smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](C)CN1C ZINC001164642636 719235374 /nfs/dbraw/zinc/23/53/74/719235374.db2.gz XDMZGAAKDQURHY-HZPDHXFCSA-N -1 1 469.567 2.731 20 0 JFADMM CN1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC001164666063 719437567 /nfs/dbraw/zinc/43/75/67/719437567.db2.gz AUXOQAFCXCZDNX-RTBURBONSA-N -1 1 459.959 2.603 20 0 JFADMM O=S(=O)([N-]c1nc2ccccc2nc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2)c1cccs1 ZINC001164967468 722075836 /nfs/dbraw/zinc/07/58/36/722075836.db2.gz RFYUCOJNABXCKE-CALCHBBNSA-N -1 1 471.608 2.792 20 0 JFADMM O=C(NCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)c1cnccn1 ZINC001263847863 1059501541 /nfs/dbraw/zinc/50/15/41/1059501541.db2.gz ZNSQHBMQWBLEEY-UHFFFAOYSA-N -1 1 494.360 2.744 20 0 JFADMM CCC(CC)NC(=O)[C@H]1CN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c2ccccc2O1 ZINC001264908145 1059722953 /nfs/dbraw/zinc/72/29/53/1059722953.db2.gz QIJPABOATWZWFC-HXUWFJFHSA-N -1 1 451.527 2.693 20 0 JFADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC001265496131 1059872951 /nfs/dbraw/zinc/87/29/51/1059872951.db2.gz WROLYMKOPCUEEC-NFBKMPQASA-N -1 1 454.571 2.852 20 0 JFADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC001265496145 1059873153 /nfs/dbraw/zinc/87/31/53/1059873153.db2.gz WROLYMKOPCUEEC-OFNKIYASSA-N -1 1 454.571 2.852 20 0 JFADMM Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC001289676665 1061293276 /nfs/dbraw/zinc/29/32/76/1061293276.db2.gz IVEMBIHJPYSXOY-SFHVURJKSA-N -1 1 478.519 2.789 20 0 JFADMM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001290142936 1061877358 /nfs/dbraw/zinc/87/73/58/1061877358.db2.gz ODNHEOQIRDWCOM-QGZVFWFLSA-N -1 1 459.977 2.653 20 0 JFADMM Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ncccc3[O-])ccc2C)c1 ZINC001290172104 1061916376 /nfs/dbraw/zinc/91/63/76/1061916376.db2.gz VDNXNXNXGHNESB-UHFFFAOYSA-N -1 1 454.508 2.573 20 0 JFADMM CC(C)(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@]1(O)CCSC1 ZINC001287023751 1061964778 /nfs/dbraw/zinc/96/47/78/1061964778.db2.gz GFAONWQABYJRKK-IBGZPJMESA-N -1 1 463.570 2.630 20 0 JFADMM CCCCNS(=O)(=O)c1cccc(NC(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)c1 ZINC001290297496 1062027032 /nfs/dbraw/zinc/02/70/32/1062027032.db2.gz DPFNJULQAWFSCB-UHFFFAOYSA-N -1 1 459.524 2.876 20 0 JFADMM Cc1nc(Cc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@H]2CCCO2)cs1 ZINC001290417695 1062147501 /nfs/dbraw/zinc/14/75/01/1062147501.db2.gz ONYDKDGUEAIKTA-MRXNPFEDSA-N -1 1 472.537 2.708 20 0 JFADMM C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@@H]1c1ccc(F)cc1 ZINC001295094939 1062927682 /nfs/dbraw/zinc/92/76/82/1062927682.db2.gz PRRMTXBJZUHOOC-JXFKEZNVSA-N -1 1 453.486 2.720 20 0 JFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](CC(F)F)C(=O)OC)cc2)cc1 ZINC001295141433 1062959942 /nfs/dbraw/zinc/95/99/42/1062959942.db2.gz BHJNKHHSVYVQKJ-QGZVFWFLSA-N -1 1 456.467 2.813 20 0 JFADMM CCN(CC)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001295318088 1063193691 /nfs/dbraw/zinc/19/36/91/1063193691.db2.gz DZPZRUXPSWUFOR-NRFANRHFSA-N -1 1 496.612 2.683 20 0 JFADMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCc2cccc(F)n2)cc1 ZINC001295327721 1063225858 /nfs/dbraw/zinc/22/58/58/1063225858.db2.gz GXFPKTRXEYKLOY-KRWDZBQOSA-N -1 1 455.515 2.573 20 0 JFADMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCc2cccc(F)n2)cc1 ZINC001295327722 1063226057 /nfs/dbraw/zinc/22/60/57/1063226057.db2.gz GXFPKTRXEYKLOY-QGZVFWFLSA-N -1 1 455.515 2.573 20 0 JFADMM CC(C)(C)n1ncc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1Br ZINC001295524479 1063562608 /nfs/dbraw/zinc/56/26/08/1063562608.db2.gz WCTVITCNMZMNSB-UHFFFAOYSA-N -1 1 457.350 2.799 20 0 JFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3(c4ncon4)CCOCC3)cc2)c1 ZINC001295556764 1063590451 /nfs/dbraw/zinc/59/04/51/1063590451.db2.gz GTWLJQNWYRLFQG-UHFFFAOYSA-N -1 1 456.524 2.923 20 0 JFADMM CCc1nn(C)c(OC)c1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001295690181 1063720917 /nfs/dbraw/zinc/72/09/17/1063720917.db2.gz ADUWRBVKJUBOEZ-UHFFFAOYSA-N -1 1 458.540 2.731 20 0 JFADMM CCS(=O)(=O)CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC001296020460 1064081716 /nfs/dbraw/zinc/08/17/16/1064081716.db2.gz AWVMWCISSLAXPZ-UHFFFAOYSA-N -1 1 458.989 2.956 20 0 JFADMM C[C@H](CN(C)C(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)c1nn[n-]n1 ZINC001296064985 1064130810 /nfs/dbraw/zinc/13/08/10/1064130810.db2.gz UGLNQABHKFVJSF-CYBMUJFWSA-N -1 1 454.512 2.535 20 0 JFADMM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(F)cc2I)C1=O ZINC001296102966 1064179480 /nfs/dbraw/zinc/17/94/80/1064179480.db2.gz SWKRDMUTKHXNAZ-QGZVFWFLSA-N -1 1 453.211 2.542 20 0 JFADMM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(F)cc2I)C1=O ZINC001296102957 1064179488 /nfs/dbraw/zinc/17/94/88/1064179488.db2.gz SWKRDMUTKHXNAZ-KRWDZBQOSA-N -1 1 453.211 2.542 20 0 JFADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cn2ccc(Br)cc2n1 ZINC001296141487 1064247074 /nfs/dbraw/zinc/24/70/74/1064247074.db2.gz KGEQDPIUYZCXMY-AWEZNQCLSA-N -1 1 450.659 2.922 20 0 JFADMM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC001296141891 1064248212 /nfs/dbraw/zinc/24/82/12/1064248212.db2.gz NDFKVRLYYCCAOQ-UGSOOPFHSA-N -1 1 451.934 2.666 20 0 JFADMM CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001291822358 1064363953 /nfs/dbraw/zinc/36/39/53/1064363953.db2.gz HZYCMNOLZVZILQ-GOSISDBHSA-N -1 1 496.612 2.510 20 0 JFADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)C3(O)CCC3)cc2)cc1OC ZINC001291871820 1064485057 /nfs/dbraw/zinc/48/50/57/1064485057.db2.gz LYIRCHFEYJNSMA-UHFFFAOYSA-N -1 1 456.467 2.993 20 0 JFADMM CCc1nnc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC001292791569 1065553080 /nfs/dbraw/zinc/55/30/80/1065553080.db2.gz MJMXFHNSVVAFEE-UHFFFAOYSA-N -1 1 468.509 2.630 20 0 JFADMM CC1CCC(NC(=O)CN2CCN(C(=O)c3cc(-c4ccc(C=O)o4)ccc3[O-])CC2)CC1 ZINC001292863719 1065578742 /nfs/dbraw/zinc/57/87/42/1065578742.db2.gz APPPHLBEKYFAOY-UHFFFAOYSA-N -1 1 453.539 2.917 20 0 JFADMM Cc1ccc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001293246034 1065910830 /nfs/dbraw/zinc/91/08/30/1065910830.db2.gz JLHYXGCDZORDJS-CQSZACIVSA-N -1 1 458.989 2.954 20 0 JFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001293324463 1065949022 /nfs/dbraw/zinc/94/90/22/1065949022.db2.gz GMBGZUPGKZUWAA-UHFFFAOYSA-N -1 1 451.508 2.783 20 0 JFADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)[C@H](C)CS(C)(=O)=O ZINC001293454893 1066011850 /nfs/dbraw/zinc/01/18/50/1066011850.db2.gz ZKLVHDXJMSGICT-OAHLLOKOSA-N -1 1 456.561 2.830 20 0 JFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C(=O)N(C)C)C3)c2)cc1 ZINC001293597694 1066110605 /nfs/dbraw/zinc/11/06/05/1066110605.db2.gz MYKQGNFUCVQLIB-IEBWSBKVSA-N -1 1 459.568 2.873 20 0 JFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)c2)cc1 ZINC001293597696 1066110637 /nfs/dbraw/zinc/11/06/37/1066110637.db2.gz MYKQGNFUCVQLIB-PKOBYXMFSA-N -1 1 459.568 2.873 20 0 JFADMM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC001293626406 1066141145 /nfs/dbraw/zinc/14/11/45/1066141145.db2.gz JNTZUFMLUKERRJ-SFHVURJKSA-N -1 1 459.597 2.677 20 0 JFADMM CCC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1)OC ZINC001293978467 1066480524 /nfs/dbraw/zinc/48/05/24/1066480524.db2.gz SNLNSEWGRAREFB-CTNGQTDRSA-N -1 1 490.626 2.800 20 0 JFADMM CN1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3cccc(Cl)c3)C[C@H]21 ZINC001164666879 719441798 /nfs/dbraw/zinc/44/17/98/719441798.db2.gz DQWMECYJIWTRAP-RTBURBONSA-N -1 1 459.959 2.603 20 0 JFADMM C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001289866814 1061548408 /nfs/dbraw/zinc/54/84/08/1061548408.db2.gz PYNINLSVJUEYNG-XPKDYRNWSA-N -1 1 479.421 2.969 20 0 JFADMM CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001286963734 1061738422 /nfs/dbraw/zinc/73/84/22/1061738422.db2.gz RQDOXSZMICIUSL-NRFANRHFSA-N -1 1 455.559 2.851 20 0 JFADMM COC1CCN(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001294233925 1061748393 /nfs/dbraw/zinc/74/83/93/1061748393.db2.gz QPVNJKWGENIGGY-UHFFFAOYSA-N -1 1 451.976 2.981 20 0 JFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccn2nnnc12 ZINC001290040602 1061756454 /nfs/dbraw/zinc/75/64/54/1061756454.db2.gz NHVUDHOGARZEEP-UHFFFAOYSA-N -1 1 458.887 2.839 20 0 JFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc2nnnn2c1 ZINC001290040242 1061756583 /nfs/dbraw/zinc/75/65/83/1061756583.db2.gz GWZFCXONRLSTAB-UHFFFAOYSA-N -1 1 458.887 2.839 20 0 JFADMM Cc1ccccc1OCCn1c(-c2cnn(C)c2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290213704 1061959664 /nfs/dbraw/zinc/95/96/64/1061959664.db2.gz XDKLLNVTESYTGE-UHFFFAOYSA-N -1 1 491.518 2.961 20 0 JFADMM CC(C)(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001287046988 1062030459 /nfs/dbraw/zinc/03/04/59/1062030459.db2.gz UOGNMJOUFNBQNR-UHFFFAOYSA-N -1 1 477.569 2.845 20 0 JFADMM COC(=O)C[C@@H](C)N1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC001294503141 1062038557 /nfs/dbraw/zinc/03/85/57/1062038557.db2.gz UPTMSUJNLZYBDY-GOSISDBHSA-N -1 1 459.568 2.505 20 0 JFADMM Cc1nc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC001290375825 1062078368 /nfs/dbraw/zinc/07/83/68/1062078368.db2.gz SQEBAKHIMYRNSQ-UHFFFAOYSA-N -1 1 482.536 2.695 20 0 JFADMM CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001294609413 1062118714 /nfs/dbraw/zinc/11/87/14/1062118714.db2.gz XCSGXRLKCSRDDI-UHFFFAOYSA-N -1 1 463.464 2.899 20 0 JFADMM O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001294740377 1062324314 /nfs/dbraw/zinc/32/43/14/1062324314.db2.gz ANTXPUQFKIJFME-UHFFFAOYSA-N -1 1 456.545 2.747 20 0 JFADMM Cc1cc(C)n(Cc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2CCCOC(F)F)n1 ZINC001290626471 1062499619 /nfs/dbraw/zinc/49/96/19/1062499619.db2.gz YLCAHCMWQYXTNG-UHFFFAOYSA-N -1 1 493.481 2.664 20 0 JFADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCC(=O)N1CCCCC1 ZINC001287198701 1062633977 /nfs/dbraw/zinc/63/39/77/1062633977.db2.gz VNGRTOOVCWWENQ-UHFFFAOYSA-N -1 1 458.529 2.699 20 0 JFADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)c2)cc1 ZINC001294932238 1062707179 /nfs/dbraw/zinc/70/71/79/1062707179.db2.gz JIHKEGVSALCTMU-CTNGQTDRSA-N -1 1 459.568 2.593 20 0 JFADMM O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(I)cc2[O-])CC1 ZINC001290837135 1062727632 /nfs/dbraw/zinc/72/76/32/1062727632.db2.gz KWGYGBFONJPYGI-UHFFFAOYSA-N -1 1 456.202 2.528 20 0 JFADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cc(OC)ccc3OCC(F)(F)C(F)F)nc2n1 ZINC001287289520 1062764506 /nfs/dbraw/zinc/76/45/06/1062764506.db2.gz QNMCMJUSHOCEMQ-UHFFFAOYSA-N -1 1 457.384 2.910 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)cc1 ZINC001294995915 1062783137 /nfs/dbraw/zinc/78/31/37/1062783137.db2.gz