)c1ccccc1Cl ZINC000102135025 560808069 /nfs/dbraw/zinc/80/80/69/560808069.db2.gz IGHRZAOGIOTHLL-GFCCVEGCSA-N 0 1 407.923 3.687 50 0 HHAAMN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1)c1ccccc1Br ZINC000012197185 560891515 /nfs/dbraw/zinc/89/15/15/560891515.db2.gz XPTBHSDBERJIKJ-QGZVFWFLSA-N 0 1 417.303 3.745 50 0 HHAAMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000048343795 568440616 /nfs/dbraw/zinc/44/06/16/568440616.db2.gz XNAWGDYDMXYEMJ-NSHDSACASA-N 0 1 408.466 3.975 50 0 HHAAMN Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1C ZINC000049406643 568449005 /nfs/dbraw/zinc/44/90/05/568449005.db2.gz MZIQTKRIXZUTTJ-UHFFFAOYSA-N 0 1 420.488 3.867 50 0 HHAAMN CC(C)N(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O ZINC000215058061 568459582 /nfs/dbraw/zinc/45/95/82/568459582.db2.gz RPXAJGKWYYRERI-UHFFFAOYSA-N 0 1 407.314 3.955 50 0 HHAAMN CSc1ccc(CN(C)C(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012328351 568471991 /nfs/dbraw/zinc/47/19/91/568471991.db2.gz FMXDDIVMBJCQBG-IBGZPJMESA-N 0 1 411.571 3.718 50 0 HHAAMN NC(=O)CCN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041506 568473333 /nfs/dbraw/zinc/47/33/33/568473333.db2.gz OGAAPGIBCNGJKO-GOSISDBHSA-N 0 1 401.963 3.581 50 0 HHAAMN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000000819291 568496786 /nfs/dbraw/zinc/49/67/86/568496786.db2.gz XFCSKJFZANUPHW-UHFFFAOYSA-N 0 1 412.530 3.670 50 0 HHAAMN COc1cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000000819266 568496842 /nfs/dbraw/zinc/49/68/42/568496842.db2.gz MNJPTULOOPCEPH-UHFFFAOYSA-N 0 1 412.530 3.549 50 0 HHAAMN Cc1ccc2nc(N3CCC(C(=O)NCCc4c[nH]c5ccccc45)CC3)[nH]c2c1 ZINC000033070764 568511045 /nfs/dbraw/zinc/51/10/45/568511045.db2.gz GXPPRROODDSFIO-UHFFFAOYSA-N 0 1 401.514 3.928 50 0 HHAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C)cs2)cc1 ZINC000024983802 568514686 /nfs/dbraw/zinc/51/46/86/568514686.db2.gz IQSCSGOCXBPYNN-UHFFFAOYSA-N 0 1 417.512 3.903 50 0 HHAAMN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2c1C ZINC000019943939 568586258 /nfs/dbraw/zinc/58/62/58/568586258.db2.gz JDBCOZHEMXHBTG-UHFFFAOYSA-N 0 1 419.455 3.736 50 0 HHAAMN Cc1nc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c(Cl)cc1Cl ZINC000095457192 568618126 /nfs/dbraw/zinc/61/81/26/568618126.db2.gz AFEAEGNRNUTLNX-UHFFFAOYSA-N 0 1 401.250 3.822 50 0 HHAAMN CCN(CC)[C@H](CNC(=O)c1cccc(CNc2nccc(C)n2)c1)c1ccco1 ZINC000095467419 568624664 /nfs/dbraw/zinc/62/46/64/568624664.db2.gz HNVODDPTGBLQKZ-HXUWFJFHSA-N 0 1 407.518 3.803 50 0 HHAAMN CCn1ccnc1CN1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020996212 568656894 /nfs/dbraw/zinc/65/68/94/568656894.db2.gz HQIWJRDYRQRZNN-HXUWFJFHSA-N 0 1 421.511 3.708 50 0 HHAAMN COC(=O)[C@H]1CCCCC[C@@H]1NCc1nnc(-c2ccccc2Br)o1 ZINC000095941464 568662001 /nfs/dbraw/zinc/66/20/01/568662001.db2.gz FLZVHNUJTMWTCM-ZFWWWQNUSA-N 0 1 408.296 3.711 50 0 HHAAMN COCCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c1=O ZINC000021097777 568665481 /nfs/dbraw/zinc/66/54/81/568665481.db2.gz DAXVHDVYJPVIBC-NRFANRHFSA-N 0 1 404.938 3.983 50 0 HHAAMN Oc1ccc([C@@](O)(Cc2ccccc2)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000021170139 568676131 /nfs/dbraw/zinc/67/61/31/568676131.db2.gz KUHATIPKCXBPFU-UIOOFZCWSA-N 0 1 403.522 3.939 50 0 HHAAMN Brc1cc(CNCc2cnn(Cc3ccccc3)c2)cc2c1OCO2 ZINC000030907748 568687129 /nfs/dbraw/zinc/68/71/29/568687129.db2.gz VSNKYAYCRHRAJH-UHFFFAOYSA-N 0 1 400.276 3.712 50 0 HHAAMN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](c2cccs2)N(C)C)C[C@H](C)O1 ZINC000229832372 568715465 /nfs/dbraw/zinc/71/54/65/568715465.db2.gz UNEQDSMLZYIGND-JTDSTZFVSA-N 0 1 402.564 3.786 50 0 HHAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000018707743 568738858 /nfs/dbraw/zinc/73/88/58/568738858.db2.gz BGQSQHDHWNVYQS-UHFFFAOYSA-N 0 1 422.432 3.966 50 0 HHAAMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379683 568741341 /nfs/dbraw/zinc/74/13/41/568741341.db2.gz ZADYATIYYTZYGM-UHFFFAOYSA-N 0 1 414.487 3.952 50 0 HHAAMN Cc1nc(-c2csc(S(=O)(=O)Nc3ccc(Br)cc3F)c2)no1 ZINC000021701727 568741612 /nfs/dbraw/zinc/74/16/12/568741612.db2.gz FYACRWVELVHCHK-UHFFFAOYSA-N 0 1 418.269 3.809 50 0 HHAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)c1 ZINC000096379849 568741660 /nfs/dbraw/zinc/74/16/60/568741660.db2.gz YWNFUUCVINMDPC-UHFFFAOYSA-N 0 1 400.460 3.562 50 0 HHAAMN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)c(C)c1 ZINC000096379865 568741691 /nfs/dbraw/zinc/74/16/91/568741691.db2.gz IXNQBPDQZYUQCP-UHFFFAOYSA-N 0 1 402.476 3.677 50 0 HHAAMN CCOC(=O)C1C(CN[C@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057270679 568825434 /nfs/dbraw/zinc/82/54/34/568825434.db2.gz PAKCDGZQQXTOBB-JLTOFOAXSA-N 0 1 413.905 3.862 50 0 HHAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1 ZINC000057315522 568826842 /nfs/dbraw/zinc/82/68/42/568826842.db2.gz HLYPTPVLWFSIRW-LJQANCHMSA-N 0 1 401.510 3.948 50 0 HHAAMN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](C)c2ccccc2)c1 ZINC000057327208 568827037 /nfs/dbraw/zinc/82/70/37/568827037.db2.gz LQQQLJDRZBBNRX-HNNXBMFYSA-N 0 1 423.966 3.660 50 0 HHAAMN Cc1nn(C)c2nc(C)c(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)cc12 ZINC000029754310 568828904 /nfs/dbraw/zinc/82/89/04/568828904.db2.gz VNCUEGVMYNPBHM-IBGZPJMESA-N 0 1 411.575 3.850 50 0 HHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000003270403 568850270 /nfs/dbraw/zinc/85/02/70/568850270.db2.gz JMIUQHPONAUDRL-UHFFFAOYSA-N 0 1 414.458 3.565 50 0 HHAAMN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000012551247 568853138 /nfs/dbraw/zinc/85/31/38/568853138.db2.gz YAPLESTUCJFKDN-FPOVZHCZSA-N 0 1 415.509 3.517 50 0 HHAAMN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012551238 568853144 /nfs/dbraw/zinc/85/31/44/568853144.db2.gz YAPLESTUCJFKDN-TZIWHRDSSA-N 0 1 415.509 3.517 50 0 HHAAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000012552125 568853982 /nfs/dbraw/zinc/85/39/82/568853982.db2.gz IOIJGWJPXKPLNO-UHFFFAOYSA-N 0 1 413.826 3.563 50 0 HHAAMN CCCn1c(CN[C@@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012559449 568857072 /nfs/dbraw/zinc/85/70/72/568857072.db2.gz GAMQGVLSWZUWKZ-KRWDZBQOSA-N 0 1 414.575 3.856 50 0 HHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000003280444 568871627 /nfs/dbraw/zinc/87/16/27/568871627.db2.gz POQUQPXAZHZDLB-UHFFFAOYSA-N 0 1 422.388 3.549 50 0 HHAAMN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 ZINC000004061883 568881602 /nfs/dbraw/zinc/88/16/02/568881602.db2.gz IYKRYPCAWRTXRE-HVCNVCAESA-N 0 1 408.542 3.680 50 0 biogenic HHAAMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000012728104 568920773 /nfs/dbraw/zinc/92/07/73/568920773.db2.gz BVYROVAJBLKAKV-QFIPXVFZSA-N 0 1 416.525 3.625 50 0 HHAAMN Cc1ccc(N2C(=O)C3=C(C(=O)c4ccccc4)NN(c4ccccc4)C3C2=O)cc1 ZINC000004812143 568937699 /nfs/dbraw/zinc/93/76/99/568937699.db2.gz DMUYGKQUBDIZPA-IRLDBZIGSA-N 0 1 409.445 3.612 50 0 HHAAMN Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(-c4ccno4)o3)C(C)C)[nH]c2c1 ZINC000670458674 568944980 /nfs/dbraw/zinc/94/49/80/568944980.db2.gz XZVQCHKZSSAPBA-GOSISDBHSA-N 0 1 400.460 3.795 50 0 HHAAMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012780172 568957051 /nfs/dbraw/zinc/95/70/51/568957051.db2.gz YVBRVSFFJJXLFK-UHFFFAOYSA-N 0 1 423.557 3.870 50 0 HHAAMN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000008230690 568983926 /nfs/dbraw/zinc/98/39/26/568983926.db2.gz VCVGDGPQLZCLAB-FQEVSTJZSA-N 0 1 408.933 3.898 50 0 HHAAMN Cc1cccc(NC(=O)CNC(=O)CN[C@@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000012810625 568984955 /nfs/dbraw/zinc/98/49/55/568984955.db2.gz BWEUUEODRDZOJU-HNNXBMFYSA-N 0 1 407.436 3.728 50 0 HHAAMN O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(Cl)cc1Cl ZINC000011697786 568986396 /nfs/dbraw/zinc/98/63/96/568986396.db2.gz TWIPKCPZYZMELG-UHFFFAOYSA-N 0 1 403.273 3.764 50 0 HHAAMN O=C(NC[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)NC1CCCCC1 ZINC000038628415 569003758 /nfs/dbraw/zinc/00/37/58/569003758.db2.gz MZUOQMPONHUFRJ-XMMPIXPASA-N 0 1 421.589 3.572 50 0 HHAAMN O=C(NCCN(CCc1ccccc1)Cc1ccco1)N[C@H]1COc2ccccc2C1 ZINC000015787327 569007903 /nfs/dbraw/zinc/00/79/03/569007903.db2.gz STGQYHAYOMRZSY-JOCHJYFZSA-N 0 1 419.525 3.627 50 0 HHAAMN CCOc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1 ZINC000104558936 569009094 /nfs/dbraw/zinc/00/90/94/569009094.db2.gz VZJSDKBTQGQFNB-HSZRJFAPSA-N 0 1 420.557 3.544 50 0 HHAAMN COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000006176960 569017516 /nfs/dbraw/zinc/01/75/16/569017516.db2.gz ZNQPVBPSCHGQPM-UHFFFAOYSA-N 0 1 402.516 3.821 50 0 HHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Br)c3)c(C)s2)no1 ZINC000035539205 569043590 /nfs/dbraw/zinc/04/35/90/569043590.db2.gz TZJOWYNVZLKUKK-UHFFFAOYSA-N 0 1 414.306 3.978 50 0 HHAAMN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064197649 569045894 /nfs/dbraw/zinc/04/58/94/569045894.db2.gz AMUPFGDCAJZQCJ-ICPLQIHGSA-N 0 1 411.477 3.645 50 0 HHAAMN O=C(COc1ccc(Cl)cc1Cl)NCc1n[nH]c(=S)n1-c1ccccc1 ZINC000006423225 569048456 /nfs/dbraw/zinc/04/84/56/569048456.db2.gz YFHRADSJJIKPJF-UHFFFAOYSA-N 0 1 409.298 3.932 50 0 HHAAMN COc1cc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)ccc1O ZINC000064450202 569062785 /nfs/dbraw/zinc/06/27/85/569062785.db2.gz JQNJNTJKRRFZMZ-QGZVFWFLSA-N 0 1 405.454 3.820 50 0 HHAAMN CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035871204 569064013 /nfs/dbraw/zinc/06/40/13/569064013.db2.gz PCQKJBXXDHGCIA-PZJWPPBQSA-N 0 1 417.475 3.705 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2OC)N(C)C)cc1OC ZINC000006561013 569066056 /nfs/dbraw/zinc/06/60/56/569066056.db2.gz NAZQJDCWYPKVGG-FQEVSTJZSA-N 0 1 408.498 3.898 50 0 HHAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)cc1OC ZINC000036096010 569090071 /nfs/dbraw/zinc/09/00/71/569090071.db2.gz IVYFEPITMXGQEA-OAQYLSRUSA-N 0 1 405.510 3.879 50 0 HHAAMN Cc1cccc(N2CCN(C(=O)C3=CCN(Cc4cccc(F)c4)CC3)CC2)c1C ZINC000064818076 569101290 /nfs/dbraw/zinc/10/12/90/569101290.db2.gz MDFBFYJKSOATBI-UHFFFAOYSA-N 0 1 407.533 3.923 50 0 HHAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)c1 ZINC000006743305 569107922 /nfs/dbraw/zinc/10/79/22/569107922.db2.gz XCOYIZFJDHXQOS-QHCPKHFHSA-N 0 1 421.497 3.725 50 0 HHAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000006752838 569111462 /nfs/dbraw/zinc/11/14/62/569111462.db2.gz QTWCEAFQJKYBQO-QFIPXVFZSA-N 0 1 407.470 3.763 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000036341604 569141958 /nfs/dbraw/zinc/14/19/58/569141958.db2.gz KPTYIQGOLKROOW-JOCHJYFZSA-N 0 1 410.949 3.655 50 0 HHAAMN CN(C)[C@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369837 569153795 /nfs/dbraw/zinc/15/37/95/569153795.db2.gz OYBOOSWHSZRNLY-RCZVLFRGSA-N 0 1 412.493 3.662 50 0 biogenic HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866724 569158909 /nfs/dbraw/zinc/15/89/09/569158909.db2.gz USDKZRWKVIELHS-CQSZACIVSA-N 0 1 400.500 3.574 50 0 HHAAMN CCCCN1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3CC)CC1 ZINC000065241370 569204112 /nfs/dbraw/zinc/20/41/12/569204112.db2.gz ORVFXKSXTZWRAB-UHFFFAOYSA-N 0 1 424.570 3.771 50 0 HHAAMN CCCOc1ccc(Br)cc1[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000007126243 569223489 /nfs/dbraw/zinc/22/34/89/569223489.db2.gz NYSLPPAOCXOEQG-INIZCTEOSA-N 0 1 400.280 3.684 50 0 HHAAMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1C[C@H](C)C[C@H](C)C1 ZINC000007191852 569228093 /nfs/dbraw/zinc/22/80/93/569228093.db2.gz RDSJYKRISOPYFL-HDICACEKSA-N 