smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC3CCCC3)c3cccs3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000000886326 551558959 /nfs/dbraw/zinc/55/89/59/551558959.db2.gz VFBZTBHVRPBYKS-GDLZYMKVSA-N 0 3 587.750 4.596 40 0 KJABHN Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000000896764 551564207 /nfs/dbraw/zinc/56/42/07/551564207.db2.gz QAGYKUNXZHXKMR-MTIHEKKKSA-N 0 3 567.796 4.748 40 0 KJABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000001874267 551721177 /nfs/dbraw/zinc/72/11/77/551721177.db2.gz RLZDRXPLIPXJAK-PKTNWEFCSA-N 0 3 556.596 4.514 40 0 KJABHN Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000001995485 551736210 /nfs/dbraw/zinc/73/62/10/551736210.db2.gz QAGYKUNXZHXKMR-XLOGNDFISA-N 0 3 567.796 4.748 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000002198761 551792238 /nfs/dbraw/zinc/79/22/38/551792238.db2.gz PZOAVUVOTVTTCY-KCHLEUMXSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C1=O ZINC000002333877 552096545 /nfs/dbraw/zinc/09/65/45/552096545.db2.gz XPIBMGMTTNTAFQ-IARZGTGTSA-N 0 3 540.597 4.814 40 0 KJABHN O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000002396072 552110193 /nfs/dbraw/zinc/11/01/93/552110193.db2.gz LCXZCSHRMYPTQK-ACRUOGEOSA-N 0 3 521.957 4.743 40 0 KJABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000002405464 552112259 /nfs/dbraw/zinc/11/22/59/552112259.db2.gz YOQWWPKGYIQFCM-IARZGTGTSA-N 0 3 520.541 4.966 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)c1 ZINC000002411510 552113754 /nfs/dbraw/zinc/11/37/54/552113754.db2.gz AYBMZNQKYRKQDE-IARZGTGTSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000002414751 552114530 /nfs/dbraw/zinc/11/45/30/552114530.db2.gz IRHSOAZMWCCHOB-KCHLEUMXSA-N 0 3 540.597 4.814 40 0 KJABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000002417538 552115134 /nfs/dbraw/zinc/11/51/34/552115134.db2.gz JAFRYOZMXQRUJI-IARZGTGTSA-N 0 3 520.541 4.966 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000002437268 552118972 /nfs/dbraw/zinc/11/89/72/552118972.db2.gz WVIQMLLJZZBOCT-KCHLEUMXSA-N 0 3 540.597 4.814 40 0 KJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000002450515 552123053 /nfs/dbraw/zinc/12/30/53/552123053.db2.gz LIBDXMDOAPMSDR-VXNXHJTFSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3OC)[C@@H]2C1=O ZINC000002451827 552123729 /nfs/dbraw/zinc/12/37/29/552123729.db2.gz JTIRNWDGRKBKGI-HJOGWXRNSA-N 0 3 523.383 4.908 40 0 KJABHN Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000003874489 552421424 /nfs/dbraw/zinc/42/14/24/552421424.db2.gz QAGYKUNXZHXKMR-UCQRENLISA-N 0 3 567.796 4.748 40 0 aggregator,in-vitro KJABHN Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000003874490 552421376 /nfs/dbraw/zinc/42/13/76/552421376.db2.gz QAGYKUNXZHXKMR-URROMKBVSA-N 0 3 567.796 4.748 40 0 KJABHN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000008444782 553051675 /nfs/dbraw/zinc/05/16/75/553051675.db2.gz UTDNFSHITUPIRW-BZUAXINKSA-N 0 3 532.792 4.880 40 0 KJABHN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000008444786 553051718 /nfs/dbraw/zinc/05/17/18/553051718.db2.gz UTDNFSHITUPIRW-OAGGEKHMSA-N 0 3 532.792 4.880 40 0 KJABHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000008741550 553132729 /nfs/dbraw/zinc/13/27/29/553132729.db2.gz GOSDQROTNDDOBF-SMIHKQSGSA-N 0 3 502.592 4.773 40 0 KJABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(OC)cc4)[C@H]3C2=O)cc1 ZINC000008741637 553133014 /nfs/dbraw/zinc/13/30/14/553133014.db2.gz RWJVPNNPOYZWRN-SMIHKQSGSA-N 0 3 506.942 4.576 40 0 KJABHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC000009063173 553205228 /nfs/dbraw/zinc/20/52/28/553205228.db2.gz NWNUHYOJYRSWRC-UHFFFAOYSA-N 0 3 515.654 4.835 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000009158578 553215126 /nfs/dbraw/zinc/21/51/26/553215126.db2.gz MSCMGAYIEHZOGR-GVAUOCQISA-N 0 3 508.958 4.894 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C1=O ZINC000009191358 553218609 /nfs/dbraw/zinc/21/86/09/553218609.db2.gz YFLRBLNXCVATHI-BDTNDASRSA-N 0 3 517.994 4.912 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C1=O ZINC000009191362 553218619 /nfs/dbraw/zinc/21/86/19/553218619.db2.gz YFLRBLNXCVATHI-FKBYEOEOSA-N 0 3 517.994 4.912 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000009232700 553223892 /nfs/dbraw/zinc/22/38/92/553223892.db2.gz DQBHENFMJQEKBL-OASJLCFRSA-N 0 3 518.566 4.552 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000009235058 553225168 /nfs/dbraw/zinc/22/51/68/553225168.db2.gz YQHMCXNPSUVVDG-SLQPCKNISA-N 0 3 518.566 4.552 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000009281041 553233038 /nfs/dbraw/zinc/23/30/38/553233038.db2.gz USMLGOCMAVDZAG-VJGNERBWSA-N 0 3 518.566 4.552 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000009332668 553242908 /nfs/dbraw/zinc/24/29/08/553242908.db2.gz SLFHHAKBDIOKSZ-FKBYEOEOSA-N 0 3 517.994 4.912 40 0 KJABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000009346428 553244417 /nfs/dbraw/zinc/24/44/17/553244417.db2.gz LQOZLPOWRIIDBC-ZRBLBEILSA-N 0 3 509.356 4.517 40 0 KJABHN CC(C)(C)c1ccccc1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000009434027 553263647 /nfs/dbraw/zinc/26/36/47/553263647.db2.gz DOVUTYXAERXZIQ-HSZRJFAPSA-N 0 3 500.639 4.885 40 0 KJABHN CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000009434028 553263676 /nfs/dbraw/zinc/26/36/76/553263676.db2.gz DOVUTYXAERXZIQ-QHCPKHFHSA-N 0 3 500.639 4.885 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)c1 ZINC000009457195 553266549 /nfs/dbraw/zinc/26/65/49/553266549.db2.gz OOMMYEXRWKFMJF-FSSWDIPSSA-N 0 3 517.994 4.912 40 0 KJABHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(CN3CCCCC3)cc2)cc1OC ZINC000010338741 553335090 /nfs/dbraw/zinc/33/50/90/553335090.db2.gz HKCRJUBDWLPUSV-UHFFFAOYSA-N 0 3 501.627 4.915 40 0 KJABHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000012017260 553349903 /nfs/dbraw/zinc/34/99/03/553349903.db2.gz GOSDQROTNDDOBF-HJOGWXRNSA-N 0 3 502.592 4.773 40 0 KJABHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000012170587 553353269 /nfs/dbraw/zinc/35/32/69/553353269.db2.gz OKBFLFSFIVPINF-DEOSSOPVSA-N 0 3 500.639 4.885 40 0 KJABHN CC(C)(C)c1ccc(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000012170588 553353236 /nfs/dbraw/zinc/35/32/36/553353236.db2.gz OKBFLFSFIVPINF-XMMPIXPASA-N 0 3 500.639 4.885 40 0 KJABHN CC1(C)C[C@H](NCc2ccc(CO)o2)[C@@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CC[C@](C)(O)C[C@@H]12 