WBQOEPGDSOWRCA-SFTDATJTSA-N -1 1 455.536 2.573 20 0 JFADMM Cc1ccn(C[C@@](C)(O)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(=O)c1 ZINC001290943476 1062817339 /nfs/dbraw/zinc/81/73/39/1062817339.db2.gz SWFLVZZOMHXUKL-HSZRJFAPSA-N -1 1 455.536 2.656 20 0 JFADMM COc1n[nH]c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)n1 ZINC001295099149 1062930201 /nfs/dbraw/zinc/93/02/01/1062930201.db2.gz SPZUPCLSBQRJMA-UHFFFAOYSA-N -1 1 452.290 2.629 20 0 JFADMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(I)cc1[O-] ZINC001295099483 1062930653 /nfs/dbraw/zinc/93/06/53/1062930653.db2.gz XQIRHMJNIZOGGE-INIZCTEOSA-N -1 1 450.276 2.918 20 0 JFADMM C[C@@H](CO[N-]C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)NC(=O)OC(C)(C)C ZINC001295155842 1062978281 /nfs/dbraw/zinc/97/82/81/1062978281.db2.gz XAXJDRKLXBAYIV-GJZGRUSLSA-N -1 1 455.939 2.528 20 0 JFADMM C[C@H]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001291052798 1062985207 /nfs/dbraw/zinc/98/52/07/1062985207.db2.gz YFLPZLULJYPBNC-RDJZCZTQSA-N -1 1 470.540 2.845 20 0 JFADMM C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291078521 1063032473 /nfs/dbraw/zinc/03/24/73/1063032473.db2.gz QPWHMTWPHBYSST-VBKZILBWSA-N -1 1 454.497 2.719 20 0 JFADMM CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001295318089 1063193655 /nfs/dbraw/zinc/19/36/55/1063193655.db2.gz DZPZRUXPSWUFOR-OAQYLSRUSA-N -1 1 496.612 2.683 20 0 JFADMM C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CNC(=O)OC(C)(C)C ZINC001295393370 1063379385 /nfs/dbraw/zinc/37/93/85/1063379385.db2.gz DMQMSFQNTKSWIM-NSHDSACASA-N -1 1 454.376 2.549 20 0 JFADMM CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])nnn1Cc1ccccc1 ZINC001295505185 1063540729 /nfs/dbraw/zinc/54/07/29/1063540729.db2.gz LKGPFTVTFASIBE-UHFFFAOYSA-N -1 1 457.556 2.877 20 0 JFADMM 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COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001294740838 1062325750 /nfs/dbraw/zinc/32/57/50/1062325750.db2.gz LYCOXLATZDOGJW-JXFKEZNVSA-N -1 1 459.568 2.758 20 0 JFADMM COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001294740840 1062325906 /nfs/dbraw/zinc/32/59/06/1062325906.db2.gz LYCOXLATZDOGJW-OXQOHEQNSA-N -1 1 459.568 2.758 20 0 JFADMM COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001294740840 1062325919 /nfs/dbraw/zinc/32/59/19/1062325919.db2.gz LYCOXLATZDOGJW-OXQOHEQNSA-N -1 1 459.568 2.758 20 0 JFADMM Cc1cc(C)n(Cc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@@H]2OCCC2(C)C)n1 ZINC001290625197 1062494394 /nfs/dbraw/zinc/49/43/94/1062494394.db2.gz JKEJWTGBTGXNKC-SFHVURJKSA-N -1 1 497.566 2.850 20 0 JFADMM COc1ccc(NC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)cc1[N-]S(C)(=O)=O ZINC001290637926 1062521215 /nfs/dbraw/zinc/52/12/15/1062521215.db2.gz ZSWQVWBVDIGGFV-UHFFFAOYSA-N -1 1 451.455 2.545 20 0 JFADMM O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC001290680946 1062593433 /nfs/dbraw/zinc/59/34/33/1062593433.db2.gz RSWVLKRPQQDJAZ-UHFFFAOYSA-N -1 1 454.239 2.734 20 0 JFADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001287196186 1062628101 /nfs/dbraw/zinc/62/81/01/1062628101.db2.gz IKEXOEONUGPKMD-UHFFFAOYSA-N -1 1 495.550 2.576 20 0 JFADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1ncnn1-c1ccccc1 ZINC001287197533 1062630295 /nfs/dbraw/zinc/63/02/95/1062630295.db2.gz AAXYYDVOBNVRJW-UHFFFAOYSA-N -1 1 476.507 2.925 20 0 JFADMM CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)cc1 ZINC001290748175 1062666297 /nfs/dbraw/zinc/66/62/97/1062666297.db2.gz SZSBNPKVFHNXCU-HNNXBMFYSA-N -1 1 459.597 2.678 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)cc2)cc1 ZINC001294995905 1062782338 /nfs/dbraw/zinc/78/23/38/1062782338.db2.gz WBQOEPGDSOWRCA-NHCUHLMSSA-N -1 1 455.536 2.573 20 0 JFADMM Cc1noc(C)c1Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290940924 1062815233 /nfs/dbraw/zinc/81/52/33/1062815233.db2.gz LPCQXNREBLVZJE-MRXNPFEDSA-N -1 1 456.469 2.678 20 0 JFADMM C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@@H]1c1ccc(F)cc1 ZINC001295094942 1062927988 /nfs/dbraw/zinc/92/79/88/1062927988.db2.gz PRRMTXBJZUHOOC-UZLBHIALSA-N -1 1 453.486 2.720 20 0 JFADMM Cn1[nH]cnc1=NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC001295381736 1063354423 /nfs/dbraw/zinc/35/44/23/1063354423.db2.gz NTURORXQYQLKKN-UHFFFAOYSA-N -1 1 459.837 2.962 20 0 JFADMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(I)cc1[O-] ZINC001295455263 1063459850 /nfs/dbraw/zinc/45/98/50/1063459850.db2.gz VJVWGTRLKRJWFT-CYBMUJFWSA-N -1 1 459.305 2.979 20 0 JFADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])[C@H]1CCCCS1(=O)=O ZINC001295503975 1063539463 /nfs/dbraw/zinc/53/94/63/1063539463.db2.gz BGSBPQINHJVUMO-QGZVFWFLSA-N -1 1 458.945 2.752 20 0 JFADMM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])C1 ZINC001295523679 1063560615 /nfs/dbraw/zinc/56/06/15/1063560615.db2.gz ATHPQRZDBWVCMP-NRFANRHFSA-N -1 1 453.561 2.809 20 0 JFADMM O=C(COc1cccc(Br)c1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001295970291 1064017348 /nfs/dbraw/zinc/01/73/48/1064017348.db2.gz BVHHEGXEPPCPJM-UHFFFAOYSA-N -1 1 455.330 2.957 20 0 JFADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001291585578 1064118946 /nfs/dbraw/zinc/11/89/46/1064118946.db2.gz LLZGDRYZLXPBFA-KBPBESRZSA-N -1 1 452.490 2.882 20 0 JFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)cc2)ccc1F ZINC001296068282 1064133842 /nfs/dbraw/zinc/13/38/42/1064133842.db2.gz JUPXZOLUYLBTTH-SFHVURJKSA-N -1 1 454.545 2.584 20 0 JFADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnn4ccncc34)cc2)cc1OC ZINC001291870932 1064484458 /nfs/dbraw/zinc/48/44/58/1064484458.db2.gz AXZKZWNRDVKVMN-UHFFFAOYSA-N -1 1 453.480 2.800 20 0 JFADMM CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001292303735 1065074530 /nfs/dbraw/zinc/07/45/30/1065074530.db2.gz HIPJTXPIDPHMFU-AWEZNQCLSA-N -1 1 459.465 2.904 20 0 JFADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001292963264 1065645169 /nfs/dbraw/zinc/64/51/69/1065645169.db2.gz ZGDHPNJRAKSCQL-UHFFFAOYSA-N -1 1 476.544 2.992 20 0 JFADMM COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Cc1ccncc1 ZINC001293053406 1065713910 /nfs/dbraw/zinc/71/39/10/1065713910.db2.gz YXDFMFIWKLJSJW-LJQANCHMSA-N -1 1 453.520 2.644 20 0 JFADMM CCc1cc(N2CCC[C@H](NC(=O)c3cc(I)ccc3[O-])C2)ncn1 ZINC001293103183 1065750639 /nfs/dbraw/zinc/75/06/39/1065750639.db2.gz KHMFYNDNYPXJQA-AWEZNQCLSA-N -1 1 452.296 2.748 20 0 JFADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC001293165646 1065799684 /nfs/dbraw/zinc/79/96/84/1065799684.db2.gz SFIMQVWATQACGY-JTQLQIEISA-N -1 1 458.325 2.917 20 0 JFADMM 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O=C(NCCCOC[C@@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001293830630 1066334678 /nfs/dbraw/zinc/33/46/78/1066334678.db2.gz IWCQASUTPVGYTG-HNNXBMFYSA-N -1 1 454.495 2.939 20 0 JFADMM COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001293932138 1066411665 /nfs/dbraw/zinc/41/16/65/1066411665.db2.gz GKGXRDJDUKWBJR-QGZVFWFLSA-N -1 1 452.529 2.747 20 0 JFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N(C)C)C3)cc2)cc1 ZINC001263973480 1059503441 /nfs/dbraw/zinc/50/34/41/1059503441.db2.gz BOHWLTVYOZRIDM-GOSISDBHSA-N -1 1 459.568 2.827 20 0 JFADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC001265496143 1059873006 /nfs/dbraw/zinc/87/30/06/1059873006.db2.gz WROLYMKOPCUEEC-NZQKXSOJSA-N -1 1 454.571 2.852 20 0 JFADMM C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001289866813 1061548343 /nfs/dbraw/zinc/54/83/43/1061548343.db2.gz PYNINLSVJUEYNG-INWMFGNUSA-N -1 1 479.421 2.969 20 0 JFADMM COc1cc(=O)[nH]cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001290039638 1061755675 /nfs/dbraw/zinc/75/56/75/1061755675.db2.gz KWPMEVGFZBMHGJ-UHFFFAOYSA-N -1 1 457.464 2.620 20 0 JFADMM COCn1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)n1 ZINC001290046523 1061765245 /nfs/dbraw/zinc/76/52/45/1061765245.db2.gz SEISAIKVZBRBOQ-UHFFFAOYSA-N -1 1 458.496 2.701 20 0 JFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)cc1C ZINC001294325416 1061833678 /nfs/dbraw/zinc/83/36/78/1061833678.db2.gz SHLAAWLUEWOWBS-NRFANRHFSA-N -1 1 459.568 2.505 20 0 JFADMM Cc1cn2nnc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)c2c(=O)[nH]1 ZINC001290143688 1061878420 /nfs/dbraw/zinc/87/84/20/1061878420.db2.gz LBPILONZILGJOG-UHFFFAOYSA-N -1 1 458.887 2.845 20 0 JFADMM CC(C)(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001286998807 1061912064 /nfs/dbraw/zinc/91/20/64/1061912064.db2.gz FKKLSKUKWIBECF-HRAATJIYSA-N -1 1 473.540 2.809 20 0 JFADMM Cc1cccnc1Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290229645 1061977711 /nfs/dbraw/zinc/97/77/11/1061977711.db2.gz PXEUMIHPBXFOTI-QGZVFWFLSA-N -1 1 452.481 2.776 20 0 JFADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCN2C(=O)OC[C@H]2C1 ZINC001294596370 1062107520 /nfs/dbraw/zinc/10/75/20/1062107520.db2.gz PCMNEJSHAAVLAI-CQSZACIVSA-N -1 1 453.879 2.557 20 0 JFADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCN2C(=O)OC[C@@H]2C1 ZINC001294596369 1062107622 /nfs/dbraw/zinc/10/76/22/1062107622.db2.gz PCMNEJSHAAVLAI-AWEZNQCLSA-N -1 1 453.879 2.557 20 0 JFADMM Cc1ncc(Cn2c(Cc3ccccn3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC001290495311 1062284300 /nfs/dbraw/zinc/28/43/00/1062284300.db2.gz LXQZPUKGWGRSLS-UHFFFAOYSA-N -1 1 479.532 2.972 20 0 JFADMM O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001290497097 1062288218 /nfs/dbraw/zinc/28/82/18/1062288218.db2.gz ONTWYHNYRNAVJM-UHFFFAOYSA-N -1 1 451.552 2.643 20 0 JFADMM Cc1nn(C)c(C)c1Cn1c(-c2cccn2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290554957 1062358297 /nfs/dbraw/zinc/35/82/97/1062358297.db2.gz KMTLYHHHHVGTPQ-UHFFFAOYSA-N -1 1 478.523 2.577 20 0 JFADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cn(-c2cccnc2)nn1 ZINC001294944559 1062729384 /nfs/dbraw/zinc/72/93/84/1062729384.db2.gz HIYHCBGWOREPRI-UHFFFAOYSA-N -1 1 452.471 2.532 20 0 JFADMM COCCc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)n(C)n1 ZINC001294967530 1062749039 /nfs/dbraw/zinc/74/90/39/1062749039.db2.gz SIUUUKWNCYMORC-UHFFFAOYSA-N -1 1 450.467 2.940 20 0 JFADMM O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001290922399 1062798308 /nfs/dbraw/zinc/79/83/08/1062798308.db2.gz BXLMNZNOBYPIJK-CYBMUJFWSA-N -1 1 458.508 2.919 20 0 JFADMM Cc1noc(CCCn2c([C@H]3CCCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC001290955240 1062831307 /nfs/dbraw/zinc/83/13/07/1062831307.db2.gz IZCSBJSEULTHPY-MRXNPFEDSA-N -1 1 485.511 2.739 20 0 JFADMM CC(C)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001291051264 1062980801 /nfs/dbraw/zinc/98/08/01/1062980801.db2.gz CBCBXRSLBQUHTA-HOCLYGCPSA-N -1 1 458.529 2.747 20 0 JFADMM CC(C)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001291051265 