0 1 418.607 3.709 50 0 HHAAMN COc1cc(C)c(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1OC ZINC000170599574 569242826 /nfs/dbraw/zinc/24/28/26/569242826.db2.gz BHTGGWLVFILRJG-MRXNPFEDSA-N 0 1 408.420 3.926 50 0 HHAAMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000007505381 569243407 /nfs/dbraw/zinc/24/34/07/569243407.db2.gz VKKIRSDUKKCENA-UHFFFAOYSA-N 0 1 407.488 3.589 50 0 HHAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=N)N(c3ccccc3C)C2=O)cc1 ZINC000170623867 569249855 /nfs/dbraw/zinc/24/98/55/569249855.db2.gz WDBICNVICXWEDB-QGZVFWFLSA-N 0 1 411.483 3.584 50 0 HHAAMN COc1cc(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc(OC)c1OC ZINC000071283248 569251828 /nfs/dbraw/zinc/25/18/28/569251828.db2.gz RCBOFRIQCXJSMC-UHFFFAOYSA-N 0 1 404.426 3.903 50 0 HHAAMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000252022269 569272898 /nfs/dbraw/zinc/27/28/98/569272898.db2.gz ZIXHHZJJVCNDCX-JPYJTQIMSA-N 0 1 403.530 3.796 50 0 HHAAMN Fc1cccc2ncnc(N3CCN(CCCc4nc(-c5cccs5)no4)CC3)c12 ZINC000078806361 569420536 /nfs/dbraw/zinc/42/05/36/569420536.db2.gz LBSXHVBMJAHZGY-UHFFFAOYSA-N 0 1 424.505 3.635 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCCC2)cc1 ZINC000008867639 571129349 /nfs/dbraw/zinc/12/93/49/571129349.db2.gz DGKIEZUGTSMSOJ-OAQYLSRUSA-N 0 1 406.482 3.759 50 0 HHAAMN CN1CCN(c2ccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cc2)CC1 ZINC000040015810 571138745 /nfs/dbraw/zinc/13/87/45/571138745.db2.gz HSOUVDLCFBDKEM-UHFFFAOYSA-N 0 1 409.921 3.589 50 0 HHAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1F ZINC000008893346 571143097 /nfs/dbraw/zinc/14/30/97/571143097.db2.gz YLFWZWWLHLRHTG-IBGZPJMESA-N 0 1 403.523 3.868 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1OC ZINC000008901159 571144541 /nfs/dbraw/zinc/14/45/41/571144541.db2.gz ZSXKIKQPFAOICS-SFHVURJKSA-N 0 1 424.588 3.661 50 0 HHAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1C ZINC000008901312 571144580 /nfs/dbraw/zinc/14/45/80/571144580.db2.gz YHDXFRQXYIGQSG-IBGZPJMESA-N 0 1 408.589 3.961 50 0 HHAAMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000040071869 571152321 /nfs/dbraw/zinc/15/23/21/571152321.db2.gz KHTFWAWYEABQBL-NRFANRHFSA-N 0 1 407.518 3.718 50 0 HHAAMN CCOc1ccc2nc(SCC(=O)c3ccc(CCNC(C)=O)c(F)c3)[nH]c2c1 ZINC000040123138 571179074 /nfs/dbraw/zinc/17/90/74/571179074.db2.gz MZNRFRVSXIANQH-UHFFFAOYSA-N 0 1 415.490 3.754 50 0 HHAAMN CC1=Nc2ncnn2[C@H](c2c[nH]c3ccccc32)C1NC(=O)c1ccc(Cl)cc1 ZINC000008990866 571207000 /nfs/dbraw/zinc/20/70/00/571207000.db2.gz RJHVYFHHUZBEMR-LJQANCHMSA-N 0 1 404.861 3.742 50 0 HHAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3cccc(O)c3)c2c1 ZINC000008992730 571207641 /nfs/dbraw/zinc/20/76/41/571207641.db2.gz XRDBUEQSZPTOPC-QFIPXVFZSA-N 0 1 402.454 3.702 50 0 HHAAMN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1cnc[nH]1)occ3C(C)(C)C ZINC000008992848 571207799 /nfs/dbraw/zinc/20/77/99/571207799.db2.gz LPFUNPJNQXHSAF-UHFFFAOYSA-N 0 1 407.470 3.770 50 0 HHAAMN CN1C(=O)NC(=O)C(=C2C[C@@H](c3ccc(Cl)cc3)Sc3ccccc3N2)C1=O ZINC000008997175 571209066 /nfs/dbraw/zinc/20/90/66/571209066.db2.gz JYITXVGECNYZHK-GDGUIRGDSA-N 0 1 413.886 3.951 50 0 HHAAMN O=C(c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCc2ccccc21 ZINC000009151978 571230721 /nfs/dbraw/zinc/23/07/21/571230721.db2.gz MYUAJDVAXNBENZ-UHFFFAOYSA-N 0 1 413.886 3.739 50 0 HHAAMN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000009198183 571236184 /nfs/dbraw/zinc/23/61/84/571236184.db2.gz UXDRGADJVHXCPC-UHFFFAOYSA-N 0 1 402.863 3.643 50 0 HHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000009406946 571255512 /nfs/dbraw/zinc/25/55/12/571255512.db2.gz DRLYCWCWHVGUEO-GFCCVEGCSA-N 0 1 422.528 3.718 50 0 HHAAMN COc1ccc([C@H](CNC(=O)c2cncc(Br)c2)N2CCCCC2)cc1 ZINC000009516076 571264985 /nfs/dbraw/zinc/26/49/85/571264985.db2.gz VLJNMINLRJKKMY-IBGZPJMESA-N 0 1 418.335 3.810 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000009572183 571269120 /nfs/dbraw/zinc/26/91/20/571269120.db2.gz MOQVRRRRCRUAOH-UHFFFAOYSA-N 0 1 408.483 3.823 50 0 HHAAMN O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccc(C(F)(F)F)cc1 ZINC000009708789 571280978 /nfs/dbraw/zinc/28/09/78/571280978.db2.gz MXIAABAQYGZCDD-UHFFFAOYSA-N 0 1 415.418 3.548 50 0 HHAAMN Cc1nc(C)c(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)nc1C ZINC000011820119 962199157 /nfs/dbraw/zinc/19/91/57/962199157.db2.gz YDEAGFNIGFKKBC-LJQANCHMSA-N 0 1 404.518 3.643 50 0 HHAAMN C[C@@H]1CN(CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000011910227 962207094 /nfs/dbraw/zinc/20/70/94/962207094.db2.gz AHEOTJSPZQIZCU-DENIHFKCSA-N 0 1 406.526 3.781 50 0 HHAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc3nsnc3c2)CC1)C1CCCC1 ZINC000011934686 962210930 /nfs/dbraw/zinc/21/09/30/962210930.db2.gz GXHGNVDKZRZMPC-UHFFFAOYSA-N 0 1 410.547 3.854 50 0 HHAAMN C[C@H](CNC(=O)/C=C/c1cccc(F)c1)Oc1cccc(CN2CCSCC2)c1 ZINC000012053585 962229847 /nfs/dbraw/zinc/22/98/47/962229847.db2.gz XNOXUVFOBVXYBB-GFOMBABLSA-N 0 1 414.546 3.971 50 0 HHAAMN Cc1nc2sccn2c1CN1CCC2(C[C@H]2C(=O)N2CCc3ccccc3C2)CC1 ZINC000012246426 962257396 /nfs/dbraw/zinc/25/73/96/962257396.db2.gz WFCKEDONVDQWJS-FQEVSTJZSA-N 0 1 420.582 3.891 50 0 HHAAMN COc1cccc(CN2CCC[C@@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 ZINC000012433975 962278839 /nfs/dbraw/zinc/27/88/39/962278839.db2.gz VHPVLUDDAXPWNQ-LJQANCHMSA-N 0 1 408.477 3.619 50 0 HHAAMN Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)c(C)cc1Cl ZINC000012434547 962279397 /nfs/dbraw/zinc/27/93/97/962279397.db2.gz LAPZPUGWSBIQQC-IBGZPJMESA-N 0 1 421.994 3.679 50 0 HHAAMN COc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(OC)c1 ZINC000012572437 962293046 /nfs/dbraw/zinc/29/30/46/962293046.db2.gz