ZINC000012531493 553386424 /nfs/dbraw/zinc/38/64/24/553386424.db2.gz UURFIUUBKGZSBW-FXZOGHEHSA-N 0 3 521.702 4.818 40 0 biogenic,in-vitro KJABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000012601886 553402033 /nfs/dbraw/zinc/40/20/33/553402033.db2.gz ZEYSUZPLVTUJIL-KZQOYIJHSA-N 0 3 507.638 4.648 40 0 biogenic,in-vitro KJABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000012601887 571360578 /nfs/dbraw/zinc/36/05/78/571360578.db2.gz ZEYSUZPLVTUJIL-ITHJLQSDSA-N 0 3 507.638 4.648 40 0 biogenic,in-vitro KJABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1C(=O)OC ZINC000012635671 553406698 /nfs/dbraw/zinc/40/66/98/553406698.db2.gz FFFSKURGDNFBJS-JOCHJYFZSA-N 0 3 506.672 4.615 40 0 KJABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1C(=O)OC ZINC000012635676 553406767 /nfs/dbraw/zinc/40/67/67/553406767.db2.gz FFFSKURGDNFBJS-QFIPXVFZSA-N 0 3 506.672 4.615 40 0 KJABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(OC)cc1OC ZINC000012635716 553406729 /nfs/dbraw/zinc/40/67/29/553406729.db2.gz ZDHAFYJROQOBGD-JOCHJYFZSA-N 0 3 508.688 4.845 40 0 KJABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(OC)cc1OC ZINC000012635720 553406712 /nfs/dbraw/zinc/40/67/12/553406712.db2.gz ZDHAFYJROQOBGD-QFIPXVFZSA-N 0 3 508.688 4.845 40 0 KJABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000012635725 553406721 /nfs/dbraw/zinc/40/67/21/553406721.db2.gz RNBSTOGWNJATEB-RUZDIDTESA-N 0 3 536.742 4.566 40 0 KJABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000012635731 553406786 /nfs/dbraw/zinc/40/67/86/553406786.db2.gz RNBSTOGWNJATEB-VWLOTQADSA-N 0 3 536.742 4.566 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000013511390 553467491 /nfs/dbraw/zinc/46/74/91/553467491.db2.gz SLFHHAKBDIOKSZ-BDTNDASRSA-N 0 3 517.994 4.912 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)c1 ZINC000013512382 553467770 /nfs/dbraw/zinc/46/77/70/553467770.db2.gz OOMMYEXRWKFMJF-VSKRKVRLSA-N 0 3 517.994 4.912 40 0 KJABHN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000013514006 553468066 /nfs/dbraw/zinc/46/80/66/553468066.db2.gz YSHCDVHRSBXTKW-VABKMULXSA-N 0 3 509.356 4.517 40 0 KJABHN c1nn(-c2ccccc2)c2nc(N3CCOCC3)nc(N3CCN(C4c5ccccc5-c5ccccc54)CC3)c12 ZINC000013549892 553470099 /nfs/dbraw/zinc/47/00/99/553470099.db2.gz SKWVGLXGJNLTRO-UHFFFAOYSA-N 0 3 529.648 4.544 40 0 KJABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000013759099 553488550 /nfs/dbraw/zinc/48/85/50/553488550.db2.gz YOQWWPKGYIQFCM-PKTNWEFCSA-N 0 3 520.541 4.966 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000013768493 553489190 /nfs/dbraw/zinc/48/91/90/553489190.db2.gz USMLGOCMAVDZAG-QKDODKLFSA-N 0 3 518.566 4.552 40 0 KJABHN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000013768949 553489234 /nfs/dbraw/zinc/48/92/34/553489234.db2.gz XITPCMNFQGWLBM-QKDODKLFSA-N 0 3 502.567 4.934 40 0 KJABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000013769437 553489202 /nfs/dbraw/zinc/48/92/02/553489202.db2.gz JAFRYOZMXQRUJI-PKTNWEFCSA-N 0 3 520.541 4.966 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000013776542 553490032 /nfs/dbraw/zinc/49/00/32/553490032.db2.gz MSCMGAYIEHZOGR-SDHOMARFSA-N 0 3 508.958 4.894 40 0 KJABHN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000013776648 553490075 /nfs/dbraw/zinc/49/00/75/553490075.db2.gz BZYYLYYTEBWSRW-PVHODMMVSA-N 0 3 502.567 4.934 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000013787433 553490833 /nfs/dbraw/zinc/49/08/33/553490833.db2.gz DQBHENFMJQEKBL-DXBVXKBHSA-N 0 3 518.566 4.552 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000013787837 553490806 /nfs/dbraw/zinc/49/08/06/553490806.db2.gz YQHMCXNPSUVVDG-OBDYRVMHSA-N 0 3 518.566 4.552 40 0 KJABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000013811493 553492669 /nfs/dbraw/zinc/49/26/69/553492669.db2.gz LQOZLPOWRIIDBC-VJBWXMMDSA-N 0 3 509.356 4.517 40 0 KJABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC000014277253 553510101 /nfs/dbraw/zinc/51/01/01/553510101.db2.gz VOYDXKYIQNQNOG-UHFFFAOYSA-N 0 3 513.461 4.978 40 0 KJABHN O=C1c2cc(Br)cc(Br)c2OCC1(CN1CCCCC1)CN1CCCCC1 ZINC000015229106 553529651 /nfs/dbraw/zinc/52/96/51/553529651.db2.gz VQHAFRSACPMVLB-UHFFFAOYSA-N 0 3 500.275 4.745 40 0 KJABHN Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@@H](C)C1)(CN1CCC[C@@H](C)C1)CO2 ZINC000016284097 553558426 /nfs/dbraw/zinc/55/84/26/553558426.db2.gz BNTHIZBZHTVGFG-QZTJIDSGSA-N 0 3 510.460 4.625 40 0 KJABHN Cn1nnnc1SCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016363661 553561537 /nfs/dbraw/zinc/56/15/37/553561537.db2.gz XWZOFZJLBIKUFN-UHFFFAOYSA-N 0 3 503.253 4.740 40 0 KJABHN NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401399 553562865 /nfs/dbraw/zinc/56/28/65/553562865.db2.gz QKOLFPANHCTNKI-UHFFFAOYSA-N 0 3 509.853 4.661 40 0 KJABHN NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000016449999 553565098 /nfs/dbraw/zinc/56/50/98/553565098.db2.gz WTVUOMSQSOTSCU-UHFFFAOYSA-N 0 3 509.853 4.661 40 0 KJABHN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000017838051 553600174 /nfs/dbraw/zinc/60/01/74/553600174.db2.gz OXSDCKPRHHQRMH-PVHODMMVSA-N 0 3 502.567 4.934 40 0 KJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000017917673 553600742 /nfs/dbraw/zinc/60/07/42/553600742.db2.gz DPSCPAUNQJIQFK-VABKMULXSA-N 0 3 509.356 4.517 40 0 KJABHN COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc(OC)c1OC ZINC000018066890 553603062 /nfs/dbraw/zinc/60/30/62/553603062.db2.gz ORNQRVQPUKWWID-NSVAZKTRSA-N 0 3 510.546 4.917 40 0 KJABHN COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018085722 553603731 /nfs/dbraw/zinc/60/37/31/553603731.db2.gz BVYWYZXWCUQGJJ-PKTNWEFCSA-N 0 3 510.546 4.917 40 0 KJABHN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018143360 553606289 /nfs/dbraw/zinc/60/62/89/553606289.db2.gz GLCNHWBHNNLGNE-KCHLEUMXSA-N 0 3 520.541 4.966 40 0 KJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1Br ZINC000018153833 553606271 /nfs/dbraw/zinc/60/62/71/553606271.db2.gz DZNKLUCVFPQYRL-VABKMULXSA-N 0 3 509.356 4.517 40 0 KJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c(OC)c1OC ZINC000018167101 553606852 /nfs/dbraw/zinc/60/68/52/553606852.db2.gz BKVGQQYQSQAJSB-QQNWGBJXSA-N 0 3 510.546 4.917 40 0 KJABHN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018182704 553608023 /nfs/dbraw/zinc/60/80/23/553608023.db2.gz LRBKOSZXIYIYBS-PVHODMMVSA-N 0 3 502.567 4.934 40 0 KJABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(OC)cc4)[C@@H]3C2=O)cc1 