1062980989 /nfs/dbraw/zinc/98/09/89/1062980989.db2.gz CBCBXRSLBQUHTA-ZBFHGGJFSA-N -1 1 458.529 2.747 20 0 JFADMM C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291078522 1063032565 /nfs/dbraw/zinc/03/25/65/1063032565.db2.gz QPWHMTWPHBYSST-VLIAUNLRSA-N -1 1 454.497 2.719 20 0 JFADMM Cc1ccnc2nc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[O-])nn21 ZINC001295505530 1063541824 /nfs/dbraw/zinc/54/18/24/1063541824.db2.gz PIRVYULTVZGATA-UHFFFAOYSA-N -1 1 458.887 2.845 20 0 JFADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1n[nH]c2ccc(Br)cc21 ZINC001295520149 1063556432 /nfs/dbraw/zinc/55/64/32/1063556432.db2.gz PESKVAKUSISXFV-UHFFFAOYSA-N -1 1 451.302 2.724 20 0 JFADMM CC[C@]1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC001295524022 1063561111 /nfs/dbraw/zinc/56/11/11/1063561111.db2.gz MGAAMAZRHPLIPL-OAQYLSRUSA-N -1 1 453.561 2.951 20 0 JFADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCNC(=O)[C@H]1c1ccccc1F ZINC001295530012 1063567387 /nfs/dbraw/zinc/56/73/87/1063567387.db2.gz LMRJXWHULLXVEN-OAQYLSRUSA-N -1 1 453.495 2.940 20 0 JFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(c4ncon4)CCOCC3)cc2)cc1C ZINC001295556761 1063590481 /nfs/dbraw/zinc/59/04/81/1063590481.db2.gz GRAZGOSAPNUSDM-UHFFFAOYSA-N -1 1 456.524 2.923 20 0 JFADMM C[C@@H]1COCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291297619 1063700527 /nfs/dbraw/zinc/70/05/27/1063700527.db2.gz AZNWBLKYYCFOLB-QAPCUYQASA-N -1 1 466.508 2.908 20 0 JFADMM CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])c(-c2ccccc2)n1 ZINC001295970955 1064017839 /nfs/dbraw/zinc/01/78/39/1064017839.db2.gz OITUOCKGPOZRGU-UHFFFAOYSA-N -1 1 456.524 2.549 20 0 JFADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc1Br ZINC001295971231 1064018262 /nfs/dbraw/zinc/01/82/62/1064018262.db2.gz XAEBTUWZNKUBIR-UHFFFAOYSA-N -1 1 455.330 2.736 20 0 JFADMM CC[C@H](C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291482161 1064036708 /nfs/dbraw/zinc/03/67/08/1064036708.db2.gz JLBHLSZNCWTJSK-KRWDZBQOSA-N -1 1 490.626 2.536 20 0 JFADMM CC[C@@H](C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001291482570 1064038276 /nfs/dbraw/zinc/03/82/76/1064038276.db2.gz RKCCXBLJNGHIBA-LJQANCHMSA-N -1 1 482.629 2.761 20 0 JFADMM CC[C@H](C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001291482569 1064038292 /nfs/dbraw/zinc/03/82/92/1064038292.db2.gz RKCCXBLJNGHIBA-IBGZPJMESA-N -1 1 482.629 2.761 20 0 JFADMM CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2)cc1 ZINC001296063501 1064129461 /nfs/dbraw/zinc/12/94/61/1064129461.db2.gz IVFCBKSIJKWZTA-HNNXBMFYSA-N -1 1 458.544 2.583 20 0 JFADMM O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001291597620 1064132013 /nfs/dbraw/zinc/13/20/13/1064132013.db2.gz SUFMGBKXBXOBAA-OAHLLOKOSA-N -1 1 458.458 2.798 20 0 JFADMM CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3c(F)ccc([O-])c3F)C2)CC1 ZINC001291885463 1064506023 /nfs/dbraw/zinc/50/60/23/1064506023.db2.gz FVLRTLQBTOIFNE-AWEZNQCLSA-N -1 1 453.486 2.602 20 0 JFADMM CCC(CC)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1C[C@@H]1C ZINC001292054909 1064722456 /nfs/dbraw/zinc/72/24/56/1064722456.db2.gz BJWXTOGSFQXVNL-DZGCQCFKSA-N -1 1 458.529 2.747 20 0 JFADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001292627446 1065364887 /nfs/dbraw/zinc/36/48/87/1065364887.db2.gz MTPHRPSIZKBTQZ-QFIPXVFZSA-N -1 1 452.942 2.514 20 0 JFADMM O=C(CSc1ccccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)NC1CCCCCCC1 ZINC001292975855 1065655244 /nfs/dbraw/zinc/65/52/44/1065655244.db2.gz JKUWSRRFMPYUOF-GOSISDBHSA-N -1 1 458.588 2.735 20 0 JFADMM Cn1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1=O ZINC001293044965 1065709828 /nfs/dbraw/zinc/70/98/28/1065709828.db2.gz RCUGQVWEMYTXMQ-UHFFFAOYSA-N -1 1 455.492 2.600 20 0 JFADMM CCOc1cc(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC001293532295 1066051563 /nfs/dbraw/zinc/05/15/63/1066051563.db2.gz GWWBNYVACYOKBJ-UHFFFAOYSA-N -1 1 458.886 2.873 20 0 JFADMM CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)Cc2ccccc2C1 ZINC001293575385 1066085831 /nfs/dbraw/zinc/08/58/31/1066085831.db2.gz XYVDRLFAXFWOET-UHFFFAOYSA-N -1 1 450.499 2.780 20 0 JFADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCOC[C@@H]1C(F)(F)F ZINC001293756047 1066235659 /nfs/dbraw/zinc/23/56/59/1066235659.db2.gz SEUIFORRMMOCFZ-QGZVFWFLSA-N -1 1 458.414 2.619 20 0 JFADMM CCC(CC)NC(=O)[C@@H]1CN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c2ccccc2O1 ZINC001264908144 1059722994 /nfs/dbraw/zinc/72/29/94/1059722994.db2.gz QIJPABOATWZWFC-FQEVSTJZSA-N -1 1 451.527 2.693 20 0 JFADMM O=C(Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cn2ccccc2=O)o1 ZINC001280501721 1060008371 /nfs/dbraw/zinc/00/83/71/1060008371.db2.gz JYEBQHKSHDCCNE-UHFFFAOYSA-N -1 1 458.883 2.951 20 0 JFADMM CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001286963736 1061738504 /nfs/dbraw/zinc/73/85/04/1061738504.db2.gz RQDOXSZMICIUSL-OAQYLSRUSA-N -1 1 455.559 2.851 20 0 JFADMM COc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)nn1 ZINC001290045631 1061763333 /nfs/dbraw/zinc/76/33/33/1061763333.db2.gz HBVWLFPADUAEMZ-UHFFFAOYSA-N -1 1 456.480 2.700 20 0 JFADMM Cc1onc(CO)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001290046091 1061764080 /nfs/dbraw/zinc/76/40/80/1061764080.db2.gz MFXWHBGVRHCEJQ-UHFFFAOYSA-N -1 1 459.480 2.690 20 0 JFADMM Cc1ccccc1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290183880 1061929268 /nfs/dbraw/zinc/92/92/68/1061929268.db2.gz RQSMDQVGGMHBMW-SFHVURJKSA-N -1 1 478.519 2.675 20 0 JFADMM COCCCn1c(=O)c2ccc(C(=O)NCCN(C)Cc3ccc(F)cc3)cc2[n-]c1=S ZINC001294406787 1061973530 /nfs/dbraw/zinc/97/35/30/1061973530.db2.gz LLCWUYWTJLFGKY-UHFFFAOYSA-N -1 1 458.559 2.723 20 0 JFADMM Cc1cnn(CCn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001290286345 1062014313 /nfs/dbraw/zinc/01/43/13/1062014313.db2.gz GDIBDAXWJWCOFY-KRWDZBQOSA-N -1 1 469.512 2.620 20 0 JFADMM COc1ccc(-n2cc(CNC(=O)c3ccc(I)c([O-])c3)nn2)cc1 ZINC001294640197 1062156521 /nfs/dbraw/zinc/15/65/21/1062156521.db2.gz HMBIEWNMVRJBJR-UHFFFAOYSA-N -1 1 450.236 2.516 20 0 JFADMM Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cnn1-c1ccc(=O)[nH]n1 ZINC001290497011 1062287419 /nfs/dbraw/zinc/28/74/19/1062287419.db2.gz NFEBCWJTMUGTKW-UHFFFAOYSA-N -1 1 450.480 2.729 20 0 JFADMM O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001290497580 1062289107 /nfs/dbraw/zinc/28/91/07/1062289107.db2.gz UFVFJVWFHKZCCT-UHFFFAOYSA-N -1 1 459.549 2.795 20 0 JFADMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)cn(C)c1=O ZINC001294885900 1062602249 /nfs/dbraw/zinc/60/22/49/1062602249.db2.gz ICXAYRRQESUBOQ-UHFFFAOYSA-N -1 1 455.492 2.518 20 0 JFADMM Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001290794194 1062701182 /nfs/dbraw/zinc/70/11/82/1062701182.db2.gz YKDSGEPZIYFDCD-KRWDZBQOSA-N -1 1 486.564 2.616 20 0 JFADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)c2)cc1 ZINC001294932242 1062707682 /nfs/dbraw/zinc/70/76/82/1062707682.db2.gz JIHKEGVSALCTMU-PZJWPPBQSA-N -1 1 459.568 2.593 20 0 JFADMM CCC1(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)CCOCC1 ZINC001295098100 1062929519 /nfs/dbraw/zinc/92/95/19/1062929519.db2.gz KNNXMZXLBKHOSF-GOSISDBHSA-N -1 1 458.584 2.798 20 0 JFADMM COC[C@@H](C)N(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)[C@@H]1CCc2ccccc21 ZINC001287478079 1062935591 /nfs/dbraw/zinc/93/55/91/1062935591.db2.gz FSQKVGFDYBIJQQ-VGOFRKELSA-N -1 1 454.571 2.811 20 0 JFADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])[C@@H]1CCCCS1(=O)=O ZINC001295503971 1063539411 /nfs/dbraw/zinc/53/94/11/1063539411.db2.gz BGSBPQINHJVUMO-KRWDZBQOSA-N -1 1 458.945 2.752 20 0 JFADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 ZINC001295641209 1063682830 /nfs/dbraw/zinc/68/28/30/1063682830.db2.gz JEVAEHZCQQYOKN-LBPRGKRZSA-N -1 1 456.337 2.869 20 0 JFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001295758706 1063762776 /nfs/dbraw/zinc/76/27/76/1063762776.db2.gz XMUKIFPOFASPLC-HNNXBMFYSA-N -1 1 453.449 2.685 20 0 JFADMM Cc1ccc(C(=O)N[C@@H](CCO)C2CCOCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001296119013 1064203151 /nfs/dbraw/zinc/20/31/51/1064203151.db2.gz QLARKTXGNBNARU-FQEVSTJZSA-N -1 1 450.532 2.842 20 0 JFADMM CC(=O)N[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1c(F)cccc1F ZINC001296142386 1064249698 /nfs/dbraw/zinc/24/96/98/1064249698.db2.gz RCPHHWPVTNVZNT-QAPCUYQASA-N -1 1 452.824 2.744 20 0 JFADMM C[C@]1(CO)CCCN1C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC001296178887 1064307266 /nfs/dbraw/zinc/30/72/66/1064307266.db2.gz JHUXTTNBUDTWMN-JOCHJYFZSA-N -1 1 459.499 2.867 20 0 JFADMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001296179296 1064308347 /nfs/dbraw/zinc/30/83/47/1064308347.db2.gz LWUSSNILWFICHL-UHFFFAOYSA-N -1 1 454.537 2.702 20 0 JFADMM COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2)c[nH]1 ZINC001291872092 1064485120 /nfs/dbraw/zinc/48/51/20/1064485120.db2.gz SRHSAEPKTXBQGM-UHFFFAOYSA-N -1 1 459.480 2.872 20 0 JFADMM CCC(CC)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1C[C@@H]1C ZINC001292054914 1064722734 /nfs/dbraw/zinc/72/27/34/1064722734.db2.gz BJWXTOGSFQXVNL-ZFWWWQNUSA-N -1 1 458.529 2.747 20 0 JFADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001292962014 1065643632 /nfs/dbraw/zinc/64/36/32/1065643632.db2.gz KLMABADLODUPDO-UHFFFAOYSA-N -1 1 484.498 2.613 20 0 JFADMM COCCN(CCC(=O)OC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC001293222964 1065876665 /nfs/dbraw/zinc/87/66/65/1065876665.db2.gz NHFCPQGUKRTUND-UHFFFAOYSA-N -1 1 452.504 2.587 20 0 JFADMM Cc1ccc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001293246031 1065910724 /nfs/dbraw/zinc/91/07/24/1065910724.db2.gz JLHYXGCDZORDJS-AWEZNQCLSA-N -1 1 458.989 2.954 20 0 JFADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC001293503477 1066027778 /nfs/dbraw/zinc/02/77/78/1066027778.db2.gz GWMFDXVKRPEJHA-HNNXBMFYSA-N -1 1 456.561 2.912 20 0 JFADMM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001293503500 1066028056 /nfs/dbraw/zinc/02/80/56/1066028056.db2.gz HJSUQVCUIWNFMV-KRWDZBQOSA-N -1 1 452.598 2.999 20 0 JFADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001293568042 1066080510 /nfs/dbraw/zinc/08/05/10/1066080510.db2.gz CNOWCLZGPBQZLT-UHFFFAOYSA-N -1 1 456.528 2.596 20 0 JFADMM CN(Cc1cn[nH]c1)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC001293589506 1066097031 /nfs/dbraw/zinc/09/70/31/1066097031.db2.gz IDHQXOARPIQRKQ-UHFFFAOYSA-N -1 1 455.471 2.876 20 0 JFADMM COC(=O)C[C@H]1CSCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001293932136 1066411518 /nfs/dbraw/zinc/41/15/18/1066411518.db2.gz GKGXRDJDUKWBJR-KRWDZBQOSA-N -1 1 452.529 2.747 20 0 JFADMM C[C@@H]1CN(C)[C@@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001164642638 