AQPREOMZFLPOKD-UHFFFAOYSA-N 0 1 412.534 3.866 50 0 HHAAMN Cc1csc(CN(C)[C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000014965744 962614308 /nfs/dbraw/zinc/61/43/08/962614308.db2.gz WMDDMEQNLBPIGF-OAHLLOKOSA-N 0 1 421.950 3.847 50 0 HHAAMN COc1ccc(F)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c1 ZINC000020207753 963384831 /nfs/dbraw/zinc/38/48/31/963384831.db2.gz XMBQAQFJJRDWMU-JBUDQFAYSA-N 0 1 410.489 3.781 50 0 HHAAMN COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4F)N4CCC[C@@]34C2=O)cc1 ZINC000020915575 963403101 /nfs/dbraw/zinc/40/31/01/963403101.db2.gz SFPUNIYHBKSXDS-OWSXEPHWSA-N 0 1 410.489 3.781 50 0 HHAAMN COc1ccc(N[C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000055325161 965818626 /nfs/dbraw/zinc/81/86/26/965818626.db2.gz HFHVUMHYWXULLZ-QGZVFWFLSA-N 0 1 402.564 3.837 50 0 HHAAMN C[C@@H]1CN(CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000039399475 966492353 /nfs/dbraw/zinc/49/23/53/966492353.db2.gz AHEOTJSPZQIZCU-KNQAVFIVSA-N 0 1 406.526 3.781 50 0 HHAAMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)s2)C[C@H](C)O1 ZINC000084706104 969037929 /nfs/dbraw/zinc/03/79/29/969037929.db2.gz SYXJJCPLCGFMTF-GLGQINJFSA-N 0 1 413.381 3.624 50 0 HHAAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000096939451 969058413 /nfs/dbraw/zinc/05/84/13/969058413.db2.gz JQCQRCHXFGFZFK-TWLAMCEISA-N 0 1 412.446 3.962 50 0 HHAAMN C[C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000096939450 969058628 /nfs/dbraw/zinc/05/86/28/969058628.db2.gz JQCQRCHXFGFZFK-REPPVQDKSA-N 0 1 412.446 3.962 50 0 HHAAMN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108351344 969376199 /nfs/dbraw/zinc/37/61/99/969376199.db2.gz VZUKITQPOHGDGQ-NIKGAXFTSA-N 0 1 407.297 3.909 50 0 HHAAMN CC1(c2noc(C3CC3)n2)CCN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000169784526 970481639 /nfs/dbraw/zinc/48/16/39/970481639.db2.gz LZOISRSOOQJZKD-UHFFFAOYSA-N 0 1 413.909 3.990 50 0 HHAAMN O=C(c1ccccc1)N1CCCn2ccnc2[C@@H]1C1CCN(Cc2cccnc2)CC1 ZINC000257193187 970625079 /nfs/dbraw/zinc/62/50/79/970625079.db2.gz XQORZZZSZMYNDI-QHCPKHFHSA-N 0 1 415.541 3.778 50 0 HHAAMN c1ccc(N2CCN(CCc3nc4c5c6c(sc5ncn4n3)CCCC6)CC2)cc1 ZINC000003207509 132263338 /nfs/dbraw/zinc/26/33/38/132263338.db2.gz LGAXLBKEHDOWBH-UHFFFAOYSA-N 0 1 418.570 3.583 50 0 HHAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000004191794 132272696 /nfs/dbraw/zinc/27/26/96/132272696.db2.gz XOLWHVLUFVZJCJ-UHFFFAOYSA-N 0 1 414.569 3.606 50 0 HHAAMN O=C1c2cccc3cccc(c32)C(=O)N1CCCN1CCN(c2ccc(F)cc2)CC1 ZINC000004193886 132273077 /nfs/dbraw/zinc/27/30/77/132273077.db2.gz HUEQBQBFEDPHSG-UHFFFAOYSA-N 0 1 417.484 3.787 50 0 HHAAMN CCc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 ZINC000011697978 132350027 /nfs/dbraw/zinc/35/00/27/132350027.db2.gz HKFGFXJNUHCWCR-UHFFFAOYSA-N 0 1 403.490 3.532 50 0 HHAAMN COc1ccc(OC)c(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000015078288 132461319 /nfs/dbraw/zinc/46/13/19/132461319.db2.gz BRGUUDSBTGIUNT-FQEVSTJZSA-N 0 1 424.545 3.522 50 0 HHAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccccc3C)c(Br)cc2C[C@@H]1C ZINC000040450642 519638813 /nfs/dbraw/zinc/63/88/13/519638813.db2.gz BIEWGSUETUXVQI-LBPRGKRZSA-N 0 1 423.332 3.856 50 0 HHAAMN CCN(CC)C(=O)COc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1Cl ZINC000032818511 520490019 /nfs/dbraw/zinc/49/00/19/520490019.db2.gz RCKDXXKSFXMUPT-UHFFFAOYSA-N 0 1 400.866 3.716 50 0 HHAAMN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000036616753 521671885 /nfs/dbraw/zinc/67/18/85/521671885.db2.gz OFSKHTBLKGWDSR-UHFFFAOYSA-N 0 1 418.545 3.723 50 0 HHAAMN CCc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397509 522711041 /nfs/dbraw/zinc/71/10/41/522711041.db2.gz XAVMZOHVXXBKNM-UHFFFAOYSA-N 0 1 418.888 3.893 50 0 HHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F ZINC000040286995 522988743 /nfs/dbraw/zinc/98/87/43/522988743.db2.gz SIAVYENIJXSCJQ-LJQANCHMSA-N 0 1 422.888 3.593 50 0 HHAAMN C[C@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)n1c(=O)oc2ccccc21 ZINC000032888463 526033659 /nfs/dbraw/zinc/03/36/59/526033659.db2.gz YWEAGEKUBZQGBL-OAHLLOKOSA-N 0 1 413.905 3.590 50 0 HHAAMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032777584 526046229 /nfs/dbraw/zinc/04/62/29/526046229.db2.gz RFMNTIGAZSXKKY-LBPRGKRZSA-N 0 1 403.331 3.713 50 0 HHAAMN O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000032888163 527255450 /nfs/dbraw/zinc/25/54/50/527255450.db2.gz PJAKYSMVIMSZFM-UHFFFAOYSA-N 0 1 403.378 3.590 50 0 HHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000032879883 527529197 /nfs/dbraw/zinc/52/91/97/527529197.db2.gz NTPAXDCUFWYFPJ-IBGZPJMESA-N 0 1 415.896 3.686 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)CCc2nc(-c3ccsc3)no2)CC1 ZINC000012516196 535753766 /nfs/dbraw/zinc/75/37/66/535753766.db2.gz YOTVIWWZYMMGIA-UHFFFAOYSA-N 0 1 411.531 3.511 50 0 HHAAMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000000679570 557055279 /nfs/dbraw/zinc/05/52/79/557055279.db2.gz JHIMEVXREAHWQV-UHFFFAOYSA-N 0 1 410.587 3.863 50 0 HHAAMN CCOC(=O)c1ccccc1NC1=C[C@](C)(C(=O)OCC)N(c2ccccc2)C1=O ZINC000002266286 557332886 /nfs/dbraw/zinc/33/28/86/557332886.db2.gz MRASNRVIMAUAAM-HSZRJFAPSA-N 0 1 408.454 3.528 50 0 HHAAMN Cc1ccc(N2CCN(Cc3ccc(C(=O)NCCc4ccccn4)cc3)CC2)cc1 ZINC000034668274 557362027 /nfs/dbraw/zinc/36/20/27/557362027.db2.gz LKCWHNMYBCTTFA-UHFFFAOYSA-N 0 1 414.553 3.685 50 0 HHAAMN O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000002685100 557367441 /nfs/dbraw/zinc/36/74/41/557367441.db2.gz ZFGIMDPUXUBQIX-UHFFFAOYSA-N 0 1 407.451 3.559 50 0 HHAAMN CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002853603 557405975 /nfs/dbraw/zinc/40/59/75/557405975.db2.gz WCAFMGZKRJYAQQ-GOSISDBHSA-N 0 1 400.837 3.692 50 0 