ZINC000018192951 553608390 /nfs/dbraw/zinc/60/83/90/553608390.db2.gz RWJVPNNPOYZWRN-HJOGWXRNSA-N 0 3 506.942 4.576 40 0 KJABHN FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCN3CCOCC3)CC1)c1ccccc1S2 ZINC000019366289 553614201 /nfs/dbraw/zinc/61/42/01/553614201.db2.gz KXYSYSJXECFHRI-UHFFFAOYSA-N 0 3 506.638 4.648 40 0 KJABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369917 553614240 /nfs/dbraw/zinc/61/42/40/553614240.db2.gz XESODQRWBFMKEB-BABIULLVSA-N 0 3 500.683 4.679 40 0 KJABHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000019819406 553619767 /nfs/dbraw/zinc/61/97/67/553619767.db2.gz HHUUEOIUBJTIHA-AREMUKBSSA-N 0 3 521.577 4.854 40 0 KJABHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000019819408 553619666 /nfs/dbraw/zinc/61/96/66/553619666.db2.gz HHUUEOIUBJTIHA-SANMLTNESA-N 0 3 521.577 4.854 40 0 KJABHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000019819410 553619658 /nfs/dbraw/zinc/61/96/58/553619658.db2.gz AZTDYCSWGVGLGN-AREMUKBSSA-N 0 3 506.566 4.635 40 0 KJABHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000019819412 553619753 /nfs/dbraw/zinc/61/97/53/553619753.db2.gz AZTDYCSWGVGLGN-SANMLTNESA-N 0 3 506.566 4.635 40 0 KJABHN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941381 553643984 /nfs/dbraw/zinc/64/39/84/553643984.db2.gz GLLZEOVQJJGXGM-HHHXNRCGSA-N 0 3 503.695 4.622 40 0 KJABHN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941382 553643884 /nfs/dbraw/zinc/64/38/84/553643884.db2.gz GLLZEOVQJJGXGM-MHZLTWQESA-N 0 3 503.695 4.622 40 0 KJABHN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941606 553645222 /nfs/dbraw/zinc/64/52/22/553645222.db2.gz DORWGJRCAFGSKD-HHHXNRCGSA-N 0 3 503.695 4.676 40 0 KJABHN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941607 553645216 /nfs/dbraw/zinc/64/52/16/553645216.db2.gz DORWGJRCAFGSKD-MHZLTWQESA-N 0 3 503.695 4.676 40 0 KJABHN O=C(CC1C(=O)N(Cc2ccc3c(c2)OCO3)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019962016 553649055 /nfs/dbraw/zinc/64/90/55/553649055.db2.gz PGMOIOKDUIIUIX-HXUWFJFHSA-N 0 3 508.456 4.901 40 0 KJABHN O=C(CC1C(=O)N(Cc2ccc3c(c2)OCO3)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019962019 553649100 /nfs/dbraw/zinc/64/91/00/553649100.db2.gz PGMOIOKDUIIUIX-FQEVSTJZSA-N 0 3 508.456 4.901 40 0 KJABHN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc12 ZINC000020079474 553676617 /nfs/dbraw/zinc/67/66/17/553676617.db2.gz AIEYMIYYUBVRGL-HHHXNRCGSA-N 0 3 503.695 4.676 40 0 KJABHN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc12 ZINC000020079476 553676640 /nfs/dbraw/zinc/67/66/40/553676640.db2.gz AIEYMIYYUBVRGL-MHZLTWQESA-N 0 3 503.695 4.676 40 0 KJABHN Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1C ZINC000020079806 553677250 /nfs/dbraw/zinc/67/72/50/553677250.db2.gz TWHLVPIYQYBUIZ-HHHXNRCGSA-N 0 3 503.695 4.676 40 0 KJABHN Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1C ZINC000020079809 553677259 /nfs/dbraw/zinc/67/72/59/553677259.db2.gz TWHLVPIYQYBUIZ-MHZLTWQESA-N 0 3 503.695 4.676 40 0 KJABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412410 553647164 /nfs/dbraw/zinc/64/71/64/553647164.db2.gz XESODQRWBFMKEB-VUEUVUINSA-N 0 3 500.683 4.679 40 0 KJABHN CN(CCc1ccccc1)[C@H]1[C@@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020464710 553656800 /nfs/dbraw/zinc/65/68/00/553656800.db2.gz PPGLGXXZGBCTPT-GIFPIDKJSA-N 0 3 529.508 4.659 40 0 biogenic,in-vitro KJABHN COc1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccc(OC)cc34)c3nc4ccccc4n32)cc1 ZINC000021005900 553705524 /nfs/dbraw/zinc/70/55/24/553705524.db2.gz BGSNLFOJIODRAM-AREMUKBSSA-N 0 3 509.566 4.694 40 0 KJABHN COc1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccc(OC)cc34)c3nc4ccccc4n32)cc1 ZINC000021005902 553705599 /nfs/dbraw/zinc/70/55/99/553705599.db2.gz BGSNLFOJIODRAM-SANMLTNESA-N 0 3 509.566 4.694 40 0 KJABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc(F)c(F)c4)n4c5ccccc5nc43)c2c1 ZINC000021005905 553705546 /nfs/dbraw/zinc/70/55/46/553705546.db2.gz HORHCBQHOUIIBI-RUZDIDTESA-N 0 3 515.520 4.964 40 0 KJABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc(F)c(F)c4)n4c5ccccc5nc43)c2c1 ZINC000021005907 553705581 /nfs/dbraw/zinc/70/55/81/553705581.db2.gz HORHCBQHOUIIBI-VWLOTQADSA-N 0 3 515.520 4.964 40 0 KJABHN O=C(NCCN[C@H](c1ccccc1)[C@H](NCCNC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000022590766 553747883 /nfs/dbraw/zinc/74/78/83/553747883.db2.gz MUHYHXUJJZSZOX-LOYHVIPDSA-N 0 3 506.650 4.508 40 0 KJABHN O=C(NCCN[C@@H](c1ccccc1)[C@@H](NCCNC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000022590771 553747904 /nfs/dbraw/zinc/74/79/04/553747904.db2.gz MUHYHXUJJZSZOX-KYJUHHDHSA-N 0 3 506.650 4.508 40 0 KJABHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(Br)c1 ZINC000022833708 553756263 /nfs/dbraw/zinc/75/62/63/553756263.db2.gz RJHOOQLQCROCLV-UHFFFAOYSA-N 0 3 509.473 4.898 40 0 KJABHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1Br ZINC000022833711 553756238 /nfs/dbraw/zinc/75/62/38/553756238.db2.gz YRGZDBSRFUBTFP-UHFFFAOYSA-N 0 3 509.473 4.898 40 0 KJABHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1 ZINC000022833716 553756321 /nfs/dbraw/zinc/75/63/21/553756321.db2.gz JQOZENFIBZRZLN-UHFFFAOYSA-N 0 3 509.473 4.898 40 0 KJABHN COc1cc(CNCCN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022942535 553768546 /nfs/dbraw/zinc/76/85/46/553768546.db2.gz CAKNTAKGRMZZII-UHFFFAOYSA-N 0 3 504.252 4.765 40 0 KJABHN O=C(NCCN[C@H](c1ccccc1)[C@@H](NCCNC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000023477061 553787289 /nfs/dbraw/zinc/78/72/89/553787289.db2.gz MUHYHXUJJZSZOX-RNPORBBMSA-N 0 3 506.650 4.508 40 0 KJABHN Cc1cc(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(C)c1Cl ZINC000026781225 553821210 /nfs/dbraw/zinc/82/12/10/553821210.db2.gz IWNIJTWSRYCTTN-QFIPXVFZSA-N 0 3 507.030 4.858 40 0 KJABHN Cc1cc(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(C)c1Cl ZINC000026781227 553821264 /nfs/dbraw/zinc/82/12/64/553821264.db2.gz IWNIJTWSRYCTTN-JOCHJYFZSA-N 0 3 507.030 4.858 40 0 KJABHN O[C@H](Cn1c2ccccc2c2cc(I)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000028464532 553842146 /nfs/dbraw/zinc/84/21/46/553842146.db2.gz OUQSYZBOQJBSQM-QFIPXVFZSA-N 0 3 525.434 4.578 40 0 KJABHN O[C@@H](Cn1c2ccccc2c2cc(I)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000028464537 553842473 /nfs/dbraw/zinc/84/24/73/553842473.db2.gz OUQSYZBOQJBSQM-JOCHJYFZSA-N 0 3 525.434 4.578 