719235493 /nfs/dbraw/zinc/23/54/93/719235493.db2.gz XDMZGAAKDQURHY-JKSUJKDBSA-N -1 1 469.567 2.731 20 0 JFADMM CN1CCO[C@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3cccc(Cl)c3)C[C@H]21 ZINC001164666869 719442195 /nfs/dbraw/zinc/44/21/95/719442195.db2.gz DQWMECYJIWTRAP-MOPGFXCFSA-N -1 1 459.959 2.603 20 0 JFADMM C[C@@H]1C(=O)NCCN1C(F)(F)c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Cl)c1 ZINC001165039108 721883804 /nfs/dbraw/zinc/88/38/04/721883804.db2.gz XHDPOCYVQDOKOX-GFCCVEGCSA-N -1 1 481.912 2.954 20 0 JFADMM C[C@@H]1CCN(C(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001289866120 1061548484 /nfs/dbraw/zinc/54/84/84/1061548484.db2.gz HNHUIANWAMMOFK-NFAWXSAZSA-N -1 1 455.506 2.823 20 0 JFADMM C[C@@H]1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001289871301 1061554678 /nfs/dbraw/zinc/55/46/78/1061554678.db2.gz RCQNNHJBNDCQDA-DOMZBBRYSA-N -1 1 456.392 2.887 20 0 JFADMM C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CCC(=O)N1 ZINC001290040783 1061756621 /nfs/dbraw/zinc/75/66/21/1061756621.db2.gz QFMYTCXXNATQPY-SFHVURJKSA-N -1 1 452.330 2.857 20 0 JFADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 ZINC001290046396 1061764707 /nfs/dbraw/zinc/76/47/07/1061764707.db2.gz PVWHYVSFRFQYCM-UHFFFAOYSA-N -1 1 457.335 2.967 20 0 JFADMM CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001294286596 1061774862 /nfs/dbraw/zinc/77/48/62/1061774862.db2.gz GVZVUXUCCJFRAC-UHFFFAOYSA-N -1 1 472.537 2.965 20 0 JFADMM CN(Cc1nccs1)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC001294454638 1062000730 /nfs/dbraw/zinc/00/07/30/1062000730.db2.gz GHBWWHBWGNJNFZ-MRXNPFEDSA-N -1 1 457.581 2.838 20 0 JFADMM CC(C)(C)n1ncnc1Cn1c(CC2CC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001287044016 1062017548 /nfs/dbraw/zinc/01/75/48/1062017548.db2.gz FRLSQXNQKLOQHZ-UHFFFAOYSA-N -1 1 468.528 2.520 20 0 JFADMM CC(C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001287100315 1062309433 /nfs/dbraw/zinc/30/94/33/1062309433.db2.gz ITSYSXYJMHOOBU-UHFFFAOYSA-N -1 1 478.519 2.947 20 0 JFADMM COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001294740839 1062325560 /nfs/dbraw/zinc/32/55/60/1062325560.db2.gz LYCOXLATZDOGJW-OXJNMPFZSA-N -1 1 459.568 2.758 20 0 JFADMM COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001294740839 1062325579 /nfs/dbraw/zinc/32/55/79/1062325579.db2.gz LYCOXLATZDOGJW-OXJNMPFZSA-N -1 1 459.568 2.758 20 0 JFADMM COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC001294740841 1062326031 /nfs/dbraw/zinc/32/60/31/1062326031.db2.gz LYCOXLATZDOGJW-UZLBHIALSA-N -1 1 459.568 2.758 20 0 JFADMM COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001294740841 1062326058 /nfs/dbraw/zinc/32/60/58/1062326058.db2.gz LYCOXLATZDOGJW-UZLBHIALSA-N -1 1 459.568 2.758 20 0 JFADMM O=C(Nc1ccc([O-])c(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1)OCC(F)(F)F ZINC001290540906 1062340442 /nfs/dbraw/zinc/34/04/42/1062340442.db2.gz ZIKLXHNEXARRRN-UHFFFAOYSA-N -1 1 458.437 2.867 20 0 JFADMM Cc1nnc(CCn2c(Cc3ccccn3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC001290692188 1062613424 /nfs/dbraw/zinc/61/34/24/1062613424.db2.gz MIYVYZQORAZSKX-UHFFFAOYSA-N -1 1 494.547 2.561 20 0 JFADMM Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001290794195 1062701107 /nfs/dbraw/zinc/70/11/07/1062701107.db2.gz YKDSGEPZIYFDCD-QGZVFWFLSA-N -1 1 486.564 2.616 20 0 JFADMM Cc1nn(CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ncccc12 ZINC001294941982 1062728657 /nfs/dbraw/zinc/72/86/57/1062728657.db2.gz AYHZTMRSZKNYMX-UHFFFAOYSA-N -1 1 453.499 2.996 20 0 JFADMM CCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn1 ZINC001294960521 1062743001 /nfs/dbraw/zinc/74/30/01/1062743001.db2.gz RYZMQTJAKKTHIU-GOSISDBHSA-N -1 1 496.534 2.909 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CCS(C)(=O)=O)C3CC3)cc2)c1C ZINC001295141895 1062960085 /nfs/dbraw/zinc/96/00/85/1062960085.db2.gz GLORNSOWKAEGDE-UHFFFAOYSA-N -1 1 450.582 2.753 20 0 JFADMM C[C@@H](CO[N-]C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)NC(=O)OC(C)(C)C ZINC001295155846 1062978188 /nfs/dbraw/zinc/97/81/88/1062978188.db2.gz XAXJDRKLXBAYIV-LSDHHAIUSA-N -1 1 455.939 2.528 20 0 JFADMM CCOCCO[C@H]1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001295445488 1063449693 /nfs/dbraw/zinc/44/96/93/1063449693.db2.gz QYALACQERHVRBO-FQEVSTJZSA-N -1 1 450.532 2.823 20 0 JFADMM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(I)cc1[O-] ZINC001295455264 1063459796 /nfs/dbraw/zinc/45/97/96/1063459796.db2.gz VJVWGTRLKRJWFT-ZDUSSCGKSA-N -1 1 459.305 2.979 20 0 JFADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)c1 ZINC001295506012 1063542936 /nfs/dbraw/zinc/54/29/36/1063542936.db2.gz XRIHHOXPPUIQIA-UHFFFAOYSA-N -1 1 459.499 2.965 20 0 JFADMM COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C[C@H]1C ZINC001295741227 1063748909 /nfs/dbraw/zinc/74/89/09/1063748909.db2.gz YEADVSNRAVCOSJ-GOSISDBHSA-N -1 1 459.568 2.505 20 0 JFADMM CCc1nn(C)cc1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC001295804369 1063794309 /nfs/dbraw/zinc/79/43/09/1063794309.db2.gz RWDHZPXEIKPPJT-GOSISDBHSA-N -1 1 454.556 2.657 20 0 JFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCO)cc2)cc1 ZINC001295880223 1063924041 /nfs/dbraw/zinc/92/40/41/1063924041.db2.gz UBKVPEVKXLIVMF-UHFFFAOYSA-N -1 1 453.520 2.770 20 0 JFADMM CC[C@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)OC ZINC001291415236 1063991775 /nfs/dbraw/zinc/99/17/75/1063991775.db2.gz IBQBSNJJRFFSEI-YOEHRIQHSA-N -1 1 469.512 2.691 20 0 JFADMM 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CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287197708 1062631858 /nfs/dbraw/zinc/63/18/58/1062631858.db2.gz DDCIWNDTNZDMFL-UHFFFAOYSA-N -1 1 496.534 2.822 20 0 JFADMM COCCOc1cncc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC001294942764 1062728616 /nfs/dbraw/zinc/72/86/16/1062728616.db2.gz JXYDFUXAHBKKOT-UHFFFAOYSA-N -1 1 459.499 2.977 20 0 JFADMM Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)c3cc(C)cc(C=O)c3[O-])CC2)c1 ZINC001290841331 1062729660 /nfs/dbraw/zinc/72/96/60/1062729660.db2.gz HVVFJQNGGXIXJV-UHFFFAOYSA-N -1 1 453.520 2.516 20 0 JFADMM Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001290891248 1062769166 /nfs/dbraw/zinc/76/91/66/1062769166.db2.gz IZMOUNJDFRGGBD-UHFFFAOYSA-N -1 1 453.524 2.675 20 0 JFADMM Cc1noc(CCCn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC001290955239 1062831413 /nfs/dbraw/zinc/83/14/13/1062831413.db2.gz IZCSBJSEULTHPY-INIZCTEOSA-N -1 1 485.511 2.739 20 0 JFADMM CC(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001287414283 1062853696 /nfs/dbraw/zinc/85/36/96/1062853696.db2.gz UWUGNSSAGVIAGM-AWEZNQCLSA-N -1 1 453.456 2.796 20 0 JFADMM C[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)CCO1 ZINC001295096119 1062928664 /nfs/dbraw/zinc/92/86/64/1062928664.db2.gz CKIDQFCBPWKOSE-LZQZEXGQSA-N -1 1 458.584 2.796 20 0 JFADMM CCC1(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)CCOCC1 ZINC001295098101 1062929744 /nfs/dbraw/zinc/92/97/44/1062929744.db2.gz KNNXMZXLBKHOSF-SFHVURJKSA-N -1 1 458.584 2.798 20 0 JFADMM C[C@H](CO[N-]C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)NC(=O)OC(C)(C)C ZINC001295155840 1062977936 /nfs/dbraw/zinc/97/79/36/1062977936.db2.gz XAXJDRKLXBAYIV-CABCVRRESA-N -1 1 455.939 2.528 20 0 JFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc1 ZINC001295328889 1063228003 /nfs/dbraw/zinc/22/80/03/1063228003.db2.gz OLYBXEFXEVKXOT-UHFFFAOYSA-N -1 1 456.568 2.816 20 0 JFADMM CCCOc1c(Br)cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1OC ZINC001295508038 1063543578 /nfs/dbraw/zinc/54/35/78/1063543578.db2.gz CPSBJRKAAXMBEF-UHFFFAOYSA-N -1 1 459.318 2.852 20 0 JFADMM O=C(c1cccc(I)c1[O-])N1CCC(CCCN2CCOCC2)CC1 ZINC001295515605 1063549634 /nfs/dbraw/zinc/54/96/34/1063549634.db2.gz YUWSHLKOOJFRIY-UHFFFAOYSA-N -1 1 458.340 2.961 20 0 JFADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC001295530011 1063567181 /nfs/dbraw/zinc/56/71/81/1063567181.db2.gz LMRJXWHULLXVEN-NRFANRHFSA-N -1 1 453.495 2.940 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3(c4ncon4)CCOCC3)ccc2C)c1 ZINC001295556794 1063590334 /nfs/dbraw/zinc/59/03/34/1063590334.db2.gz IBQQWPXPKVMJBX-UHFFFAOYSA-N -1 1 456.524 2.923 20 0 JFADMM CC(C)[C@@H]1CN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)CCO1 ZINC001295641409 1063683840 /nfs/dbraw/zinc/68/38/40/1063683840.db2.gz LPBCZOASUHWUBA-RBUKOAKNSA-N -1 1 458.584 2.606 20 0 JFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 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/nfs/dbraw/zinc/25/43/11/1066254311.db2.gz CMWJRGZLZHZLNT-FQEVSTJZSA-N -1 1 453.568 2.846 20 0 JFADMM CCC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1)OC ZINC001293978470 1066480465 /nfs/dbraw/zinc/48/04/65/1066480465.db2.gz SNLNSEWGRAREFB-TZIWHRDSSA-N -1 1 490.626 2.800 20 0 JFADMM C[C@@H]1CN(c2nc3cc4c(cc3nc2[N-]S(=O)(=O)c2ccccc2)OCCO4)[C@H](C)CN1C ZINC001164634286 719234449 /nfs/dbraw/zinc/23/44/49/719234449.db2.gz GODJHFMCSCGJCJ-HZPDHXFCSA-N -1 1 469.567 2.731 20 0 JFADMM O=C(NCCCn1cc(Br)cn1)c1ccc(I)c([O-])c1 ZINC000380445309 1059485772 /nfs/dbraw/zinc/48/57/72/1059485772.db2.gz CVSCQNHPQFCTSU-UHFFFAOYSA-N -1 1 450.074 2.776 20 0 JFADMM CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC001263974164 1059503943 /nfs/dbraw/zinc/50/39/43/1059503943.db2.gz PIEGKEGRSKZZFQ-HNNXBMFYSA-N -1 1 451.495 2.706 20 0 JFADMM CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC001263974166 1059504498 /nfs/dbraw/zinc/50/44/98/1059504498.db2.gz PIEGKEGRSKZZFQ-OAHLLOKOSA-N -1 1 451.495 2.706 20 0 JFADMM CSc1cnn(-c2ccccc2)c1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001265955890 1059950518 /nfs/dbraw/zinc/95/05/18/1059950518.db2.gz QKZVYCTZHBPMPJ-UHFFFAOYSA-N -1 1 454.556 2.806 20 0 JFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)cc2)cc1C ZINC001294325417 1061833606 /nfs/dbraw/zinc/83/36/06/1061833606.db2.gz SHLAAWLUEWOWBS-OAQYLSRUSA-N -1 1 459.568 2.505 20 0 JFADMM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001290142935 1061877328 /nfs/dbraw/zinc/87/73/28/1061877328.db2.gz ODNHEOQIRDWCOM-KRWDZBQOSA-N -1 1 459.977 2.653 20 0 JFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001290202923 1061945803 /nfs/dbraw/zinc/94/58/03/1061945803.db2.gz NYYNHSFLSLMIMT-UHFFFAOYSA-N -1 1 452.964 2.588 20 0 JFADMM CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001294463588 1062013756 /nfs/dbraw/zinc/01/37/56/1062013756.db2.gz WBXDLIARPKZJJC-CYBMUJFWSA-N -1 1 457.474 2.960 20 0 JFADMM Cc1nc(Cc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@@H]2CCCO2)cs1 ZINC001290417693 1062147525 /nfs/dbraw/zinc/14/75/25/1062147525.db2.gz ONYDKDGUEAIKTA-INIZCTEOSA-N -1 1 472.537 2.708 20 0 JFADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC001294677276 1062238390 /nfs/dbraw/zinc/23/83/90/1062238390.db2.gz FRAQHDXHZJQANS-UHFFFAOYSA-N -1 1 456.300 2.866 20 0 JFADMM CC(C)(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001287082636 1062241262 /nfs/dbraw/zinc/24/12/62/1062241262.db2.gz IYNPGGFMZAKGBE-UHFFFAOYSA-N -1 1 498.609 2.753 20 0 JFADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001290667136 1062577182 /nfs/dbraw/zinc/57/71/82/1062577182.db2.gz BHACVTDWFMMZFA-UHFFFAOYSA-N -1 1 457.335 2.967 20 0 JFADMM Cc1cc(C)n(CCCn2c([C@H]3CCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC001290673792 1062583891 /nfs/dbraw/zinc/58/38/91/1062583891.db2.gz ZWQRBQCDXFVKQA-GOSISDBHSA-N -1 1 483.539 2.928 20 0 JFADMM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(I)ccc1[O-] ZINC001290699087 1062632593 /nfs/dbraw/zinc/63/25/93/1062632593.db2.gz HQFIZZPZOYDYES-KRWDZBQOSA-N -1 1 452.292 2.800 20 0 JFADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc(-n2cnnn2)c1 ZINC001294944314 1062729349 /nfs/dbraw/zinc/72/93/49/1062729349.db2.gz APJUOOVJKWBWDO-UHFFFAOYSA-N -1 1 452.471 2.532 20 0 JFADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cnc(Br)c(Br)c3)nc2n1 ZINC001287288615 1062763537 /nfs/dbraw/zinc/76/35/37/1062763537.db2.gz GCHPJIKESOSCSZ-UHFFFAOYSA-N -1 1 456.098 2.542 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)cc2)cc1 ZINC001294995901 1062782406 /nfs/dbraw/zinc/78/24/06/1062782406.db2.gz WBQOEPGDSOWRCA-LEWJYISDSA-N -1 1 455.536 2.573 20 0 JFADMM O=C(NCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)c1cccnc1 ZINC001290926106 1062801846 /nfs/dbraw/zinc/80/18/46/1062801846.db2.gz MIZBEDVVXCGSQL-UHFFFAOYSA-N -1 1 458.927 2.696 20 0 JFADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)CCO1 ZINC001295096121 1062928502 /nfs/dbraw/zinc/92/85/02/1062928502.db2.gz CKIDQFCBPWKOSE-MNEFBYGVSA-N -1 1 458.584 2.796 20 0 JFADMM CCN(CCS(C)(=O)=O)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC001295172451 1062995869 /nfs/dbraw/zinc/99/58/69/1062995869.db2.gz BGKAQAOBEIGZRR-UHFFFAOYSA-N -1 1 458.989 2.956 20 0 JFADMM O=C(CN(Cc1cccnc1)c1ccccc1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001295519680 1063555951 /nfs/dbraw/zinc/55/59/51/1063555951.db2.gz KPYBLTNRNPLRMA-UHFFFAOYSA-N -1 1 452.536 2.873 20 0 JFADMM CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])C1 ZINC001295523680 1063560483 /nfs/dbraw/zinc/56/04/83/1063560483.db2.gz ATHPQRZDBWVCMP-OAQYLSRUSA-N -1 1 453.561 2.809 20 0 JFADMM COc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(OC)c1OC ZINC001295601647 1063646591 /nfs/dbraw/zinc/64/65/91/1063646591.db2.gz VJGPMZKEGTZTDU-UHFFFAOYSA-N -1 1 454.476 2.825 20 0 JFADMM CCn1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn1 ZINC001295928766 1063983366 /nfs/dbraw/zinc/98/33/66/1063983366.db2.gz SOHPUMNMYZKGGS-QGZVFWFLSA-N -1 1 469.512 2.679 20 0 JFADMM Cc1nn(-c2ccccn2)c(C)c1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001295970519 1064017369 /nfs/dbraw/zinc/01/73/69/1064017369.db2.gz ILMIARXCFLMURR-UHFFFAOYSA-N -1 1 455.540 2.555 20 0 JFADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001295970989 1064017822 /nfs/dbraw/zinc/01/78/22/1064017822.db2.gz OUYFCYSJNGCJKN-HXUWFJFHSA-N -1 1 457.552 2.810 20 0 JFADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001291585579 1064118933 /nfs/dbraw/zinc/11/89/33/1064118933.db2.gz LLZGDRYZLXPBFA-OKILXGFUSA-N -1 1 452.490 2.882 20 0 JFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)cc2)ccc1F ZINC001296068280 1064133752 /nfs/dbraw/zinc/13/37/52/1064133752.db2.gz JUPXZOLUYLBTTH-GOSISDBHSA-N -1 1 454.545 2.584 20 0 JFADMM CCOc1ccc(-c2cn(C3CN(C(=O)CCc4c(C)nc(SC)[n-]c4=O)C3)nn2)cc1 ZINC001296098293 1064171249 /nfs/dbraw/zinc/17/12/49/1064171249.db2.gz JDQBHTIKBWIGPQ-UHFFFAOYSA-N -1 1 454.556 2.886 20 0 JFADMM CC(=O)N[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1c(F)cccc1F ZINC001296142384 1064249485 /nfs/dbraw/zinc/24/94/85/1064249485.db2.gz RCPHHWPVTNVZNT-CRAIPNDOSA-N -1 1 452.824 2.744 20 0 JFADMM C[C@@]1(CO)CCCN1C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC001296178890 1064307135 /nfs/dbraw/zinc/30/71/35/1064307135.db2.gz JHUXTTNBUDTWMN-QFIPXVFZSA-N -1 1 459.499 2.867 20 0 JFADMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)N(C)C ZINC001296202495 1064377854 /nfs/dbraw/zinc/37/78/54/1064377854.db2.gz NBLGWLKXYNTJGM-LBPRGKRZSA-N -1 1 458.367 2.930 20 0 JFADMM NC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)n1 ZINC001291980799 1064595481 /nfs/dbraw/zinc/59/54/81/1064595481.db2.gz CPESYJVKOOMIGZ-UHFFFAOYSA-N -1 1 450.929 2.877 20 0 JFADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCOc1ncccc1Cl ZINC001292961233 1065641204 /nfs/dbraw/zinc/64/12/04/1065641204.db2.gz BSOIBSXTXWJMRL-UHFFFAOYSA-N -1 1 460.888 2.863 20 0 JFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cnc(N(C)C)n3C)cc2)cc1 ZINC001292993448 1065680906 /nfs/dbraw/zinc/68/09/06/1065680906.db2.gz MPZBTOKIEOMGGE-UHFFFAOYSA-N -1 1 457.556 2.616 20 0 JFADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC001293165647 1065799618 /nfs/dbraw/zinc/79/96/18/1065799618.db2.gz SFIMQVWATQACGY-SNVBAGLBSA-N -1 1 458.325 2.917 20 0 JFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC001293324708 1065949507 /nfs/dbraw/zinc/94/95/07/1065949507.db2.gz JURXPODFNNOGKW-UHFFFAOYSA-N -1 1 450.543 2.632 20 0 JFADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)[C@@H](C)CS(=O)(=O)CC ZINC001293504202 1066028098 /nfs/dbraw/zinc/02/80/98/1066028098.db2.gz UQSXQGPWTJAIKS-HNNXBMFYSA-N -1 1 456.561 2.912 20 0 JFADMM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001293503501 1066028191 /nfs/dbraw/zinc/02/81/91/1066028191.db2.gz HJSUQVCUIWNFMV-QGZVFWFLSA-N -1 1 452.598 2.999 20 0 JFADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(CSCc3ccccc3)c2)o1 ZINC001293532884 1066052181 /nfs/dbraw/zinc/05/21/81/1066052181.db2.gz NBOGLSMFBDEXQY-UHFFFAOYSA-N -1 1 459.549 2.729 20 0 JFADMM NC(=O)[C@H](CNC(=O)c1ccc(I)c([O-])c1)Cc1ccccc1Cl ZINC001293586220 1066094522 /nfs/dbraw/zinc/09/45/22/1066094522.db2.gz FSTMXXCRKIYFQE-LBPRGKRZSA-N -1 1 458.683 2.724 20 0 JFADMM C[C@@H]1CN(c2nc3cc4c(cc3nc2[N-]S(=O)(=O)c2ccccc2)OCCO4)[C@@H](C)CN1C ZINC001164634274 719235087 /nfs/dbraw/zinc/23/50/87/719235087.db2.gz GODJHFMCSCGJCJ-CVEARBPZSA-N -1 1 469.567 2.731 20 0 JFADMM O=S(=O)([N-]c1cccc(F)c1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871053 721166143 /nfs/dbraw/zinc/16/61/43/721166143.db2.gz DBAZUSOWXDOFOI-VXKWHMMOSA-N -1 1 483.569 2.896 20 0 JFADMM CC[C@@H](OC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)C(=O)OC ZINC001263382979 1059482373 /nfs/dbraw/zinc/48/23/73/1059482373.db2.gz LAJQVSPQRYRERW-IAGOWNOFSA-N -1 1 461.540 2.608 20 0 JFADMM Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC001289676664 1061293200 /nfs/dbraw/zinc/29/32/00/1061293200.db2.gz IVEMBIHJPYSXOY-GOSISDBHSA-N -1 1 478.519 2.789 20 0 JFADMM Cc1cccc(-c2nnc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)n2CCOCCCO)n1 ZINC001289943451 1061636043 /nfs/dbraw/zinc/63/60/43/1061636043.db2.gz ZRUIARKMNMAYOA-UHFFFAOYSA-N -1 1 465.554 2.852 20 0 JFADMM C[C@]1(CCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CCC(=O)N1 ZINC001290039356 1061755575 /nfs/dbraw/zinc/75/55/75/1061755575.db2.gz CKYRTQMLGFOPQO-QFIPXVFZSA-N -1 1 459.524 2.646 20 0 JFADMM CC(C)(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 ZINC001286998817 1061912365 /nfs/dbraw/zinc/91/23/65/1061912365.db2.gz FKKLSKUKWIBECF-KKSFZXQISA-N -1 1 473.540 2.809 20 0 JFADMM CC(C)(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@]1(O)CCSC1 ZINC001287023752 1061965608 /nfs/dbraw/zinc/96/56/08/1061965608.db2.gz GFAONWQABYJRKK-LJQANCHMSA-N -1 1 463.570 2.630 20 0 JFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3cnn(C)c3)CC2)c1 ZINC001294397018 1061967366 /nfs/dbraw/zinc/96/73/66/1061967366.db2.gz QNTOTZVLTXMZKD-UHFFFAOYSA-N -1 1 453.568 2.800 20 0 JFADMM COC(=O)C[C@H](C)N1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC001294503143 1062038658 /nfs/dbraw/zinc/03/86/58/1062038658.db2.gz UPTMSUJNLZYBDY-SFHVURJKSA-N -1 1 459.568 2.505 20 0 JFADMM Cc1cscc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290359769 1062068612 /nfs/dbraw/zinc/06/86/12/1062068612.db2.gz MUNPJKOUXJMUCM-OAHLLOKOSA-N -1 1 470.521 2.542 20 0 JFADMM O=C(NCCNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001294833531 1062522509 /nfs/dbraw/zinc/52/25/09/1062522509.db2.gz VETFVCVNTWLQDQ-UHFFFAOYSA-N -1 1 459.474 2.925 20 0 JFADMM Cc1cccc([C@H](O)CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1 ZINC001294885239 1062601211 /nfs/dbraw/zinc/60/12/11/1062601211.db2.gz PUIRZTOCWXFSAW-HXUWFJFHSA-N -1 1 454.504 2.988 20 0 JFADMM Cc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001290943462 1062817100 /nfs/dbraw/zinc/81/71/00/1062817100.db2.gz SPKYNHCAHWMRLJ-PKTZIBPZSA-N -1 1 480.546 2.728 20 0 JFADMM Cc1cc(Cn2c(Cc3cccnc3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)on1 ZINC001290965732 1062840787 /nfs/dbraw/zinc/84/07/87/1062840787.db2.gz IENIFABTZZWBLN-UHFFFAOYSA-N -1 1 463.464 2.504 20 0 JFADMM C[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)CCO1 ZINC001295096115 1062928310 /nfs/dbraw/zinc/92/83/10/1062928310.db2.gz CKIDQFCBPWKOSE-ATZDWAIDSA-N -1 1 458.584 2.796 20 0 JFADMM COC[C@H](C)N(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)[C@@H]1CCc2ccccc21 ZINC001287478077 1062935112 /nfs/dbraw/zinc/93/51/12/1062935112.db2.gz FSQKVGFDYBIJQQ-HTAPYJJXSA-N -1 1 454.571 2.811 20 0 JFADMM COC[C@H](C)N(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)[C@H]1CCc2ccccc21 ZINC001287478078 1062935806 /nfs/dbraw/zinc/93/58/06/1062935806.db2.gz FSQKVGFDYBIJQQ-JTSKRJEESA-N -1 1 454.571 2.811 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(CCS(C)(=O)=O)C3CC3)ccc2C)c1 ZINC001295143934 1062961988 /nfs/dbraw/zinc/96/19/88/1062961988.db2.gz VOYVCDORPCUSGC-UHFFFAOYSA-N -1 1 450.582 2.753 20 0 JFADMM C[C@H]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001291052796 1062985354 /nfs/dbraw/zinc/98/53/54/1062985354.db2.gz YFLPZLULJYPBNC-DOTOQJQBSA-N -1 1 470.540 2.845 20 0 JFADMM CCCc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nnn1Cc1cccc(Br)c1 ZINC001295412530 1063410155 /nfs/dbraw/zinc/41/01/55/1063410155.db2.gz ZPUUMWOWHBJKME-CQSZACIVSA-N -1 1 459.352 2.574 20 0 JFADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC001295508074 1063543707 /nfs/dbraw/zinc/54/37/07/1063543707.db2.gz DGYISOBJWLGDFS-UHFFFAOYSA-N -1 1 452.492 2.607 20 0 JFADMM COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC001295600754 1063645976 /nfs/dbraw/zinc/64/59/76/1063645976.db2.gz HCNYJJYWLALJEQ-UHFFFAOYSA-N -1 1 451.505 2.517 20 0 JFADMM Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001295638633 1063681441 /nfs/dbraw/zinc/68/14/41/1063681441.db2.gz JVDDZUVMYLHWEL-AWEZNQCLSA-N -1 1 456.337 