HHAAMN CCOC(=O)[C@@](NC(=O)Nc1ccccc1)(Nc1ccccc1OC)C(F)(F)F ZINC000003138630 557450502 /nfs/dbraw/zinc/45/05/02/557450502.db2.gz COAYCZQOTQXSIA-SFHVURJKSA-N 0 1 411.380 3.751 50 0 HHAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)C1CC1 ZINC000034834953 557467620 /nfs/dbraw/zinc/46/76/20/557467620.db2.gz IFXKCGRDXKFADW-IBGZPJMESA-N 0 1 423.605 3.860 50 0 HHAAMN CCCOc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc(OC)cc2)cc1 ZINC000004113514 557514979 /nfs/dbraw/zinc/51/49/79/557514979.db2.gz OUBCGYLJZNONMI-NRFANRHFSA-N 0 1 410.470 3.855 50 0 HHAAMN COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004580653 557569791 /nfs/dbraw/zinc/56/97/91/557569791.db2.gz QZNZOBOKUWWCKM-UHFFFAOYSA-N 0 1 418.603 3.587 50 0 HHAAMN CN(C)CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccc(F)cc2s1 ZINC000022664352 557712133 /nfs/dbraw/zinc/71/21/33/557712133.db2.gz DTHLAEJUPVJFMF-XBXARRHUSA-N 0 1 413.474 3.772 50 0 HHAAMN O=c1c2ccccc2cnn1CCc1n[nH]c(=S)n1-c1ccc(F)c(Cl)c1 ZINC000008738194 557803234 /nfs/dbraw/zinc/80/32/34/557803234.db2.gz HFYKZDVJXLVKBC-UHFFFAOYSA-N 0 1 401.854 3.675 50 0 HHAAMN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000011753771 558272490 /nfs/dbraw/zinc/27/24/90/558272490.db2.gz QXMMVGUFLRJNAX-UHFFFAOYSA-N 0 1 407.518 3.959 50 0 HHAAMN COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)c1 ZINC000011784937 558275526 /nfs/dbraw/zinc/27/55/26/558275526.db2.gz XNORGPHZIHENGP-KRWDZBQOSA-N 0 1 407.518 3.866 50 0 HHAAMN OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 ZINC000019792502 558283380 /nfs/dbraw/zinc/28/33/80/558283380.db2.gz LSHMMYOHQJABAR-JOCHJYFZSA-N 0 1 407.583 3.921 50 0 HHAAMN COCCNC(=O)c1ccc(OC2CCN(C/C=C/c3ccco3)CC2)c(Cl)c1 ZINC000011841646 558287172 /nfs/dbraw/zinc/28/71/72/558287172.db2.gz DTTFNOCKKPQEDQ-DUXPYHPUSA-N 0 1 418.921 3.866 50 0 HHAAMN O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCCN1Cc1nc2ccc(F)cc2[nH]1 ZINC000011935586 558299678 /nfs/dbraw/zinc/29/96/78/558299678.db2.gz ZPLNYALXRZZWAT-NRFANRHFSA-N 0 1 418.476 3.881 50 0 HHAAMN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCCN1Cc1nc2ccc(F)cc2[nH]1 ZINC000011935585 558299811 /nfs/dbraw/zinc/29/98/11/558299811.db2.gz ZPLNYALXRZZWAT-OAQYLSRUSA-N 0 1 418.476 3.881 50 0 HHAAMN CN1CCN(Cc2cc(Cl)c3cccnc3c2OC(=O)c2cccs2)CC1 ZINC000019878902 558300240 /nfs/dbraw/zinc/30/02/40/558300240.db2.gz ZBTPFTLDGWUGCW-UHFFFAOYSA-N 0 1 401.919 3.916 50 0 HHAAMN O=C(NCCc1cscn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011938004 558301505 /nfs/dbraw/zinc/30/15/05/558301505.db2.gz BNQMXKYCLUTFAM-UHFFFAOYSA-N 0 1 422.554 3.554 50 0 HHAAMN O=C(c1cc(COc2c(F)cccc2F)on1)N1CCN(C2CCCCC2)CC1 ZINC000012075890 558319636 /nfs/dbraw/zinc/31/96/36/558319636.db2.gz FMDDAEIWZPFYOP-UHFFFAOYSA-N 0 1 405.445 3.622 50 0 HHAAMN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000020322038 558355234 /nfs/dbraw/zinc/35/52/34/558355234.db2.gz XVQLFUYIUMRBTP-UHFFFAOYSA-N 0 1 419.525 3.874 50 0 HHAAMN COc1ccc(-c2ncc(CN3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 ZINC000012300822 558370592 /nfs/dbraw/zinc/37/05/92/558370592.db2.gz KAUUPZPROPIMAH-HXUWFJFHSA-N 0 1 418.497 3.957 50 0 HHAAMN Cc1nn(C)cc1[C@@H](C)NCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012316340 558379681 /nfs/dbraw/zinc/37/96/81/558379681.db2.gz VGONXDGCNFVQQS-QGZVFWFLSA-N 0 1 408.550 3.552 50 0 HHAAMN CCCc1cc(CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)n[nH]1 ZINC000012433984 558407784 /nfs/dbraw/zinc/40/77/84/558407784.db2.gz YVYZOYOVVFJVES-UHFFFAOYSA-N 0 1 405.458 3.750 50 0 HHAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2F)cc1 ZINC000020745664 558410528 /nfs/dbraw/zinc/41/05/28/558410528.db2.gz AYSDKSBTHCEYKH-IBGZPJMESA-N 0 1 412.396 3.654 50 0 HHAAMN Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cnc(N3CCOCC3)s2)cc1C ZINC000012589812 558435318 /nfs/dbraw/zinc/43/53/18/558435318.db2.gz OHHNYVVZHQDBPB-NRFANRHFSA-N 0 1 423.586 3.949 50 0 HHAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OC)cc1 ZINC000021782794 558448218 /nfs/dbraw/zinc/44/82/18/558448218.db2.gz BQSRUGLHTOCMQS-JOCHJYFZSA-N 0 1 407.470 3.681 50 0 HHAAMN CCc1ccc2nc(N(CCN(C)C)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 ZINC000004359213 558450029 /nfs/dbraw/zinc/45/00/29/558450029.db2.gz WZNLSWKBBIHKCO-IBGZPJMESA-N 0 1 411.527 3.593 50 0 HHAAMN Cc1cc(C)c(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000022852437 558517242 /nfs/dbraw/zinc/51/72/42/558517242.db2.gz LTVYVQZJRFFSKI-OAQYLSRUSA-N 0 1 410.587 3.619 50 0 HHAAMN Cc1ccc(NC(=O)CN2CCN(CCc3ccccc3)CC2)c(Br)c1 ZINC000022913031 558520091 /nfs/dbraw/zinc/52/00/91/558520091.db2.gz STYXRHGXPJCNOZ-UHFFFAOYSA-N 0 1 416.363 3.556 50 0 HHAAMN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000013549931 558538788 /nfs/dbraw/zinc/53/87/88/558538788.db2.gz LYMGFFRMVMJAKV-UHFFFAOYSA-N 0 1 404.426 3.918 50 0 HHAAMN Cc1ccc(NC(=O)CN(C)C(=O)CN[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000014184974 558630005 /nfs/dbraw/zinc/63/00/05/558630005.db2.gz UVIYHBOQRJZEEP-OAHLLOKOSA-N 0 1 407.436 3.762 50 0 HHAAMN Cc1c(C(=O)NC2(CN3CCCCC3)CCCCC2)sc2[nH]c(C)nc(=O)c12 ZINC000014187926 558631655 /nfs/dbraw/zinc/63/16/55/558631655.db2.gz PSRDITRDGWIHCR-UHFFFAOYSA-N 0 1 402.564 3.520 50 0 HHAAMN COc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000025512657 558642300 /nfs/dbraw/zinc/64/23/00/558642300.db2.gz GFHOVHHRAYOHTE-HNNXBMFYSA-N 0 1 402.516 3.675 50 0 HHAAMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccsc1 ZINC000025813558 558650818 /nfs/dbraw/zinc/65/08/18/558650818.db2.gz SEWXKQDNQNIKJV-KRWDZBQOSA-N 0 1 419.348 3.933 50 0 HHAAMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C(C)(C)C)n[nH]1)CCCC2 ZINC000028788627 558704537 /nfs/dbraw/zinc/70/45/37/558704537.db2.gz