40 0 KJABHN Cc1ccc(N2CCN(C[C@@H](O)Cn3c4ccccc4c4cc(I)ccc43)CC2)cc1 ZINC000028464542 553842546 /nfs/dbraw/zinc/84/25/46/553842546.db2.gz CUPQIIFOAHTRSP-JOCHJYFZSA-N 0 3 525.434 4.891 40 0 KJABHN Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccccc4c4cc(I)ccc43)CC2)cc1 ZINC000028464547 553842457 /nfs/dbraw/zinc/84/24/57/553842457.db2.gz CUPQIIFOAHTRSP-QFIPXVFZSA-N 0 3 525.434 4.891 40 0 KJABHN COCCN1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(Cc4c[nH]c5ccccc45)o3)C[C@H]2C(C)C)CC1 ZINC000030883051 553860688 /nfs/dbraw/zinc/86/06/88/553860688.db2.gz HWKGZROXEWOMIG-RMDSEJHCSA-N 0 3 505.707 4.803 40 0 biogenic,in-vitro KJABHN COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CN4CCN(c5ncccn5)CC4)C=C3C)o2)cc1 ZINC000030883294 553860801 /nfs/dbraw/zinc/86/08/01/553860801.db2.gz IRLADLDBNAPGGE-GNKBHMEESA-N 0 3 502.663 4.755 40 0 biogenic,in-vitro KJABHN Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@H](C)C1)(CN1CCC[C@H](C)C1)CO2 ZINC000034913427 554029438 /nfs/dbraw/zinc/02/94/38/554029438.db2.gz BNTHIZBZHTVGFG-ROUUACIJSA-N 0 3 510.460 4.625 40 0 KJABHN COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CN4CCN(c5cnccn5)CC4)C=C3C)o2)cc1 ZINC000035442670 554055005 /nfs/dbraw/zinc/05/50/05/554055005.db2.gz OIANBRMCEAZYDJ-GNKBHMEESA-N 0 3 502.663 4.755 40 0 biogenic,in-vitro KJABHN COc1ccccc1N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cncn4C)o3)C[C@H]2C(C)C)CC1 ZINC000035442732 554054910 /nfs/dbraw/zinc/05/49/10/554054910.db2.gz DDZNXRGNJHQXQV-HJOGWXRNSA-N 0 3 504.679 4.698 40 0 biogenic,in-vitro KJABHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc(-n2cnnc2)ccc1Br ZINC000035684157 554063138 /nfs/dbraw/zinc/06/31/38/554063138.db2.gz HYRCOWFELKUYGM-UHFFFAOYSA-N 0 3 517.431 4.604 40 0 KJABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369555 554224245 /nfs/dbraw/zinc/22/42/45/554224245.db2.gz XESODQRWBFMKEB-LAUKHPPBSA-N 0 3 500.683 4.679 40 0 KJABHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OC ZINC000039755956 554280422 /nfs/dbraw/zinc/28/04/22/554280422.db2.gz BFOFPFQQZUFGHY-UHFFFAOYSA-N 0 3 515.654 4.835 40 0 KJABHN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000039761153 554280357 /nfs/dbraw/zinc/28/03/57/554280357.db2.gz UNORAYKFKWJBNV-UHFFFAOYSA-N 0 3 511.619 4.876 40 0 KJABHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000039767991 554280642 /nfs/dbraw/zinc/28/06/42/554280642.db2.gz WTJQZTWKAJWATO-UHFFFAOYSA-N 0 3 519.617 4.666 40 0 KJABHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000039768886 554281009 /nfs/dbraw/zinc/28/10/09/554281009.db2.gz UHMBDBNJZRXDJZ-UHFFFAOYSA-N 0 3 501.627 4.527 40 0 KJABHN CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4c(ccn4CC(F)(F)F)c(N4CCOCC4)n3)cc2)cc1 ZINC000049780622 554325892 /nfs/dbraw/zinc/32/58/92/554325892.db2.gz GMASZVAHNYVURN-UHFFFAOYSA-N 0 3 624.668 4.775 40 0 in-vitro KJABHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccc(OC)cc34)c3nc4ccccc4n32)cc1 ZINC000059781655 554430001 /nfs/dbraw/zinc/43/00/01/554430001.db2.gz PEGNRLNXLKNDGX-HHHXNRCGSA-N 0 3 551.603 4.862 40 0 KJABHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(CCc3c[nH]c4ccc(OC)cc34)c3nc4ccccc4n32)cc1 ZINC000059781659 554429993 /nfs/dbraw/zinc/42/99/93/554429993.db2.gz PEGNRLNXLKNDGX-MHZLTWQESA-N 0 3 551.603 4.862 40 0 KJABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc(NC(C)=O)cc4)n4c5ccccc5nc43)c2c1 ZINC000059781663 554429908 /nfs/dbraw/zinc/42/99/08/554429908.db2.gz KBEWFBJOHHNBAL-HHHXNRCGSA-N 0 3 536.592 4.644 40 0 KJABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc(NC(C)=O)cc4)n4c5ccccc5nc43)c2c1 ZINC000059781671 554429872 /nfs/dbraw/zinc/42/98/72/554429872.db2.gz KBEWFBJOHHNBAL-MHZLTWQESA-N 0 3 536.592 4.644 40 0 KJABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CN(Cc3ccccn3)Cc3ccccn3)n(C)n2)cc1OC ZINC000067870607 1067163344 /nfs/dbraw/zinc/16/33/44/1067163344.db2.gz SGZZLGWYEHUBAD-LBNPDIFZSA-N 0 3 538.696 4.775 40 0 biogenic,in-vitro KJABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000067870927 560050478 /nfs/dbraw/zinc/05/04/78/560050478.db2.gz BMSNXNJAGWGVTH-WRALFONMSA-N 0 3 582.589 4.622 40 0 biogenic,in-vitro KJABHN COc1ccccc1NC(=O)N1CC[C@@H](CC(=O)OC(C)(C)C)[C@@H](CCN2CCN(c3ccccn3)CC2)C1 ZINC000067870978 291875259 /nfs/dbraw/zinc/87/52/59/291875259.db2.gz UYZIXCFQJWZHHY-ZEQRLZLVSA-N 0 3 537.705 4.504 40 0 biogenic,in-vitro KJABHN CC1=C[C@@H](CN2CCN(c3ncccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 ZINC000067890463 291860219 /nfs/dbraw/zinc/86/02/19/291860219.db2.gz XJJMPPBULJXHLH-KLJDGLGGSA-N 0 3 515.706 4.812 40 0 biogenic,in-vitro KJABHN CC1=C[C@@H](CN2CCN(c3ncccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(COc2ccc(F)cc2)o1 ZINC000067890467 291860259 /nfs/dbraw/zinc/86/02/59/291860259.db2.gz RUMMTFBHTDXVSF-FXSPECFOSA-N 0 3 520.653 4.797 40 0 biogenic,in-vitro KJABHN CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000070665973 553597519 /nfs/dbraw/zinc/59/75/19/553597519.db2.gz XLOFIBURHKEVSM-AYQJTBPPSA-N 0 3 587.786 4.681 40 0 KJABHN CSCC[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000070665974 553597380 /nfs/dbraw/zinc/59/73/80/553597380.db2.gz XLOFIBURHKEVSM-OLUZHXLYSA-N 0 3 587.786 4.681 40 0 KJABHN CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000070665975 553597508 /nfs/dbraw/zinc/59/75/08/553597508.db2.gz XLOFIBURHKEVSM-MJSOWUPRSA-N 0 3 587.786 4.681 40 0 KJABHN CSCC[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000070665976 553597373 /nfs/dbraw/zinc/59/73/73/553597373.db2.gz XLOFIBURHKEVSM-JFHPUIQFSA-N 0 3 587.786 4.681 40 0 KJABHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)OC(C)(C)C ZINC000072130497 553642019 /nfs/dbraw/zinc/64/20/19/553642019.db2.gz IAYMVYNHFPZOOB-PZNJWVMQSA-N 0 3 533.779 4.828 40 0 in-vitro KJABHN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2 ZINC000072176004 553645705 /nfs/dbraw/zinc/64/57/05/553645705.db2.gz WGZYFFJOGZFXBF-UHFFFAOYSA-N 0 3 622.774 4.929 40 0 KJABHN CC[C@@H](C)n1cc(C)c2c1cc(-c1ccc(N3CCNCC3)nc1)cc2C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000072318145 553647382 /nfs/dbraw/zinc/64/73/82/553647382.db2.gz FKSFKBQGSFSOSM-JOCHJYFZSA-N 0 3 526.685 4.627 40 0 KJABHN COc1cc(CNc2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccc(C)o3)cc(=O)[n-]2)cc(OC)c1 ZINC000072341242 553650936 /nfs/dbraw/zinc/65/09/36/553650936.db2.gz PIFBDPQEPOMQIM-LOSJGSFVSA-N 0 3 500.599 4.684 40 0 KJABHN COc1cc(CNc2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccc(C)o3)cc(=O)[n-]2)cc(OC)c1 