2.917 20 0 JFADMM COc1cc(C(=O)NCC(=O)Nc2cc(C)cc(Br)c2[O-])cc(OC)c1OC ZINC001295638793 1063681483 /nfs/dbraw/zinc/68/14/83/1063681483.db2.gz LGDGFZZMSZZBNT-UHFFFAOYSA-N -1 1 453.289 2.857 20 0 JFADMM CC(C)[C@H]1CN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)CCO1 ZINC001295641407 1063683857 /nfs/dbraw/zinc/68/38/57/1063683857.db2.gz LPBCZOASUHWUBA-MOPGFXCFSA-N -1 1 458.584 2.606 20 0 JFADMM Cc1nc([C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c2ccc(Cl)cc2)no1 ZINC001295768714 1063778321 /nfs/dbraw/zinc/77/83/21/1063778321.db2.gz VTDZZXFMRXNQFM-IBGZPJMESA-N -1 1 450.886 2.933 20 0 JFADMM CC[C@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291403091 1063967260 /nfs/dbraw/zinc/96/72/60/1063967260.db2.gz GIWSZDBDMQTQSW-OYHNWAKOSA-N -1 1 499.582 2.832 20 0 JFADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cccc(CNc2ccncn2)c1 ZINC001295970268 1064017018 /nfs/dbraw/zinc/01/70/18/1064017018.db2.gz AVNIQZQAFFSAEV-UHFFFAOYSA-N -1 1 453.524 2.831 20 0 JFADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccc(Oc2ccccc2)cn1 ZINC001295970727 1064017333 /nfs/dbraw/zinc/01/73/33/1064017333.db2.gz KXDHAXRMVLYLBL-UHFFFAOYSA-N -1 1 455.492 2.853 20 0 JFADMM CC[C@@H](C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291482162 1064036628 /nfs/dbraw/zinc/03/66/28/1064036628.db2.gz JLBHLSZNCWTJSK-QGZVFWFLSA-N -1 1 490.626 2.536 20 0 JFADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001291585580 1064118955 /nfs/dbraw/zinc/11/89/55/1064118955.db2.gz LLZGDRYZLXPBFA-ZIAGYGMSSA-N -1 1 452.490 2.882 20 0 JFADMM CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC001296141887 1064247660 /nfs/dbraw/zinc/24/76/60/1064247660.db2.gz NDFKVRLYYCCAOQ-FZKQIMNGSA-N -1 1 451.934 2.666 20 0 JFADMM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC001296141889 1064247969 /nfs/dbraw/zinc/24/79/69/1064247969.db2.gz NDFKVRLYYCCAOQ-SCLBCKFNSA-N -1 1 451.934 2.666 20 0 JFADMM CC(=O)N[C@@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1c(F)cccc1F ZINC001296142387 1064249662 /nfs/dbraw/zinc/24/96/62/1064249662.db2.gz RCPHHWPVTNVZNT-YJBOKZPZSA-N -1 1 452.824 2.744 20 0 JFADMM CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001291822359 1064364028 /nfs/dbraw/zinc/36/40/28/1064364028.db2.gz HZYCMNOLZVZILQ-SFHVURJKSA-N -1 1 496.612 2.510 20 0 JFADMM C[C@]1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)Oc2ccccc2NC1=O ZINC001292650267 1065387536 /nfs/dbraw/zinc/38/75/36/1065387536.db2.gz IZBOIGFXRPAWST-HSZRJFAPSA-N -1 1 451.504 2.893 20 0 JFADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001292960937 1065640515 /nfs/dbraw/zinc/64/05/15/1065640515.db2.gz NSRFNVSHKJKHLL-AWEZNQCLSA-N -1 1 476.544 2.896 20 0 JFADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC001293163679 1065799357 /nfs/dbraw/zinc/79/93/57/1065799357.db2.gz GCJHUYXKWMZIJN-INIZCTEOSA-N -1 1 453.572 2.792 20 0 JFADMM CCc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)[nH]n1 ZINC001293270793 1065928190 /nfs/dbraw/zinc/92/81/90/1065928190.db2.gz SMJWGTVPEHMFOH-UHFFFAOYSA-N -1 1 456.524 2.864 20 0 JFADMM CCc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)n[nH]1 ZINC001293270793 1065928199 /nfs/dbraw/zinc/92/81/99/1065928199.db2.gz SMJWGTVPEHMFOH-UHFFFAOYSA-N -1 1 456.524 2.864 20 0 JFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc2)cc1C ZINC001293384908 1065986561 /nfs/dbraw/zinc/98/65/61/1065986561.db2.gz YJSZUNAKHSLBCY-IRXDYDNUSA-N -1 1 452.598 2.998 20 0 JFADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)[C@@H](C)CS(C)(=O)=O ZINC001293454892 1066011871 /nfs/dbraw/zinc/01/18/71/1066011871.db2.gz ZKLVHDXJMSGICT-HNNXBMFYSA-N -1 1 456.561 2.830 20 0 JFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)cc1 ZINC000015516930 563011564 /nfs/dbraw/zinc/01/15/64/563011564.db2.gz LKMJXZNWFNLQHF-UHFFFAOYSA-N -1 1 461.584 2.727 20 0 JFADMM C[C@@H]1CN(C)[C@@H](C)CN1c1nc2cc3c(cc2nc1[N-]S(=O)(=O)c1ccccc1)OCCO3 ZINC001164634293 719234796 /nfs/dbraw/zinc/23/47/96/719234796.db2.gz GODJHFMCSCGJCJ-JKSUJKDBSA-N -1 1 469.567 2.731 20 0 JFADMM C[C@H]1CN(c2nc3cc4c(cc3nc2[N-]S(=O)(=O)c2ccccc2)OCCO4)[C@@H](C)CN1C ZINC001164634280 719234906 /nfs/dbraw/zinc/23/49/06/719234906.db2.gz GODJHFMCSCGJCJ-HOTGVXAUSA-N -1 1 469.567 2.731 20 0 JFADMM C[C@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)CN1C ZINC001164642634 719235814 /nfs/dbraw/zinc/23/58/14/719235814.db2.gz XDMZGAAKDQURHY-HOTGVXAUSA-N -1 1 469.567 2.731 20 0 JFADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC001164631786 719236672 /nfs/dbraw/zinc/23/66/72/719236672.db2.gz FZBXMQJIYAWMKJ-HOTGVXAUSA-N -1 1 468.583 2.918 20 0 JFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)o1 ZINC001280448855 1060006697 /nfs/dbraw/zinc/00/66/97/1060006697.db2.gz YMCGEDOXJISPFM-UHFFFAOYSA-N -1 1 454.549 2.882 20 0 JFADMM O=C(Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(C(=O)N2CCCC2)n1 ZINC001280502034 1060009046 /nfs/dbraw/zinc/00/90/46/1060009046.db2.gz YJSBCLSJJRAKIC-UHFFFAOYSA-N -1 1 459.915 2.779 20 0 JFADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(F)(F)C1(O)CCC1 ZINC001290039876 1061755648 /nfs/dbraw/zinc/75/56/48/1061755648.db2.gz VFDWVYPSWVMPRJ-UHFFFAOYSA-N -1 1 454.451 2.747 20 0 JFADMM O=C(CO[C@H]1CCOC1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001290039922 1061755717 /nfs/dbraw/zinc/75/57/17/1061755717.db2.gz WZLONSWXNPZFQC-INIZCTEOSA-N -1 1 455.330 2.994 20 0 JFADMM Cc1cccc(OCCn2c(-c3cnn(C)c3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001290079954 1061810615 /nfs/dbraw/zinc/81/06/15/1061810615.db2.gz GUZGPKMPGDLCSK-UHFFFAOYSA-N -1 1 491.518 2.961 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCCCCS(N)(=O)=O)ccc2C)c1 ZINC001290169587 1061912423 /nfs/dbraw/zinc/91/24/23/1061912423.db2.gz QUNURNNOHSWTDP-UHFFFAOYSA-N -1 1 453.586 2.892 20 0 JFADMM CS(=O)(=O)CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC001294435653 1061989811 /nfs/dbraw/zinc/98/98/11/1061989811.db2.gz DTOHIWQQQLHTOK-UHFFFAOYSA-N -1 1 456.973 2.695 20 0 JFADMM CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001294463589 1062013807 /nfs/dbraw/zinc/01/38/07/1062013807.db2.gz WBXDLIARPKZJJC-ZDUSSCGKSA-N -1 1 457.474 2.960 20 0 JFADMM Cc1ccc(C(=O)N2CCC(S(C)(=O)=O)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001294504235 1062039232 /nfs/dbraw/zinc/03/92/32/1062039232.db2.gz CZXGUDQCZVLRNZ-UHFFFAOYSA-N -1 1 454.545 2.584 20 0 JFADMM COc1ccc(-n2cc(CNC(=O)c3cc(I)ccc3[O-])nn2)cc1 ZINC001294640751 1062157406 /nfs/dbraw/zinc/15/74/06/1062157406.db2.gz RSSJBSQFNLNVPB-UHFFFAOYSA-N -1 1 450.236 2.516 20 0 JFADMM Cc1nccnc1CCn1c(C2CCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290530964 1062333412 /nfs/dbraw/zinc/33/34/12/1062333412.db2.gz GOTUVGSPDBNNAW-UHFFFAOYSA-N -1 1 451.497 2.782 20 0 JFADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCS(=O)(=O)c1ccccc1 ZINC001287198241 1062632717 /nfs/dbraw/zinc/63/27/17/1062632717.db2.gz LXAYKSZQGQIGLD-UHFFFAOYSA-N -1 1 487.548 2.770 20 0 JFADMM Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001290792103 1062696314 /nfs/dbraw/zinc/69/63/14/1062696314.db2.gz FXPLFEJXSBPXGE-INIZCTEOSA-N -1 1 474.528 2.881 20 0 JFADMM COCCC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)CC1 ZINC001294932287 1062707635 /nfs/dbraw/zinc/70/76/35/1062707635.db2.gz KMXZCZSDSQYTSL-UHFFFAOYSA-N -1 1 459.568 2.553 20 0 JFADMM CC(C)(C)OC(=O)COCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001294945132 1062729900 /nfs/dbraw/zinc/72/99/00/1062729900.db2.gz LOPZJVVJTYYVGV-UHFFFAOYSA-N -1 1 452.504 2.601 20 0 JFADMM Cc1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001290892008 1062768692 /nfs/dbraw/zinc/76/86/92/1062768692.db2.gz UDIDLEVOOFMRRF-UHFFFAOYSA-N -1 1 459.549 2.624 20 0 JFADMM Cc1ccn(C[C@](C)(O)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(=O)c1 ZINC001290943477 1062817052 /nfs/dbraw/zinc/81/70/52/1062817052.db2.gz SWFLVZZOMHXUKL-QHCPKHFHSA-N -1 1 455.536 2.656 20 0 JFADMM COC(=O)c1ncoc1COCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001290943913 1062817669 /nfs/dbraw/zinc/81/76/69/1062817669.db2.gz VHOPACAJAQUQJL-UHFFFAOYSA-N -1 1 459.480 2.726 20 0 JFADMM Cc1sc(C(N)=O)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC001295063868 1062878851 /nfs/dbraw/zinc/87/88/51/1062878851.db2.gz JXWUGVRPSBUTCV-UHFFFAOYSA-N -1 1 459.505 2.937 20 0 JFADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)CCO1 ZINC001295096117 1062928436 /nfs/dbraw/zinc/92/84/36/1062928436.db2.gz CKIDQFCBPWKOSE-AYOQOUSVSA-N -1 1 458.584 2.796 20 0 JFADMM C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291078520 1063032381 /nfs/dbraw/zinc/03/23/81/1063032381.db2.gz QPWHMTWPHBYSST-JLTOFOAXSA-N -1 1 454.497 2.719 20 0 JFADMM C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291078523 1063032611 /nfs/dbraw/zinc/03/26/11/1063032611.db2.gz QPWHMTWPHBYSST-XOBRGWDASA-N -1 1 454.497 2.719 20 0 JFADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)c1 ZINC001295346624 1063287752 /nfs/dbraw/zinc/28/77/52/1063287752.db2.gz AFLXAZLPEGKDKO-UHFFFAOYSA-N -1 1 452.432 2.700 20 0 JFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3nnc4n3CCCC4)c2)cc1F ZINC001295476519 1063486395 /nfs/dbraw/zinc/48/63/95/1063486395.db2.gz WHUNAYHMOMICTP-UHFFFAOYSA-N -1 1 457.531 2.835 20 0 JFADMM CN1C(=O)CS/C1=C/C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC001295506005 1063542909 /nfs/dbraw/zinc/54/29/09/1063542909.db2.gz XNPSAJNHPZIVDE-GIJQJNRQSA-N -1 1 453.929 2.832 20 0 JFADMM O=C(Cc1cccc(OCc2cccnc2)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001295523983 1063561236 /nfs/dbraw/zinc/56/12/36/1063561236.db2.gz JRYMUQBGAPTXNE-UHFFFAOYSA-N -1 1 453.520 2.988 20 0 JFADMM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001295524177 1063561700 /nfs/dbraw/zinc/56/17/00/1063561700.db2.gz PKDUDTGGQKAUPP-UHFFFAOYSA-N -1 1 452.842 2.649 20 0 JFADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001295600723 1063645937 /nfs/dbraw/zinc/64/59/37/1063645937.db2.gz FWAYURQCSXDALH-FQEVSTJZSA-N -1 1 453.467 2.887 20 0 JFADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001295600724 1063646006 /nfs/dbraw/zinc/64/60/06/1063646006.db2.gz FWAYURQCSXDALH-HXUWFJFHSA-N -1 1 453.467 2.887 20 0 JFADMM Cc1nc([C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c2ccc(Cl)cc2)no1 ZINC001295768715 1063778935 /nfs/dbraw/zinc/77/89/35/1063778935.db2.gz VTDZZXFMRXNQFM-LJQANCHMSA-N -1 1 450.886 2.933 20 0 JFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3nncn3C)cc2)cc1 ZINC001295926190 1063981231 /nfs/dbraw/zinc/98/12/31/1063981231.db2.gz VABTYGMTOWKMPD-HXUWFJFHSA-N -1 1 455.540 2.992 20 0 JFADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCc3nnc(C)n3C3CC3)c([O-])c2)c1 ZINC001295930463 1063984113 /nfs/dbraw/zinc/98/41/13/1063984113.db2.gz NOSUWHMIMHTZEH-UHFFFAOYSA-N -1 1 451.483 2.827 20 0 JFADMM