SMRCSWRCKODIEJ-UHFFFAOYSA-N 0 1 422.576 3.950 50 0 HHAAMN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000015077755 558717417 /nfs/dbraw/zinc/71/74/17/558717417.db2.gz HZYSJVHDQRMJPT-NRFANRHFSA-N 0 1 423.529 3.875 50 0 HHAAMN CCN1CCN(c2ccccc2NC(=O)NCCC[C@](C)(CC)C2OCCO2)CC1 ZINC000072306198 558765159 /nfs/dbraw/zinc/76/51/59/558765159.db2.gz IVCJQFVHWWIXBC-QHCPKHFHSA-N 0 1 418.582 3.519 50 0 HHAAMN C[C@H](NC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1)c1ccccc1 ZINC000016034004 558769447 /nfs/dbraw/zinc/76/94/47/558769447.db2.gz GAIXORVAXMXKSY-OHYLTARVSA-N 0 1 419.569 3.501 50 0 HHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016626696 558797271 /nfs/dbraw/zinc/79/72/71/558797271.db2.gz LUSPHZZTKHVLCL-UHFFFAOYSA-N 0 1 420.556 3.844 50 0 HHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013696593 558856505 /nfs/dbraw/zinc/85/65/05/558856505.db2.gz PMBKVQMNZBPHOT-UHFFFAOYSA-N 0 1 412.467 3.600 50 0 HHAAMN Cc1ccc(CCC(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055042135 558870370 /nfs/dbraw/zinc/87/03/70/558870370.db2.gz PVJIDBIDJUTCTG-DEOSSOPVSA-N 0 1 409.549 3.880 50 0 HHAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)CC1 ZINC000055309205 558878791 /nfs/dbraw/zinc/87/87/91/558878791.db2.gz HJAPBHYOOXOINI-HSZRJFAPSA-N 0 1 409.549 3.880 50 0 HHAAMN COc1cccc([C@H](CNC(=O)N2CCc3cc(Br)ccc32)N(C)C)c1 ZINC000058163196 558906548 /nfs/dbraw/zinc/90/65/48/558906548.db2.gz WWQIOPIUYFPNJP-IBGZPJMESA-N 0 1 418.335 3.833 50 0 HHAAMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCNC4=O)cc3)n2)cc1 ZINC000058232243 558914077 /nfs/dbraw/zinc/91/40/77/558914077.db2.gz MIQPEQLBIGYJCI-UHFFFAOYSA-N 0 1 404.474 3.551 50 0 HHAAMN CCC[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000058341324 558920363 /nfs/dbraw/zinc/92/03/63/558920363.db2.gz BDRABATXNHENBH-LJQANCHMSA-N 0 1 423.492 3.839 50 0 HHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 ZINC000072115499 558926728 /nfs/dbraw/zinc/92/67/28/558926728.db2.gz FWPPIRAWVYTHOZ-UHFFFAOYSA-N 0 1 408.550 3.746 50 0 HHAAMN Cc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc(N2CCCCC2)n1 ZINC000064799805 558965497 /nfs/dbraw/zinc/96/54/97/558965497.db2.gz BFGDIJUEDMORFT-UHFFFAOYSA-N 0 1 417.916 3.530 50 0 HHAAMN CCc1ccccc1NC(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1 ZINC000065362386 558973209 /nfs/dbraw/zinc/97/32/09/558973209.db2.gz MWIHHDZVKPOSAM-UHFFFAOYSA-N 0 1 408.550 3.692 50 0 HHAAMN COc1ccc(NC(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1 ZINC000065364150 558975135 /nfs/dbraw/zinc/97/51/35/558975135.db2.gz PXIRXOVOVIKONN-UHFFFAOYSA-N 0 1 424.549 3.892 50 0 HHAAMN COC(=O)c1ccc(N2CCN(C(C)C)CC2)c(NC(=O)CCc2ccccc2)c1 ZINC000033278761 559042338 /nfs/dbraw/zinc/04/23/38/559042338.db2.gz ZETBHPLJUCJMPP-UHFFFAOYSA-N 0 1 409.530 3.575 50 0 HHAAMN O[C@H](Cn1ccc2ccccc21)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095626628 559087578 /nfs/dbraw/zinc/08/75/78/559087578.db2.gz CIRWJIBTDIZRSF-SFHVURJKSA-N 0 1 401.913 3.613 50 0 HHAAMN CC(C)(C)OC(=O)NC1CCC(N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000095630341 559087769 /nfs/dbraw/zinc/08/77/69/559087769.db2.gz ALNSORIFMQKXTJ-UHFFFAOYSA-N 0 1 417.550 3.777 50 0 HHAAMN CCN1CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 ZINC000023467880 559175853 /nfs/dbraw/zinc/17/58/53/559175853.db2.gz OXJYVEVAPHBROP-UHFFFAOYSA-N 0 1 418.335 3.817 50 0 HHAAMN COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)/C=C/c3cccs3)nc21 ZINC000005121716 559248549 /nfs/dbraw/zinc/24/85/49/559248549.db2.gz FLHNXQCEOOJUGR-JXMROGBWSA-N 0 1 417.556 3.983 50 0 HHAAMN O=C(CC1(n2cccc2)CCOCC1)Nc1nc(-c2ccc(F)c(Cl)c2)n[nH]1 ZINC000409414733 559250213 /nfs/dbraw/zinc/25/02/13/559250213.db2.gz VUUZMIPKOAEAOL-UHFFFAOYSA-N 0 1 403.845 3.600 50 0 HHAAMN O=C(c1ccccc1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019626261 560555639 /nfs/dbraw/zinc/55/56/39/560555639.db2.gz RUTWJFHUJLHOGI-OAQYLSRUSA-N 0 1 413.521 3.613 50 0 biogenic,in-vitro HHAAMN COc1ccc2nc(CN3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)[nH]c2c1 ZINC000062012590 560567017 /nfs/dbraw/zinc/56/70/17/560567017.db2.gz UASUAMDTJVOWFX-UHFFFAOYSA-N 0 1 424.570 3.789 50 0 HHAAMN COc1cc(OC)c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1Cl ZINC000012038726 560887704 /nfs/dbraw/zinc/88/77/04/560887704.db2.gz VLJAKKNUFBXFSX-UHFFFAOYSA-N 0 1 404.879 3.873 50 0 HHAAMN Cc1c2ccccc2oc1-c1noc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)n1 ZINC000085801283 560896774 /nfs/dbraw/zinc/89/67/74/560896774.db2.gz GFYICVVMECJVNL-UHFFFAOYSA-N 0 1 405.389 3.779 50 0 HHAAMN CC(C)[C@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)N1CCc2ccccc2C1 ZINC000048324206 568438078 /nfs/dbraw/zinc/43/80/78/568438078.db2.gz QNHIZGKEURPNSM-RUZDIDTESA-N 0 1 416.569 3.973 50 0 HHAAMN C[C@@H](NCC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000049581019 568452818 /nfs/dbraw/zinc/45/28/18/568452818.db2.gz ROFHFLQINBZIGT-GOSISDBHSA-N 0 1 406.482 3.930 50 0 HHAAMN CC(C)[C@H](NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012328495 568472061 /nfs/dbraw/zinc/47/20/61/568472061.db2.gz GATPCLBCTFRLKD-CVDCTZTESA-N 0 1 411.521 3.990 50 0 HHAAMN CCn1ccnc1CN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020996214 568656864 /nfs/dbraw/zinc/65/68/64/568656864.db2.gz HQIWJRDYRQRZNN-FQEVSTJZSA-N 0 1 421.511 3.708 50 0 HHAAMN CN(C(=O)CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nccs1 ZINC000096012777 568685231 /nfs/dbraw/zinc/68/52/31/568685231.db2.gz MORQTFKGTOLBHH-SFHVURJKSA-N 0 1 408.518 3.589 50 0 HHAAMN CC(C)Cn1c(C[C@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)nc2cccnc21 ZINC000096124994 568700947 /nfs/dbraw/zinc/70/09/47/568700947.db2.gz OZPVCGANOUXMEO-MRXNPFEDSA-N 0 1 402.502 3.668 