ZINC000072341242 553650935 /nfs/dbraw/zinc/65/09/35/553650935.db2.gz PIFBDPQEPOMQIM-LOSJGSFVSA-N 0 3 500.599 4.684 40 0 KJABHN COc1cc(CNc2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3c3ccc(C)o3)cc(=O)[n-]2)cc(OC)c1 ZINC000072341243 553650961 /nfs/dbraw/zinc/65/09/61/553650961.db2.gz PIFBDPQEPOMQIM-DQEYMECFSA-N 0 3 500.599 4.684 40 0 KJABHN COc1cc(CNc2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3c3ccc(C)o3)cc(=O)[n-]2)cc(OC)c1 ZINC000072341243 553650960 /nfs/dbraw/zinc/65/09/60/553650960.db2.gz PIFBDPQEPOMQIM-DQEYMECFSA-N 0 3 500.599 4.684 40 0 KJABHN [O-][n+]1ccc(N2CCN(CCCN3CCN(c4ccnc5cc(Cl)ccc54)CC3)CC2)c2ccc(Cl)cc21 ZINC000077312500 553663654 /nfs/dbraw/zinc/66/36/54/553663654.db2.gz SPGYMJCKLXKEMW-UHFFFAOYSA-N 0 3 551.522 4.663 40 0 in-vitro KJABHN COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@H]1C ZINC000090515146 562753667 /nfs/dbraw/zinc/75/36/67/562753667.db2.gz CNPVJJQCETWNEU-DVECYGJZSA-N 0 3 533.639 4.501 40 0 KJABHN CC(C)(C)OCOC(=O)C[C@@H]1CNC[C@H](CC(=O)OC(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000090636398 553695131 /nfs/dbraw/zinc/69/51/31/553695131.db2.gz RTKJSCVLWQWGLA-IZLXSDGUSA-N 0 3 530.665 4.548 40 0 KJABHN CC(C)(C)OCOC(=O)C[C@H]1CNC[C@H](CC(=O)OC(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000090636399 553695310 /nfs/dbraw/zinc/69/53/10/553695310.db2.gz RTKJSCVLWQWGLA-NSOVKSMOSA-N 0 3 530.665 4.548 40 0 KJABHN CC(C)(C)OCOC(=O)C[C@@H]1CNC[C@@H](CC(=O)OC(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000090636400 553695285 /nfs/dbraw/zinc/69/52/85/553695285.db2.gz RTKJSCVLWQWGLA-VSGBNLITSA-N 0 3 530.665 4.548 40 0 KJABHN CC(C)(C)OCOC(=O)C[C@H]1CNC[C@@H](CC(=O)OC(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000090636401 553695293 /nfs/dbraw/zinc/69/52/93/553695293.db2.gz RTKJSCVLWQWGLA-WUFINQPMSA-N 0 3 530.665 4.548 40 0 KJABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000095346110 553700773 /nfs/dbraw/zinc/70/07/73/553700773.db2.gz JAFRYOZMXQRUJI-KCHLEUMXSA-N 0 3 520.541 4.966 40 0 KJABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000095346111 553700647 /nfs/dbraw/zinc/70/06/47/553700647.db2.gz JAFRYOZMXQRUJI-FCEKVYKBSA-N 0 3 520.541 4.966 40 0 KJABHN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000095346135 553701080 /nfs/dbraw/zinc/70/10/80/553701080.db2.gz OXSDCKPRHHQRMH-QKDODKLFSA-N 0 3 502.567 4.934 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)c1 ZINC000095483634 553702124 /nfs/dbraw/zinc/70/21/24/553702124.db2.gz OOMMYEXRWKFMJF-BDTNDASRSA-N 0 3 517.994 4.912 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)c1 ZINC000095483635 553702106 /nfs/dbraw/zinc/70/21/06/553702106.db2.gz OOMMYEXRWKFMJF-FKBYEOEOSA-N 0 3 517.994 4.912 40 0 KJABHN COC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@H]1C ZINC000095598674 562777460 /nfs/dbraw/zinc/77/74/60/562777460.db2.gz CNPVJJQCETWNEU-NTKDMRAZSA-N 0 3 533.639 4.501 40 0 KJABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(OC)cc4)[C@H]3C2=O)cc1 ZINC000095909123 553714751 /nfs/dbraw/zinc/71/47/51/553714751.db2.gz RWJVPNNPOYZWRN-SGNDLWITSA-N 0 3 506.942 4.576 40 0 KJABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(OC)cc4)[C@@H]3C2=O)cc1 ZINC000095909124 553714783 /nfs/dbraw/zinc/71/47/83/553714783.db2.gz RWJVPNNPOYZWRN-VXNXHJTFSA-N 0 3 506.942 4.576 40 0 KJABHN COc1ccc2nc3n(c2c1)[C@@H](CN(Cc1ccc(NC(C)=O)cc1)Cc1ccc(NC(C)=O)cc1)COC3 ZINC000096112418 553724291 /nfs/dbraw/zinc/72/42/91/553724291.db2.gz IOSNPNVQDSTVCJ-SANMLTNESA-N 0 3 527.625 4.735 40 0 biogenic,in-vitro KJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c(OC)c1OC ZINC000096297848 553748526 /nfs/dbraw/zinc/74/85/26/553748526.db2.gz BKVGQQYQSQAJSB-VBOOUTDYSA-N 0 3 510.546 4.917 40 0 KJABHN O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000097954031 553820557 /nfs/dbraw/zinc/82/05/57/553820557.db2.gz LCXZCSHRMYPTQK-HBMCJLEFSA-N 0 3 521.957 4.743 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000097954140 553821587 /nfs/dbraw/zinc/82/15/87/553821587.db2.gz QGGHOGJQZWHCFH-KCHLEUMXSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000097954141 553821679 /nfs/dbraw/zinc/82/16/79/553821679.db2.gz QGGHOGJQZWHCFH-IARZGTGTSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)c1 ZINC000097954219 553822340 /nfs/dbraw/zinc/82/23/40/553822340.db2.gz AYBMZNQKYRKQDE-KCHLEUMXSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000097954255 553822659 /nfs/dbraw/zinc/82/26/59/553822659.db2.gz IRHSOAZMWCCHOB-IARZGTGTSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000097954553 553824064 /nfs/dbraw/zinc/82/40/64/553824064.db2.gz PZOAVUVOTVTTCY-IARZGTGTSA-N 0 3 540.597 4.814 40 0 KJABHN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000097954576 553824128 /nfs/dbraw/zinc/82/41/28/553824128.db2.gz CTCQFSBMMNVBBQ-FKBYEOEOSA-N 0 3 529.774 4.868 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C1=O ZINC000097954627 553824415 /nfs/dbraw/zinc/82/44/15/553824415.db2.gz XPIBMGMTTNTAFQ-KCHLEUMXSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000097954845 553826048 /nfs/dbraw/zinc/82/60/48/553826048.db2.gz WVIQMLLJZZBOCT-IARZGTGTSA-N 0 3 540.597 4.814 40 0 KJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000097954872 553826075 /nfs/dbraw/zinc/82/60/75/553826075.db2.gz LIBDXMDOAPMSDR-HJOGWXRNSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Br)ccc3OC)[C@@H]2C1=O ZINC000097954875 553826090 /nfs/dbraw/zinc/82/60/90/553826090.db2.gz JTIRNWDGRKBKGI-VXNXHJTFSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC)c(Br)c3)[C@@H]2C1=O ZINC000097954890 553826398 /nfs/dbraw/zinc/82/63/98/553826398.db2.gz DEFWJFLZTDZMDE-HJOGWXRNSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC)c(Br)c3)[C@@H]2C1=O ZINC000097954891 553826412 /nfs/dbraw/zinc/82/64/12/553826412.db2.gz DEFWJFLZTDZMDE-VXNXHJTFSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000097954996 553827153 /nfs/dbraw/zinc/82/71/53/553827153.db2.gz LZOAYYBRTWSPBI-HJOGWXRNSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000097954997 553827125 /nfs/dbraw/zinc/82/71/25/553827125.db2.gz LZOAYYBRTWSPBI-VXNXHJTFSA-N 0 3 523.383 4.908 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000097955296 553830965 /nfs/dbraw/zinc/83/09/65/553830965.db2.gz UNGVCUZYNZMLNZ-KCHLEUMXSA-N 0 3 532.593 4.942 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000097955297 553831040 /nfs/dbraw/zinc/83/10/40/553831040.db2.gz UNGVCUZYNZMLNZ-IARZGTGTSA-N 0 3 532.593 4.942 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000097955716 553833211 /nfs/dbraw/zinc/83/32/11/553833211.db2.gz LMTASRWXQJSKHM-VBOOUTDYSA-N 0 3 532.593 4.942 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000097955717 553833168 /nfs/dbraw/zinc/83/31/68/553833168.db2.gz LMTASRWXQJSKHM-OARDWFSCSA-N 0 3 532.593 4.942 40 0 KJABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000097955787 553834002 /nfs/dbraw/zinc/83/40/02/553834002.db2.gz LQOZLPOWRIIDBC-VABKMULXSA-N 0 3 509.356 4.517 40 0 KJABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000097955788 553834015 /nfs/dbraw/zinc/83/40/15/553834015.db2.gz LQOZLPOWRIIDBC-ZLNRFVROSA-N 0 3 509.356 4.517 40 0 KJABHN COc1cc(CNCCNCc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000097966061 553906789 /nfs/dbraw/zinc/90/67/89/553906789.db2.gz DPZARBQNAGUGMZ-UHFFFAOYSA-N 0 3 598.700 4.618 40 0 KJABHN CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000098005919 554059663 /nfs/dbraw/zinc/05/96/63/554059663.db2.gz BNNMNVQRFLHYDE-MUUNZHRXSA-N 0 3 593.794 4.564 40 0 KJABHN CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000098005920 554059653 /nfs/dbraw/zinc/05/96/53/554059653.db2.gz BNNMNVQRFLHYDE-NDEPHWFRSA-N 0 3 593.794 4.564 40 0 KJABHN CN(C(=O)CN1c2cc(Cl)c(Cl)cc2OCC1=O)[C@@H](CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1 ZINC000098052706 554176387 /nfs/dbraw/zinc/17/63/87/554176387.db2.gz QDUMEBKFKOODFN-SANMLTNESA-N 0 3 581.500 4.780 40 0 in-vitro KJABHN CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000100153404 554232308 /nfs/dbraw/zinc/23/23/08/554232308.db2.gz HMYPZNPDPKHDRV-SSEXGKCCSA-N 0 3 637.847 4.963 40 0 KJABHN CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000100153411 554232318 /nfs/dbraw/zinc/23/23/18/554232318.db2.gz HMYPZNPDPKHDRV-PMERELPUSA-N 0 3 637.847 4.963 40 0 KJABHN CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CCCCC3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000100153432 554232297 /nfs/dbraw/zinc/23/22/97/554232297.db2.gz AMPCBYUPQOKHEU-MUUNZHRXSA-N 0 3 599.842 4.692 40 0 KJABHN CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000100153439 554232225 /nfs/dbraw/zinc/23/22/25/554232225.db2.gz AMPCBYUPQOKHEU-NDEPHWFRSA-N 0 3 599.842 4.692 40 0 KJABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)cc1 ZINC000100191314 554244818 /nfs/dbraw/zinc/24/48/18/554244818.db2.gz RZQPOQBXCOFRGD-RCCKNPSSSA-N 0 3 560.470 4.623 40 0 KJABHN Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC3CCCC3)c3cccs3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000100276735 554273909 /nfs/dbraw/zinc/27/39/09/554273909.db2.gz VFBZTBHVRPBYKS-LJAQVGFWSA-N 0 3 587.750 4.596 40 0 KJABHN Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000100288894 554281821 /nfs/dbraw/zinc/28/18/21/554281821.db2.gz VNGWSKOSFQLCIY-HKBQPEDESA-N 0 3 599.711 4.674 40 0 KJABHN Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000100288896 554281760 /nfs/dbraw/zinc/28/17/60/554281760.db2.gz VNGWSKOSFQLCIY-WJOKGBTCSA-N 0 3 599.711 4.674 40 0 KJABHN Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000100290229 554283480 /nfs/dbraw/zinc/28/34/80/554283480.db2.gz BWIADHFGQTUBOS-XIFFEERXSA-N 0 3 621.717 4.932 40 0 KJABHN Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000100290231 554283453 /nfs/dbraw/zinc/28/34/53/554283453.db2.gz BWIADHFGQTUBOS-MGBGTMOVSA-N 0 3 621.717 4.932 40 0 KJABHN O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000100366566 554352935 /nfs/dbraw/zinc/35/29/35/554352935.db2.gz ZAHGKGSTBIQZKR-UHFFFAOYSA-N 0 3 539.499 4.663 40 0 KJABHN COc1ccc2[nH]c([C@@H]3CCc4cc(OC)c(OC)cc43)c(CCN[C@@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000100430954 554390902 /nfs/dbraw/zinc/39/09/02/554390902.db2.gz LMNGLYHDJARMIM-AJTFRIOCSA-N 0 3 539.632 4.736 40 0 KJABHN COc1ccc2[nH]c([C@H]3CCc4cc(OC)c(OC)cc43)c(CCN[C@@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000100430957 554391193 /nfs/dbraw/zinc/39/11/93/554391193.db2.gz LMNGLYHDJARMIM-WXVAWEFUSA-N 0 3 539.632 4.736 40 0 KJABHN COc1ccc2[nH]c([C@@H]3CCc4cc(OC)c(OC)cc43)c(CCN[C@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000100430961 554391213 /nfs/dbraw/zinc/39/12/13/554391213.db2.gz LMNGLYHDJARMIM-AMGIVPHBSA-N 0 3 539.632 4.736 40 0 KJABHN COc1ccc2[nH]c([C@H]3CCc4cc(OC)c(OC)cc43)c(CCN[C@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000100430966 554391154 /nfs/dbraw/zinc/39/11/54/554391154.db2.gz LMNGLYHDJARMIM-CUNXSJBXSA-N 0 3 539.632 4.736 40 0 KJABHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000100766318 554469842 /nfs/dbraw/zinc/46/98/42/554469842.db2.gz GOSDQROTNDDOBF-SGNDLWITSA-N 0 3 502.592 4.773 40 0 KJABHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000100766322 554469832 /nfs/dbraw/zinc/46/98/32/554469832.db2.gz GOSDQROTNDDOBF-VXNXHJTFSA-N 0 3 502.592 4.773 40 0 KJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000100884638 554508395 /nfs/dbraw/zinc/50/83/95/554508395.db2.gz DPSCPAUNQJIQFK-VJBWXMMDSA-N 0 3 509.356 4.517 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 ZINC000100919349 554520819 /nfs/dbraw/zinc/52/08/19/554520819.db2.gz SLFHHAKBDIOKSZ-VSKRKVRLSA-N 0 3 517.994 4.912 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 ZINC000100919354 554520767 /nfs/dbraw/zinc/52/07/67/554520767.db2.gz SLFHHAKBDIOKSZ-FSSWDIPSSA-N 0 3 517.994 4.912 40 0 KJABHN O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000100920027 554521093 /nfs/dbraw/zinc/52/10/93/554521093.db2.gz LCXZCSHRMYPTQK-HKBOAZHASA-N 0 3 521.957 4.743 40 0 KJABHN O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000100920030 554521060 /nfs/dbraw/zinc/52/10/60/554521060.db2.gz LCXZCSHRMYPTQK-NJYVYQBISA-N 0 3 521.957 4.743 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000100920651 554521084 /nfs/dbraw/zinc/52/10/84/554521084.db2.gz YFLRBLNXCVATHI-VSKRKVRLSA-N 0 3 517.994 4.912 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000100920653 554521359 /nfs/dbraw/zinc/52/13/59/554521359.db2.gz YFLRBLNXCVATHI-FSSWDIPSSA-N 0 3 517.994 4.912 40 0 KJABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000101001426 554552483 /nfs/dbraw/zinc/55/24/83/554552483.db2.gz HIWHXHSESLOOGQ-XLNRJJMWSA-N 0 3 530.046 4.904 40 0 KJABHN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)NCCN(Cc1ccco1)C1CCCC1 ZINC000101051746 554568630 /nfs/dbraw/zinc/56/86/30/554568630.db2.gz VMKPBWOBSIFKLP-UHFFFAOYSA-N 0 3 573.097 4.833 40 0 KJABHN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000101054576 