50 0 HHAAMN CSc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324690 568734233 /nfs/dbraw/zinc/73/42/33/568734233.db2.gz OUMYBVUJFJDDDC-UHFFFAOYSA-N 0 1 421.526 3.685 50 0 HHAAMN CCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)c1 ZINC000096324778 568734661 /nfs/dbraw/zinc/73/46/61/568734661.db2.gz CWSQOOHDRPYLHU-GOSISDBHSA-N 0 1 403.486 3.525 50 0 HHAAMN COc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000021931878 568761794 /nfs/dbraw/zinc/76/17/94/568761794.db2.gz LIDYEUKDUMPUNJ-UHFFFAOYSA-N 0 1 411.483 3.760 50 0 HHAAMN O=c1c2ccccc2cnn1CN1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000097029970 568766837 /nfs/dbraw/zinc/76/68/37/568766837.db2.gz UDIJGTVGYWJJKV-UHFFFAOYSA-N 0 1 416.550 3.900 50 0 HHAAMN CC[NH+]1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022577385 568770205 /nfs/dbraw/zinc/77/02/05/568770205.db2.gz OYXUZXKAXDOPTP-SFHVURJKSA-N 0 1 423.542 3.792 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022579698 568770652 /nfs/dbraw/zinc/77/06/52/568770652.db2.gz NXVLBDLFHTXPLP-XMMPIXPASA-N 0 1 403.526 3.567 50 0 HHAAMN CCn1ncc(-c2ccnc3cc(C(=O)Nc4c(F)c(F)cc(F)c4F)nn32)c1C ZINC000002798063 568810476 /nfs/dbraw/zinc/81/04/76/568810476.db2.gz RLOUXBOYOVCOPR-UHFFFAOYSA-N 0 1 418.354 3.730 50 0 HHAAMN COC(=O)c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc(C(=O)OC)c1 ZINC000057412566 568833179 /nfs/dbraw/zinc/83/31/79/568833179.db2.gz WNMYYNXAYRASTR-UHFFFAOYSA-N 0 1 413.817 3.556 50 0 HHAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=N)Nc3nc4ccccc4n32)o1 ZINC000012539439 568846887 /nfs/dbraw/zinc/84/68/87/568846887.db2.gz RQEHGBQOLRSJPS-OAQYLSRUSA-N 0 1 409.453 3.887 50 0 HHAAMN C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000012557174 568856219 /nfs/dbraw/zinc/85/62/19/568856219.db2.gz LCJPAFOVKNWAJJ-JOCHJYFZSA-N 0 1 423.538 3.520 50 0 HHAAMN c1cc(CNCc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)cc2c1OCO2 ZINC000299796901 568876316 /nfs/dbraw/zinc/87/63/16/568876316.db2.gz OPLKIHZLRQEHNK-UHFFFAOYSA-N 0 1 417.509 3.579 50 0 HHAAMN CC(C)(C)c1ccc(CNCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000084284408 568945505 /nfs/dbraw/zinc/94/55/05/568945505.db2.gz OSIXBCWYQBNTMQ-UHFFFAOYSA-N 0 1 408.951 3.769 50 0 HHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000015679285 568966291 /nfs/dbraw/zinc/96/62/91/568966291.db2.gz OBHKKIIPQBHSRE-UHFFFAOYSA-N 0 1 410.905 3.567 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-n3cccn3)cc2)N2CCCCC2)cc1 ZINC000007989701 568966533 /nfs/dbraw/zinc/96/65/33/568966533.db2.gz RXDMWLYIOZTWEQ-HSZRJFAPSA-N 0 1 404.514 3.838 50 0 HHAAMN COc1ccc([C@@H](CNC(=O)c2cncn2-c2ccccc2)N2CCCCC2)cc1 ZINC000008012626 568968410 /nfs/dbraw/zinc/96/84/10/568968410.db2.gz LBZOPYGPXKTYRM-JOCHJYFZSA-N 0 1 404.514 3.838 50 0 HHAAMN C[C@@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008185783 568980349 /nfs/dbraw/zinc/98/03/49/568980349.db2.gz VMSDJIMEUYVKAN-JKSUJKDBSA-N 0 1 421.588 3.601 50 0 HHAAMN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000008230688 568983955 /nfs/dbraw/zinc/98/39/55/568983955.db2.gz VCVGDGPQLZCLAB-HXUWFJFHSA-N 0 1 408.933 3.898 50 0 HHAAMN CCCNC(=O)[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccccc1OC ZINC000008345233 568994456 /nfs/dbraw/zinc/99/44/56/568994456.db2.gz CBRFLRIXUHMFMN-SFHVURJKSA-N 0 1 406.530 3.611 50 0 HHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000038518277 568997877 /nfs/dbraw/zinc/99/78/77/568997877.db2.gz PXNBOQYSQUSMOQ-UHFFFAOYSA-N 0 1 407.405 3.879 50 0 HHAAMN CC1(C)CN=C(N2CCN(C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)S1 ZINC000001506779 569006844 /nfs/dbraw/zinc/00/68/44/569006844.db2.gz KYYVTZWOPPHURW-GOSISDBHSA-N 0 1 422.598 3.654 50 0 HHAAMN COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)cc1C ZINC000104353488 569008267 /nfs/dbraw/zinc/00/82/67/569008267.db2.gz YYJVJNXVGSRYGI-HSZRJFAPSA-N 0 1 405.542 3.621 50 0 HHAAMN COc1ccc(CN2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)c(C)c1C ZINC000104408936 569008617 /nfs/dbraw/zinc/00/86/17/569008617.db2.gz MHJUUMKETMQWDX-OAQYLSRUSA-N 0 1 404.501 3.659 50 0 HHAAMN COc1ccc(CN2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2CCO)c(C)c1C ZINC000107100324 569009253 /nfs/dbraw/zinc/00/92/53/569009253.db2.gz JWIVIFIBHNJUJD-XMMPIXPASA-N 0 1 419.569 3.929 50 0 HHAAMN COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2Br)o1 ZINC000004541965 569012507 /nfs/dbraw/zinc/01/25/07/569012507.db2.gz LVIOGMKKKFHDJL-OAHLLOKOSA-N 0 1 407.289 3.675 50 0 HHAAMN CN(C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc(F)c1 ZINC000012907580 569021280 /nfs/dbraw/zinc/02/12/80/569021280.db2.gz BBBTXTVMLNCRKZ-OAQYLSRUSA-N 0 1 410.468 3.672 50 0 HHAAMN C[C@H](NC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1)c1ccccc1 ZINC000035360305 569033643 /nfs/dbraw/zinc/03/36/43/569033643.db2.gz GAIXORVAXMXKSY-YXIOWOIOSA-N 0 1 419.569 3.501 50 0 HHAAMN c1ccc(CN2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)CC2)cc1 ZINC000035508916 569041060 /nfs/dbraw/zinc/04/10/60/569041060.db2.gz HAHBDFIIPZWUHX-UHFFFAOYSA-N 0 1 424.552 3.992 50 0 HHAAMN COc1ccccc1[C@H](CNC(=O)COc1cc(C)ccc1Cl)N1CCCC1 ZINC000013010614 569050088 /nfs/dbraw/zinc/05/00/88/569050088.db2.gz ZILSQBUCZIHTJN-IBGZPJMESA-N 0 1 402.922 3.989 50 0 HHAAMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000089323076 569058498 /nfs/dbraw/zinc/05/84/98/569058498.db2.gz SLEJGKLOIGEXNW-UHFFFAOYSA-N 0 1 421.263 3.917 50 0 HHAAMN CN1CCN(CCOc2ccccc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000089382714 569058864 /nfs/dbraw/zinc/05/88/64/569058864.db2.gz FKZVLAGBFYTXMC-UHFFFAOYSA-N 0 1 403.526 3.647 50 0 HHAAMN CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035871203 569064031 /nfs/dbraw/zinc/06/40/31/569064031.db2.gz