554569254 /nfs/dbraw/zinc/56/92/54/554569254.db2.gz YSHCDVHRSBXTKW-VJBWXMMDSA-N 0 3 509.356 4.517 40 0 KJABHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101097109 554584849 /nfs/dbraw/zinc/58/48/49/554584849.db2.gz GLCNHWBHNNLGNE-PKTNWEFCSA-N 0 3 520.541 4.966 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000101099026 554585954 /nfs/dbraw/zinc/58/59/54/554585954.db2.gz QGGHOGJQZWHCFH-PKTNWEFCSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000101099031 554585998 /nfs/dbraw/zinc/58/59/98/554585998.db2.gz QGGHOGJQZWHCFH-FCEKVYKBSA-N 0 3 540.597 4.814 40 0 KJABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000101099888 554586834 /nfs/dbraw/zinc/58/68/34/554586834.db2.gz YOQWWPKGYIQFCM-KCHLEUMXSA-N 0 3 520.541 4.966 40 0 KJABHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000101099890 554586790 /nfs/dbraw/zinc/58/67/90/554586790.db2.gz YOQWWPKGYIQFCM-FCEKVYKBSA-N 0 3 520.541 4.966 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000101107731 554640448 /nfs/dbraw/zinc/64/04/48/554640448.db2.gz USMLGOCMAVDZAG-PVHODMMVSA-N 0 3 518.566 4.552 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000101107736 554640530 /nfs/dbraw/zinc/64/05/30/554640530.db2.gz USMLGOCMAVDZAG-PFBJBMPXSA-N 0 3 518.566 4.552 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000101108984 554640753 /nfs/dbraw/zinc/64/07/53/554640753.db2.gz AYBMZNQKYRKQDE-PKTNWEFCSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000101108990 554640719 /nfs/dbraw/zinc/64/07/19/554640719.db2.gz AYBMZNQKYRKQDE-FCEKVYKBSA-N 0 3 540.597 4.814 40 0 KJABHN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101112754 554642073 /nfs/dbraw/zinc/64/20/73/554642073.db2.gz XITPCMNFQGWLBM-PVHODMMVSA-N 0 3 502.567 4.934 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000101113732 554642439 /nfs/dbraw/zinc/64/24/39/554642439.db2.gz IRHSOAZMWCCHOB-PKTNWEFCSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000101113741 554642390 /nfs/dbraw/zinc/64/23/90/554642390.db2.gz IRHSOAZMWCCHOB-FCEKVYKBSA-N 0 3 540.597 4.814 40 0 KJABHN COc1cc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101114986 554642829 /nfs/dbraw/zinc/64/28/29/554642829.db2.gz BVYWYZXWCUQGJJ-KCHLEUMXSA-N 0 3 510.546 4.917 40 0 KJABHN CCC1(CC)C(=O)N(CCCCN2CCN(c3ccccc3)CC2)C(=O)N(CCCCN2CCN(c3ccccc3)CC2)C1=O ZINC000101137088 554651750 /nfs/dbraw/zinc/65/17/50/554651750.db2.gz JREDPWARYXBMGI-UHFFFAOYSA-N 0 3 616.851 4.788 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)cc1 ZINC000101138214 554652061 /nfs/dbraw/zinc/65/20/61/554652061.db2.gz PZOAVUVOTVTTCY-PKTNWEFCSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)cc1 ZINC000101138219 554652029 /nfs/dbraw/zinc/65/20/29/554652029.db2.gz PZOAVUVOTVTTCY-FCEKVYKBSA-N 0 3 540.597 4.814 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000101138994 554652323 /nfs/dbraw/zinc/65/23/23/554652323.db2.gz MSCMGAYIEHZOGR-DSITVLBTSA-N 0 3 508.958 4.894 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000101138999 554652259 /nfs/dbraw/zinc/65/22/59/554652259.db2.gz MSCMGAYIEHZOGR-SDHSZQHLSA-N 0 3 508.958 4.894 40 0 KJABHN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101140564 554653113 /nfs/dbraw/zinc/65/31/13/554653113.db2.gz BZYYLYYTEBWSRW-QKDODKLFSA-N 0 3 502.567 4.934 40 0 KJABHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101142541 554654315 /nfs/dbraw/zinc/65/43/15/554654315.db2.gz CTCQFSBMMNVBBQ-FSSWDIPSSA-N 0 3 529.774 4.868 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O ZINC000101144457 554655641 /nfs/dbraw/zinc/65/56/41/554655641.db2.gz XPIBMGMTTNTAFQ-PKTNWEFCSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O ZINC000101144460 554655624 /nfs/dbraw/zinc/65/56/24/554655624.db2.gz XPIBMGMTTNTAFQ-FCEKVYKBSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000101174545 554662391 /nfs/dbraw/zinc/66/23/91/554662391.db2.gz WVIQMLLJZZBOCT-PKTNWEFCSA-N 0 3 540.597 4.814 40 0 KJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000101174548 554662414 /nfs/dbraw/zinc/66/24/14/554662414.db2.gz WVIQMLLJZZBOCT-FCEKVYKBSA-N 0 3 540.597 4.814 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000101178000 554665568 /nfs/dbraw/zinc/66/55/68/554665568.db2.gz DQBHENFMJQEKBL-DPZBCOQUSA-N 0 3 518.566 4.552 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000101178007 554665468 /nfs/dbraw/zinc/66/54/68/554665468.db2.gz DQBHENFMJQEKBL-XFAFFCHDSA-N 0 3 518.566 4.552 40 0 KJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101181306 554667038 /nfs/dbraw/zinc/66/70/38/554667038.db2.gz DZNKLUCVFPQYRL-VJBWXMMDSA-N 0 3 509.356 4.517 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101183987 554668765 /nfs/dbraw/zinc/66/87/65/554668765.db2.gz YQHMCXNPSUVVDG-KLJDGLGGSA-N 0 3 518.566 4.552 40 0 KJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101183992 554668785 /nfs/dbraw/zinc/66/87/85/554668785.db2.gz YQHMCXNPSUVVDG-WEWMWRJBSA-N 0 3 518.566 4.552 40 0 KJABHN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101184954 554668937 /nfs/dbraw/zinc/66/89/37/554668937.db2.gz LRBKOSZXIYIYBS-QKDODKLFSA-N 0 3 502.567 4.934 40 0 KJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000101185128 554668946 /nfs/dbraw/zinc/66/89/46/554668946.db2.gz LIBDXMDOAPMSDR-SGNDLWITSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000101185132 554668976 /nfs/dbraw/zinc/66/89/76/554668976.db2.gz LIBDXMDOAPMSDR-SMIHKQSGSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3OC)[C@H]2C1=O ZINC000101186960 554669375 /nfs/dbraw/zinc/66/93/75/554669375.db2.gz JTIRNWDGRKBKGI-SGNDLWITSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Br)ccc3OC)[C@H]2C1=O ZINC000101186971 554669401 /nfs/dbraw/zinc/66/94/01/554669401.db2.gz JTIRNWDGRKBKGI-SMIHKQSGSA-N 0 3 523.383 4.908 40 0 KJABHN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc(OC)c1OC ZINC000101189290 554670345 /nfs/dbraw/zinc/67/03/45/554670345.db2.gz ORNQRVQPUKWWID-PBWSGDRGSA-N 0 3 510.546 4.917 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC)c(Br)c3)[C@H]2C1=O ZINC000101192628 554670954 /nfs/dbraw/zinc/67/09/54/554670954.db2.gz DEFWJFLZTDZMDE-SGNDLWITSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC)c(Br)c3)[C@H]2C1=O ZINC000101192632 554671062 /nfs/dbraw/zinc/67/10/62/554671062.db2.gz DEFWJFLZTDZMDE-SMIHKQSGSA-N 0 3 523.383 4.908 40 0 KJABHN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc(OC[C@@H](O)CN4CCN(c5ccc(C)c(Cl)c5)CC4)cc3)CC2)cc1Cl ZINC000101209915 554678576 /nfs/dbraw/zinc/67/85/76/554678576.db2.gz SLLWWMSLIZILTB-RNPORBBMSA-N 0 3 643.656 4.734 40 0 KJABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000101213319 554680471 /nfs/dbraw/zinc/68/04/71/554680471.db2.gz LZOAYYBRTWSPBI-SGNDLWITSA-N 0 3 523.383 4.908 40 0 KJABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000101213323 554680495 /nfs/dbraw/zinc/68/04/95/554680495.db2.gz LZOAYYBRTWSPBI-SMIHKQSGSA-N 0 3 523.383 4.908 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000101242087 554693441 /nfs/dbraw/zinc/69/34/41/554693441.db2.gz UNGVCUZYNZMLNZ-PKTNWEFCSA-N 0 3 532.593 4.942 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000101242098 554693414 /nfs/dbraw/zinc/69/34/14/554693414.db2.gz UNGVCUZYNZMLNZ-FCEKVYKBSA-N 0 3 532.593 4.942 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000101250650 554694054 /nfs/dbraw/zinc/69/40/54/554694054.db2.gz LMTASRWXQJSKHM-QQNWGBJXSA-N 0 3 532.593 4.942 40 0 KJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000101250658 554694013 /nfs/dbraw/zinc/69/40/13/554694013.db2.gz LMTASRWXQJSKHM-SKVJQKLOSA-N 0 3 532.593 4.942 40 0 KJABHN O=C1C[C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N2C(=O)C[C@H](NCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000101406211 554761730 /nfs/dbraw/zinc/76/17/30/554761730.db2.gz PKHUESKAJFUHFK-PSWAGMNNSA-N 0 3 618.534 4.568 40 0 KJABHN CC(=O)Oc1ccc(C(=O)[C@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590312 554802531 /nfs/dbraw/zinc/80/25/31/554802531.db2.gz XJOPJYXYFWDENA-XWJIURCXSA-N 0 3 555.590 4.863 40 0 KJABHN CC(=O)Oc1ccc(C(=O)[C@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590322 554802499 /nfs/dbraw/zinc/80/24/99/554802499.db2.gz XJOPJYXYFWDENA-YQQRZDPSSA-N 0 3 555.590 4.863 40 0 KJABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000102481960 554937489 /nfs/dbraw/zinc/93/74/89/554937489.db2.gz GSQZDYYGRHMAIA-HKBOAZHASA-N 0 3 555.008 4.724 40 0 KJABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000102481964 554937476 /nfs/dbraw/zinc/93/74/76/554937476.db2.gz GSQZDYYGRHMAIA-ACRUOGEOSA-N 0 3 555.008 4.724 40 0 KJABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000102481967 554937467 /nfs/dbraw/zinc/93/74/67/554937467.db2.gz GSQZDYYGRHMAIA-NJYVYQBISA-N 0 3 555.008 4.724 40 0 KJABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000102481971 554937481 /nfs/dbraw/zinc/93/74/81/554937481.db2.gz GSQZDYYGRHMAIA-HBMCJLEFSA-N 0 3 555.008 4.724 40 0 KJABHN CCOc1c(Br)cc(Br)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000102558470 554965855 /nfs/dbraw/zinc/96/58/55/554965855.db2.gz SLTPBBGHJGAWRG-UHFFFAOYSA-N 0 3 527.286 4.858 40 0 KJABHN COc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000102559422 554966855 /nfs/dbraw/zinc/96/68/55/554966855.db2.gz SSAWBNQSMLJXLO-UHFFFAOYSA-N 0 3 526.460 4.894 40 0 KJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000102698336 555012068 /nfs/dbraw/zinc/01/20/68/555012068.db2.gz DPSCPAUNQJIQFK-XPWALMASSA-N 0 3 509.356 4.517 40 0 KJABHN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102730751 555023516 /nfs/dbraw/zinc/02/35/16/555023516.db2.gz YSHCDVHRSBXTKW-RJGXRXQPSA-N 0 3 509.356 4.517 40 0 KJABHN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102730751 555023514 /nfs/dbraw/zinc/02/35/14/555023514.db2.gz YSHCDVHRSBXTKW-RJGXRXQPSA-N 0 3 509.356 4.517 40 0 KJABHN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102730759 555023509 /nfs/dbraw/zinc/02/35/09/555023509.db2.gz YSHCDVHRSBXTKW-XPWALMASSA-N 0 3 509.356 4.517 40 0 KJABHN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102730759 555023508 /nfs/dbraw/zinc/02/35/08/555023508.db2.gz YSHCDVHRSBXTKW-XPWALMASSA-N 0 3 509.356 4.517 40 0 KJABHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102739190 555027737 /nfs/dbraw/zinc/02/77/37/555027737.db2.gz GLCNHWBHNNLGNE-OZNIXHKMSA-N 0 3 520.541 4.966 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102739600 555028119 /nfs/dbraw/zinc/02/81/19/555028119.db2.gz PZHYBGUBOYUARH-QKDODKLFSA-N 0 3 544.560 4.645 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102739608 555028152 /nfs/dbraw/zinc/02/81/52/555028152.db2.gz PZHYBGUBOYUARH-PVHODMMVSA-N 0 3 544.560 4.645 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102743216 555033854 /nfs/dbraw/zinc/03/38/54/555033854.db2.gz HIWDNABESQCEPP-VJGNERBWSA-N 0 3 544.560 4.645 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102743220 555033863 /nfs/dbraw/zinc/03/38/63/555033863.db2.gz HIWDNABESQCEPP-PFBJBMPXSA-N 0 3 544.560 4.645 40 0 KJABHN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102743935 555035003 /nfs/dbraw/zinc/03/50/03/555035003.db2.gz XITPCMNFQGWLBM-KWXIBIRDSA-N 0 3 502.567 4.934 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000102744412 555035513 /nfs/dbraw/zinc/03/55/13/555035513.db2.gz GZQFZDNPGFECFD-PFBJBMPXSA-N 0 3 526.570 4.505 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102744417 555035399 /nfs/dbraw/zinc/03/53/99/555035399.db2.gz GZQFZDNPGFECFD-VJGNERBWSA-N 0 3 526.570 4.505 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000102744420 555035529 /nfs/dbraw/zinc/03/55/29/555035529.db2.gz GZQFZDNPGFECFD-PVHODMMVSA-N 0 3 526.570 4.505 40 0 KJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102744423 555035411 /nfs/dbraw/zinc/03/54/11/555035411.db2.gz 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CCc1nccn1CCOc1ccc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585272681 1066384498 /nfs/dbraw/zinc/38/44/98/1066384498.db2.gz VKQNWFXHPKMFRK-NDEPHWFRSA-N 0 3 514.066 4.901 40 0 KJABHN COc1ccc(CN2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1ccnc1C ZINC000585272737 1066383392 /nfs/dbraw/zinc/38/33/92/1066383392.db2.gz WGCOMGIMEHKZOV-HHHXNRCGSA-N 0 3 500.039 4.647 40 0 KJABHN COc1ccc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1ccnc1C ZINC000585272739 1066383288 /nfs/dbraw/zinc/38/32/88/1066383288.db2.gz WGCOMGIMEHKZOV-MHZLTWQESA-N 0 3 500.039 4.647 40 0 KJABHN COc1ccc(CN2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCn1ccnc1C ZINC000585272815 1066383831 /nfs/dbraw/zinc/38/38/31/1066383831.db2.gz XBMIMWAJDAOLGI-UHFFFAOYSA-N 0 3 514.066 4.955 40 0 KJABHN COc1cc(CN2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1ccnc1C ZINC000585272847 1066383750 /nfs/dbraw/zinc/38/37/50/1066383750.db2.gz XOSBBHDRLLUDNA-UHFFFAOYSA-N 0 3 520.457 4.992 40 0 KJABHN CCc1nccn1CCOc1cc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OC ZINC000585272877 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