PCQKJBXXDHGCIA-TZIWHRDSSA-N 0 1 417.475 3.705 50 0 HHAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)cc1OC ZINC000036096012 569090007 /nfs/dbraw/zinc/09/00/07/569090007.db2.gz IVYFEPITMXGQEA-NRFANRHFSA-N 0 1 405.510 3.879 50 0 HHAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)c1 ZINC000036098453 569090910 /nfs/dbraw/zinc/09/09/10/569090910.db2.gz OYEFUSAFAUPDJL-OAQYLSRUSA-N 0 1 421.493 3.866 50 0 HHAAMN CC(C)COC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145861 569098419 /nfs/dbraw/zinc/09/84/19/569098419.db2.gz NTXHCBQLLQWMFO-GOTSBHOMSA-N 0 1 414.521 3.854 50 0 HHAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000006744628 569107448 /nfs/dbraw/zinc/10/74/48/569107448.db2.gz ZDUZKEHJJDLLOL-HSZRJFAPSA-N 0 1 412.449 3.931 50 0 HHAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000006744637 569107484 /nfs/dbraw/zinc/10/74/84/569107484.db2.gz ZDUZKEHJJDLLOL-QHCPKHFHSA-N 0 1 412.449 3.931 50 0 HHAAMN COc1cc(NS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc(OC)c1OC ZINC000064845074 569107983 /nfs/dbraw/zinc/10/79/83/569107983.db2.gz YPRCWEPPJKXUSP-UHFFFAOYSA-N 0 1 424.500 3.847 50 0 HHAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)c1 ZINC000006753268 569110764 /nfs/dbraw/zinc/11/07/64/569110764.db2.gz HFKPLOYZKLCXIK-QHCPKHFHSA-N 0 1 412.449 3.937 50 0 HHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952145 569132685 /nfs/dbraw/zinc/13/26/85/569132685.db2.gz WJPBIUPNRPKMHQ-UHFFFAOYSA-N 0 1 406.529 3.653 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344505 569142719 /nfs/dbraw/zinc/14/27/19/569142719.db2.gz DVYAOOUTMBEIQF-XMMPIXPASA-N 0 1 422.548 3.758 50 0 HHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036343484 569142873 /nfs/dbraw/zinc/14/28/73/569142873.db2.gz PNPZKLFMLFLRTR-XMMPIXPASA-N 0 1 404.558 3.619 50 0 HHAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000006887721 569171317 /nfs/dbraw/zinc/17/13/17/569171317.db2.gz PFNWQVPZOJZUES-UHFFFAOYSA-N 0 1 400.456 3.970 50 0 HHAAMN Cc1c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2cccc(C)c2C)c(C)n1C ZINC000065194588 569192809 /nfs/dbraw/zinc/19/28/09/569192809.db2.gz ZNYGWUVVIPOXTO-UHFFFAOYSA-N 0 1 400.504 3.987 50 0 HHAAMN O=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3cccc(Cl)c3F)cc2C1 ZINC000065196249 569194617 /nfs/dbraw/zinc/19/46/17/569194617.db2.gz VWTPKYUNCHWLID-UHFFFAOYSA-N 0 1 414.911 3.636 50 0 HHAAMN Cc1cc(C)nc(Sc2ccc(NC(=O)c3nnc4ccccc4c3O)cc2)n1 ZINC000170624380 569249476 /nfs/dbraw/zinc/24/94/76/569249476.db2.gz WLRALCSHKMMQEB-UHFFFAOYSA-N 0 1 403.467 3.733 50 0 HHAAMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000089644428 569261621 /nfs/dbraw/zinc/26/16/21/569261621.db2.gz HSAYRDNXTYGIOL-INIZCTEOSA-N 0 1 402.560 3.985 50 0 HHAAMN COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CN2CCCCCC2)cc1=O ZINC000016974488 569269610 /nfs/dbraw/zinc/26/96/10/569269610.db2.gz BLTOVXZXZXPTJX-UHFFFAOYSA-N 0 1 403.910 3.525 50 0 HHAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000002311270 569373898 /nfs/dbraw/zinc/37/38/98/569373898.db2.gz GWSSOODOEXHBJQ-VXGBXAGGSA-N 0 1 422.323 3.776 50 0 HHAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000027735724 569391974 /nfs/dbraw/zinc/39/19/74/569391974.db2.gz VSFNLMCVWHSPCP-JOCHJYFZSA-N 0 1 409.530 3.953 50 0 HHAAMN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000002454257 569409582 /nfs/dbraw/zinc/40/95/82/569409582.db2.gz GFFODZUIKWXLQE-GJZGRUSLSA-N 0 1 401.507 3.660 50 0 HHAAMN O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccccc2)CC1 ZINC000019797631 569430390 /nfs/dbraw/zinc/43/03/90/569430390.db2.gz PQCSELLABGCGED-AVZNFENQSA-N 0 1 412.618 3.788 50 0 HHAAMN CSc1cccc(NC(=O)COc2coc(CN3CCCCCC3)cc2=O)c1 ZINC000079495499 569432769 /nfs/dbraw/zinc/43/27/69/569432769.db2.gz TZZLMBXFLKOFNX-UHFFFAOYSA-N 0 1 402.516 3.755 50 0 HHAAMN COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008816194 571121248 /nfs/dbraw/zinc/12/12/48/571121248.db2.gz MWFMXIJNNMCHJT-IBGZPJMESA-N 0 1 422.510 3.753 50 0 HHAAMN CCOc1ccccc1CNC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 ZINC000008831385 571123102 /nfs/dbraw/zinc/12/31/02/571123102.db2.gz HKFGRDVSKPSURS-UHFFFAOYSA-N 0 1 402.907 3.932 50 0 HHAAMN CCCCN1c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2CCC1=O ZINC000008840714 571123695 /nfs/dbraw/zinc/12/36/95/571123695.db2.gz XVUJATCSNZJNEG-UHFFFAOYSA-N 0 1 418.515 3.584 50 0 HHAAMN COc1ccc(Cl)cc1CC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000040012794 571138362 /nfs/dbraw/zinc/13/83/62/571138362.db2.gz OQNYAJJBTMZQQN-IBGZPJMESA-N 0 1 402.922 3.853 50 0 HHAAMN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008901109 571144567 /nfs/dbraw/zinc/14/45/67/571144567.db2.gz DXZIQQRUMQUIFO-HXUWFJFHSA-N 0 1 421.588 3.602 50 0 HHAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000009151981 571230694 /nfs/dbraw/zinc/23/06/94/571230694.db2.gz MVGZHYWTBIXKIS-UHFFFAOYSA-N 0 1 417.874 3.797 50 0 HHAAMN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccccc2Oc2ccccc2)C1=O ZINC000009579113 571270171 /nfs/dbraw/zinc/27/01/71/571270171.db2.gz IZUHMYCVGIUTJI-QHCPKHFHSA-N 0 1 401.422 3.591 50 0 HHAAMN COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CN2CCCCCC2)cc1=O ZINC000009622045 571274315 /nfs/dbraw/zinc/27/43/15/571274315.db2.gz CLPYODRIDVJPTF-UHFFFAOYSA-N 0 1 411.546 3.797 50 0 HHAAMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(CCCNC(C)=O)cc3)n2)cc1 ZINC000009711898 571281223 /nfs/dbraw/zinc/28/12/23/571281223.db2.gz MQNDWXAAKPHLQK-UHFFFAOYSA-N 0 1 424.526 3.524 50 0 HHAAMN CCCN1C(=O)N=NC1SCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000010438829 571302783 /nfs/dbraw/zinc/30/27/83/571302783.db2.gz IKPZYCMUCSLBEC-MRXNPFEDSA-N 0 1 420.585 3.783 50 0 HHAAMN