CC[C@@H](C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001291503126 1064054167 /nfs/dbraw/zinc/05/41/67/1064054167.db2.gz SQHDQNOFAIGIFZ-CQSZACIVSA-N -1 1 479.569 2.511 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3CCS(=O)(=O)CC3)c2)c1 ZINC001296014368 1064075973 /nfs/dbraw/zinc/07/59/73/1064075973.db2.gz NFVCTGBVAIJFEO-UHFFFAOYSA-N -1 1 450.582 2.659 20 0 JFADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H](CO)Cc3ccccc3)c([O-])c2)c1 ZINC001296111885 1064192690 /nfs/dbraw/zinc/19/26/90/1064192690.db2.gz VNNCASKZOJYZEZ-LJQANCHMSA-N -1 1 450.491 2.995 20 0 JFADMM CCC(CC)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1C[C@H]1C ZINC001292054913 1064722402 /nfs/dbraw/zinc/72/24/02/1064722402.db2.gz BJWXTOGSFQXVNL-UKRRQHHQSA-N -1 1 458.529 2.747 20 0 JFADMM CCc1ccc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@H]2COCCO2)cc1 ZINC001292500911 1065220686 /nfs/dbraw/zinc/22/06/86/1065220686.db2.gz YUJZIZZOMYBNAY-IBGZPJMESA-N -1 1 481.519 2.818 20 0 JFADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1cccc2c1OCCCO2 ZINC001292960793 1065640537 /nfs/dbraw/zinc/64/05/37/1065640537.db2.gz JVMLSFOGPQEIJT-UHFFFAOYSA-N -1 1 467.492 2.945 20 0 JFADMM Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)cc1 ZINC001293568759 1066080870 /nfs/dbraw/zinc/08/08/70/1066080870.db2.gz NEYJTAHHETZMPB-HXUWFJFHSA-N -1 1 451.531 2.940 20 0 JFADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC001164631787 719236340 /nfs/dbraw/zinc/23/63/40/719236340.db2.gz FZBXMQJIYAWMKJ-HZPDHXFCSA-N -1 1 468.583 2.918 20 0 JFADMM 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CCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cnn1C(CC)CC ZINC001295971065 1064017958 /nfs/dbraw/zinc/01/79/58/1064017958.db2.gz QPWHQDNZFOOKAS-UHFFFAOYSA-N -1 1 450.561 2.785 20 0 JFADMM O=C(NCC1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001296012708 1064073711 /nfs/dbraw/zinc/07/37/11/1064073711.db2.gz BZEZTSWLIGNBCV-UHFFFAOYSA-N -1 1 456.973 2.695 20 0 JFADMM C[C@@H](CN(C)C(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)c1nn[n-]n1 ZINC001296064986 1064131263 /nfs/dbraw/zinc/13/12/63/1064131263.db2.gz UGLNQABHKFVJSF-ZDUSSCGKSA-N -1 1 454.512 2.535 20 0 JFADMM CC(=O)N[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1c(F)cccc1F ZINC001296142385 1064249638 /nfs/dbraw/zinc/24/96/38/1064249638.db2.gz RCPHHWPVTNVZNT-MAUKXSAKSA-N -1 1 452.824 2.744 20 0 JFADMM CC[C@@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001291807086 1064329795 /nfs/dbraw/zinc/32/97/95/1064329795.db2.gz XIZVOJKKNGXDFI-QGZVFWFLSA-N -1 1 479.585 2.788 20 0 JFADMM 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O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCn2cnnc2C1 ZINC001293102369 1065750296 /nfs/dbraw/zinc/75/02/96/1065750296.db2.gz CWABHJSJPRBOQT-UHFFFAOYSA-N -1 1 451.430 2.754 20 0 JFADMM Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)cc1 ZINC001293568674 1066081145 /nfs/dbraw/zinc/08/11/45/1066081145.db2.gz NEYJTAHHETZMPB-FQEVSTJZSA-N -1 1 451.531 2.940 20 0 JFADMM CCCn1cc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)cn1 ZINC001293955751 1066454087 /nfs/dbraw/zinc/45/40/87/1066454087.db2.gz MLRATRSWURQIEE-GOSISDBHSA-N -1 1 454.556 2.968 20 0 JFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cc1F ZINC000003334710 194287622 /nfs/dbraw/zinc/28/76/22/194287622.db2.gz CCVWNYFCBXALHQ-UHFFFAOYSA-N -1 1 463.512 2.835 20 0 JFADMM CN1CCO[C@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC001164666061 719437248 /nfs/dbraw/zinc/43/72/48/719437248.db2.gz AUXOQAFCXCZDNX-OALUTQOASA-N -1 1 459.959 2.603 20 0 JFADMM 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Cc1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n(C)n1 ZINC001290564507 1062366943 /nfs/dbraw/zinc/36/69/43/1062366943.db2.gz JRVOGCNMYKYNGJ-UHFFFAOYSA-N -1 1 465.480 2.832 20 0 JFADMM Cc1cc(C)n(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC001290665767 1062575210 /nfs/dbraw/zinc/57/52/10/1062575210.db2.gz IOMBYMJYMIZZON-LJQANCHMSA-N -1 1 497.566 2.971 20 0 JFADMM CC(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCNC(=O)OC(C)(C)C ZINC001287197913 1062631737 /nfs/dbraw/zinc/63/17/37/1062631737.db2.gz GQAAOOKPSXRGKA-UHFFFAOYSA-N -1 1 462.517 2.821 20 0 JFADMM CCCNC(=O)Cn1c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294915945 1062674882 /nfs/dbraw/zinc/67/48/82/1062674882.db2.gz BZIHGFXJUITMMR-SANMLTNESA-N -1 1 499.612 2.650 20 0 JFADMM Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001290793398 1062699793 /nfs/dbraw/zinc/69/97/93/1062699793.db2.gz USDHIAXBRBPJHW-UHFFFAOYSA-N -1 1 480.413 2.866 20 0 JFADMM CC(C)(C)OC(=O)NOCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001294941876 1062728731 /nfs/dbraw/zinc/72/87/31/1062728731.db2.gz ADUPASUUSONDJF-UHFFFAOYSA-N -1 1 453.492 2.699 20 0 JFADMM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC001294942905 1062729166 /nfs/dbraw/zinc/72/91/66/1062729166.db2.gz NHYGCUQXHPBLGX-QFBILLFUSA-N -1 1 464.515 2.601 20 0 JFADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1coc2c1C(=O)NCCC2 ZINC001294942904 1062729231 /nfs/dbraw/zinc/72/92/31/1062729231.db2.gz NGWGAVXXOFLJCI-UHFFFAOYSA-N -1 1 457.483 2.826 20 0 JFADMM O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001290922402 1062798245 /nfs/dbraw/zinc/79/82/45/1062798245.db2.gz BXLMNZNOBYPIJK-ZDUSSCGKSA-N -1 1 458.508 2.919 20 0 JFADMM CC(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCc1nnc2n1CCCCC2 ZINC001287412783 1062851547 /nfs/dbraw/zinc/85/15/47/1062851547.db2.gz GZZJPDNZANSUFF-UHFFFAOYSA-N -1 1 496.582 2.932 20 0 JFADMM O=C(Nc1cnccc1CO)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC001295081172 1062912827 /nfs/dbraw/zinc/91/28/27/1062912827.db2.gz ODWITHDJAGXPPY-UHFFFAOYSA-N -1 1 455.492 2.788 20 0 JFADMM COC[C@@H](C)N(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)[C@H]1CCc2ccccc21 ZINC001287478080 1062935766 /nfs/dbraw/zinc/93/57/66/1062935766.db2.gz FSQKVGFDYBIJQQ-VGSWGCGISA-N -1 1 454.571 2.811 20 0 JFADMM C[C@@H]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001291052797 1062985306 /nfs/dbraw/zinc/98/53/06/1062985306.db2.gz YFLPZLULJYPBNC-NVXWUHKLSA-N -1 1 470.540 2.845 20 0 JFADMM C[C@@H]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001291052799 1062985398 /nfs/dbraw/zinc/98/53/98/1062985398.db2.gz YFLPZLULJYPBNC-WBVHZDCISA-N -1 1 470.540 2.845 20 0 JFADMM COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC001295292390 1063138958 /nfs/dbraw/zinc/13/89/58/1063138958.db2.gz TXDNEYAPORALJT-UHFFFAOYSA-N -1 1 452.916 2.872 20 0 JFADMM 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CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)o1 ZINC001293659221 1066168176 /nfs/dbraw/zinc/16/81/76/1066168176.db2.gz JLQADSYBNNNWHB-UHFFFAOYSA-N -1 1 456.524 2.934 20 0 JFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3)cc2)cc1C ZINC001293765859 1066254289 /nfs/dbraw/zinc/25/42/89/1066254289.db2.gz CMWJRGZLZHZLNT-HXUWFJFHSA-N -1 1 453.568 2.846 20 0 JFADMM CCC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001293812879 1066321834 /nfs/dbraw/zinc/32/18/34/1066321834.db2.gz MRQIFKCYCXCCCN-FQEVSTJZSA-N -1 1 456.513 2.730 20 0 JFADMM O=C(NCCCOC[C@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001293830631 1066334799 /nfs/dbraw/zinc/33/47/99/1066334799.db2.gz IWCQASUTPVGYTG-OAHLLOKOSA-N -1 1 454.495 2.939 20 0 JFADMM CCCn1cc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)cn1 ZINC001293955752 1066454065 /nfs/dbraw/zinc/45/40/65/1066454065.db2.gz MLRATRSWURQIEE-SFHVURJKSA-N -1 1 454.556 2.968 20 0 JFADMM C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)CN1C ZINC001164642632 719235460 /nfs/dbraw/zinc/23/54/60/719235460.db2.gz XDMZGAAKDQURHY-CVEARBPZSA-N -1 1 469.567 2.731 20 0 JFADMM CCOC(=O)C1=C(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[N-]c2ccccc2N=C1C ZINC001264146315 1059527993 /nfs/dbraw/zinc/52/79/93/1059527993.db2.gz AMVUZEWWDZFSRH-KRWDZBQOSA-N -1 1 458.515 2.731 20 0 JFADMM CSc1nc(C)c(CCC(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)c(=O)[n-]1 ZINC001265140771 1059781235 /nfs/dbraw/zinc/78/12/35/1059781235.db2.gz ZFLZBRKRUFTZSJ-KRWDZBQOSA-N -1 1 458.584 2.592 20 0 JFADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC001265496146 1059872813 /nfs/dbraw/zinc/87/28/13/1059872813.db2.gz WROLYMKOPCUEEC-REWPJTCUSA-N -1 1 454.571 2.852 20 0 JFADMM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001265812336 1059929691 /nfs/dbraw/zinc/92/96/91/1059929691.db2.gz OTCBAMSGDCRSBD-UHFFFAOYSA-N -1 1 457.936 2.777 20 0 JFADMM 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CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)c2)cc1 ZINC001294932244 1062707548 /nfs/dbraw/zinc/70/75/48/1062707548.db2.gz JIHKEGVSALCTMU-TZIWHRDSSA-N -1 1 459.568 2.593 20 0 JFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001290822825 1062717479 /nfs/dbraw/zinc/71/74/79/1062717479.db2.gz JIYOJURFAZJADP-UHFFFAOYSA-N -1 1 450.536 2.510 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)cc1 ZINC001294995911 1062782456 /nfs/dbraw/zinc/78/24/56/1062782456.db2.gz WBQOEPGDSOWRCA-RTWAWAEBSA-N -1 1 455.536 2.573 20 0 JFADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC2(C1)CS(=O)(=O)C2 ZINC001290924341 1062799026 /nfs/dbraw/zinc/79/90/26/1062799026.db2.gz PRPQHHOVVFGQAT-UHFFFAOYSA-N -1 1 456.492 2.529 20 0 JFADMM Cn1cc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)CCC2=O)cn1 ZINC001290933618 1062808654 /nfs/dbraw/zinc/80/86/54/1062808654.db2.gz MJVQWOOUPODTNP-MRXNPFEDSA-N -1 1 453.524 2.603 20 0 JFADMM CC(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001287414284 1062853599 /nfs/dbraw/zinc/85/35/99/1062853599.db2.gz UWUGNSSAGVIAGM-CQSZACIVSA-N -1 1 453.456 2.796 20 0 JFADMM COc1n[nH]c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC001295096947 1062928597 /nfs/dbraw/zinc/92/85/97/1062928597.db2.gz DHGSZSGVCHMCPP-UHFFFAOYSA-N -1 1 452.290 2.629 20 0 JFADMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(I)cc1[O-] ZINC001295099484 1062930743 /nfs/dbraw/zinc/93/07/43/1062930743.db2.gz XQIRHMJNIZOGGE-MRXNPFEDSA-N -1 1 450.276 2.918 20 0 JFADMM C[C@H](CO[N-]C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)NC(=O)OC(C)(C)C ZINC001295155844 1062978057 /nfs/dbraw/zinc/97/80/57/1062978057.db2.gz XAXJDRKLXBAYIV-HUUCEWRRSA-N -1 1 455.939 2.528 20 0 JFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CO)Cc3ccc(O)cc3)cc2)ccc1F ZINC001295510509 1063545400 /nfs/dbraw/zinc/54/54/00/1063545400.db2.gz ZKWFUIAWHQACBK-LJQANCHMSA-N -1 1 458.511 2.974 20 0 JFADMM COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C[C@@H]1C ZINC001295741237 1063749107 /nfs/dbraw/zinc/74/91/07/1063749107.db2.gz YJBZQDGXGFDLMX-SFHVURJKSA-N -1 1 459.568 2.505 20 0 JFADMM CC[C@@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291403092 1063967322 /nfs/dbraw/zinc/96/73/22/1063967322.db2.gz GIWSZDBDMQTQSW-QRQCRPRQSA-N -1 1 499.582 2.832 20 0 JFADMM CC[C@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291403090 1063967369 /nfs/dbraw/zinc/96/73/69/1063967369.db2.gz GIWSZDBDMQTQSW-NYHFZMIOSA-N -1 1 499.582 2.832 20 0 JFADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001295970986 1064017855 /nfs/dbraw/zinc/01/78/55/1064017855.db2.gz OUYFCYSJNGCJKN-FQEVSTJZSA-N -1 1 457.552 2.810 20 0 JFADMM CC[C@@H](C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCCn1cc(CO)nn1 ZINC001291481694 1064036417 /nfs/dbraw/zinc/03/64/17/1064036417.db2.gz ATPSXTLYBWXUTF-QGZVFWFLSA-N -1 1 467.574 2.771 20 0 JFADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cn2ccc(Br)cc2n1 ZINC001296141488 1064247594 /nfs/dbraw/zinc/24/75/94/1064247594.db2.gz KGEQDPIUYZCXMY-CQSZACIVSA-N -1 1 450.659 2.922 20 0 JFADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001296143947 1064253306 /nfs/dbraw/zinc/25/33/06/1064253306.db2.gz XZEYFDIWONEIFU-QGHHPUGFSA-N -1 1 450.808 2.529 20 0 JFADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001296143944 1064253439 /nfs/dbraw/zinc/25/34/39/1064253439.db2.gz XZEYFDIWONEIFU-BMLIUANNSA-N -1 1 450.808 2.529 20 0 JFADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(N2CCOCC2)nc1 ZINC001296158459 1064271734 /nfs/dbraw/zinc/27/17/34/1064271734.db2.gz TWQBWXAWGXONOI-UHFFFAOYSA-N -1 1 452.536 2.996 20 0 JFADMM CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001291807085 1064329710 /nfs/dbraw/zinc/32/97/10/1064329710.db2.gz XIZVOJKKNGXDFI-KRWDZBQOSA-N -1 1 479.585 2.788 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncc(F)cn4)CC3)c2)c1 ZINC001296228260 1064459597 /nfs/dbraw/zinc/45/95/97/1064459597.db2.gz SLQWQXGLFRHEHQ-UHFFFAOYSA-N -1 1 455.515 2.687 20 0 JFADMM C[C@@]1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)Oc2ccccc2NC1=O ZINC001292650268 1065387423 /nfs/dbraw/zinc/38/74/23/1065387423.db2.gz IZBOIGFXRPAWST-QHCPKHFHSA-N -1 1 451.504 2.893 20 0 JFADMM CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001292776764 1065535805 /nfs/dbraw/zinc/53/58/05/1065535805.db2.gz AVJPSBQALOAYAE-UHFFFAOYSA-N -1 1 452.559 2.998 20 0 JFADMM CCc1nnc(Cn2c(C3CCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC001292791230 1065552987 /nfs/dbraw/zinc/55/29/87/1065552987.db2.gz HMNFSAPTBIRERV-UHFFFAOYSA-N -1 1 457.526 2.903 20 0 JFADMM Cc1c(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)nnn1-c1cccc(Br)c1 ZINC001293324492 1065949144 /nfs/dbraw/zinc/94/91/44/1065949144.db2.gz HFKFGDWRWCIWTQ-UHFFFAOYSA-N -1 1 456.304 2.633 20 0 JFADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCOC[C@H]1C(F)(F)F ZINC001293756046 1066235743 /nfs/dbraw/zinc/23/57/43/1066235743.db2.gz SEUIFORRMMOCFZ-KRWDZBQOSA-N -1 1 458.414 2.619 20 0 JFADMM CN1CCO[C@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC001164666060 719437994 /nfs/dbraw/zinc/43/79/94/719437994.db2.gz AUXOQAFCXCZDNX-MOPGFXCFSA-N -1 1 459.959 2.603 20 0 JFADMM CN1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC001164666876 719441236 /nfs/dbraw/zinc/44/12/36/719441236.db2.gz DQWMECYJIWTRAP-RBUKOAKNSA-N -1 1 459.959 2.603 20 0 JFADMM O=S(=O)([N-]c1cccc(F)c1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871055 721164785 /nfs/dbraw/zinc/16/47/85/721164785.db2.gz DBAZUSOWXDOFOI-YADHBBJMSA-N -1 1 483.569 2.896 20 0 JFADMM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000389835888 1059690417 /nfs/dbraw/zinc/69/04/17/1059690417.db2.gz KJVMWUUAJNWWRJ-DYVFJYSZSA-N -1 1 453.358 2.946 20 0 JFADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCN(C2CC2)C(=O)C1 ZINC001294328224 1061844491 /nfs/dbraw/zinc/84/44/91/1061844491.db2.gz ZVTXFOONFKJFQD-UHFFFAOYSA-N -1 1 451.907 2.727 20 0 JFADMM Cc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001290179781 1061926838 /nfs/dbraw/zinc/92/68/38/1061926838.db2.gz FIYSHNXPCBBUDN-UHFFFAOYSA-N -1 1 480.535 2.862 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCS(=O)(=O)CC3CC3)ccc2C)c1 ZINC001294644639 1062170810 /nfs/dbraw/zinc/17/08/10/1062170810.db2.gz CILYEUILPDHPFP-UHFFFAOYSA-N -1 1 450.582 2.659 20 0 JFADMM O=C(OCc1ccccc1)N1CCOC[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001294676660 1062237825 /nfs/dbraw/zinc/23/78/25/1062237825.db2.gz CLDWRFUTDDHDBJ-QFIPXVFZSA-N -1 1 452.507 2.851 20 0 JFADMM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(I)ccc1[O-] ZINC001290597567 1062419389 /nfs/dbraw/zinc/41/93/89/1062419389.db2.gz XHYDWOQDHFZOAL-UHFFFAOYSA-N -1 1 456.255 2.914 20 0 JFADMM Cc1cc(C)n(CCCn2c([C@H]3CCCOC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC001290665766 1062575094 /nfs/dbraw/zinc/57/50/94/1062575094.db2.gz IOMBYMJYMIZZON-IBGZPJMESA-N -1 1 497.566 2.971 20 0 JFADMM Cc1cccc([C@@H](O)CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1 ZINC001294885238 1062599740 /nfs/dbraw/zinc/59/97/40/1062599740.db2.gz PUIRZTOCWXFSAW-FQEVSTJZSA-N -1 1 454.504 2.988 20 0 JFADMM COCCC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC001294932562 1062708363 /nfs/dbraw/zinc/70/83/63/1062708363.db2.gz MWEIQMDOEKYWOC-UHFFFAOYSA-N -1 1 459.568 2.553 20 0 JFADMM Cc1c(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)nnn1-c1ccn(C)n1 ZINC001290892242 1062769726 /nfs/dbraw/zinc/76/97/26/1062769726.db2.gz VTSAEDWNXVVGAM-UHFFFAOYSA-N -1 1 451.512 2.671 20 0 JFADMM CCC[C@@H]1C[C@H]1n1c(C(=O)N2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001295022915 1062826743 /nfs/dbraw/zinc/82/67/43/1062826743.db2.gz HJBBMLBJWZZVRB-HZPDHXFCSA-N -1 1 456.513 2.770 20 0 JFADMM C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@H]1c1ccc(F)cc1 ZINC001295094941 1062927786 /nfs/dbraw/zinc/92/77/86/1062927786.db2.gz PRRMTXBJZUHOOC-OXQOHEQNSA-N -1 1 453.486 2.720 20 0 JFADMM CC(C)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001291051262 1062980036 /nfs/dbraw/zinc/98/00/36/1062980036.db2.gz CBCBXRSLBQUHTA-GDBMZVCRSA-N -1 1 458.529 2.747 20 0 JFADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(Cn4ccnn4)CC3)cc2)cc1 ZINC001295158557 1062981972 /nfs/dbraw/zinc/98/19/72/1062981972.db2.gz KPIIFSRCQRKEDM-UHFFFAOYSA-N -1 1 455.540 2.640 20 0 JFADMM CCCc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nnn1Cc1cccc(Br)c1 ZINC001295412529 1063410031 /nfs/dbraw/zinc/41/00/31/1063410031.db2.gz ZPUUMWOWHBJKME-AWEZNQCLSA-N -1 1 459.352 2.574 20 0 JFADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(I)c(O)c1 ZINC001295601327 1063645900 /nfs/dbraw/zinc/64/59/00/1063645900.db2.gz OMVWUVRZNATUCB-UHFFFAOYSA-N -1 1 450.229 2.760 20 0 JFADMM O=C(NC1(CO)CCOCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001295702486 1063726506 /nfs/dbraw/zinc/72/65/06/1063726506.db2.gz RAJMIJBYLVJILL-UHFFFAOYSA-N -1 1 458.458 2.778 20 0 JFADMM COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C[C@@H]1C ZINC001295741228 1063748985 /nfs/dbraw/zinc/74/89/85/1063748985.db2.gz YEADVSNRAVCOSJ-SFHVURJKSA-N -1 1 459.568 2.505 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(CCC(N)=O)CC3)cc2)cc1 ZINC001295921487 1063976883 /nfs/dbraw/zinc/97/68/83/1063976883.db2.gz RUJNWKZGIIACCK-UHFFFAOYSA-N -1 1 457.552 2.808 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3c3nncn3C)cc2)cc1 ZINC001295926182 1063981269 /nfs/dbraw/zinc/98/12/69/1063981269.db2.gz ULKIBHMXQWAORE-HXUWFJFHSA-N -1 1 453.524 2.796 20 0 JFADMM CC[C@@H](C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1cccc(OCC(N)=O)c1 ZINC001291503338 1064054196 /nfs/dbraw/zinc/05/41/96/1064054196.db2.gz XCAJHCHKUJVESM-OAHLLOKOSA-N -1 1 496.534 2.599 20 0 JFADMM CCC(CC)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCOC1 ZINC001292056309 1064726451 /nfs/dbraw/zinc/72/64/51/1064726451.db2.gz UPBFRABOIMLFBY-INIZCTEOSA-N -1 1 488.555 2.518 20 0 JFADMM O=C(CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F)NC1CCCCC1 ZINC001292228008 1065015970 /nfs/dbraw/zinc/01/59/70/1065015970.db2.gz IQTSMEXTGLAJRY-UHFFFAOYSA-N -1 1 451.495 2.944 20 0 JFADMM CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)OC ZINC001292242998 1065025472 /nfs/dbraw/zinc/02/54/72/1065025472.db2.gz HDJBTPCCPRFCIF-MRXNPFEDSA-N -1 1 474.553 2.954 20 0 JFADMM CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001292303736 1065074488 /nfs/dbraw/zinc/07/44/88/1065074488.db2.gz HIPJTXPIDPHMFU-CQSZACIVSA-N -1 1 459.465 2.904 20 0 JFADMM Cc1oc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)cc1S(=O)(=O)N(C)C ZINC001292462147 1065191633 /nfs/dbraw/zinc/19/16/33/1065191633.db2.gz HSUGXPSWSQMZBT-UHFFFAOYSA-N -1 1 454.306 2.638 20 0 JFADMM CCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001292568945 1065280981 /nfs/dbraw/zinc/28/09/81/1065280981.db2.gz PJKJBUKBELCZSG-UHFFFAOYSA-N -1 1 480.535 2.922 20 0 JFADMM Cc1n[nH]c(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC001292881196 1065584537 /nfs/dbraw/zinc/58/45/37/1065584537.db2.gz DTWLSGJVKIFNRJ-UHFFFAOYSA-N -1 1 453.446 2.905 20 0 JFADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001292960938 1065640440 /nfs/dbraw/zinc/64/04/40/1065640440.db2.gz NSRFNVSHKJKHLL-CQSZACIVSA-N -1 1 476.544 2.896 20 0 JFADMM O=C(CSc1ccccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1)NC1CCCCCCC1 ZINC001292975856 1065655290 /nfs/dbraw/zinc/65/52/90/1065655290.db2.gz JKUWSRRFMPYUOF-SFHVURJKSA-N -1 1 458.588 2.735 20 0 JFADMM CCc1cc(N2CCC[C@@H](NC(=O)c3cc(I)ccc3[O-])C2)ncn1 ZINC001293103184 1065750661 /nfs/dbraw/zinc/75/06/61/1065750661.db2.gz KHMFYNDNYPXJQA-CQSZACIVSA-N -1 1 452.296 2.748 20 0 JFADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)ccc1C(N)=O ZINC001293117137 1065764287 /nfs/dbraw/zinc/76/42/87/1065764287.db2.gz QFZAPKBVGXVCDX-UHFFFAOYSA-N -1 1 453.476 2.876 20 0 JFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc2)cc1C ZINC001293384898 1065986457 /nfs/dbraw/zinc/98/64/57/1065986457.db2.gz YJSZUNAKHSLBCY-DLBZAZTESA-N -1 1 452.598 2.998 20 0 JFADMM Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001293910888 1066397158 /nfs/dbraw/zinc/39/71/58/1066397158.db2.gz BXELJSLMSAZHDT-UHFFFAOYSA-N -1 1 457.918 2.671 20 0 JFADMM CN1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC001164666062 719436772 /nfs/dbraw/zinc/43/67/72/719436772.db2.gz AUXOQAFCXCZDNX-RBUKOAKNSA-N -1 1 459.959 2.603 20 0 JFADMM NC(=O)N1CCN(C(F)(F)c2cccc(S(=O)(=O)[N-]c3nc4ccccc4nc3Cl)c2)CC1 ZINC001165042285 721941074 /nfs/dbraw/zinc/94/10/74/721941074.db2.gz MJKIUTAWEYKQMP-UHFFFAOYSA-N -1 1 496.927 2.830 20 0 JFADMM CC[C@H](OC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1)C(=O)OC ZINC001263382980 1059482451 /nfs/dbraw/zinc/48/24/51/1059482451.db2.gz LAJQVSPQRYRERW-IRXDYDNUSA-N -1 1 461.540 2.608 20 0 JFADMM COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC001294099635 1061580047 /nfs/dbraw/zinc/58/00/47/1061580047.db2.gz RLLUGGFOLVDHAR-OAQYLSRUSA-N -1 1 452.504 2.633 20 0 JFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccc(OCC(N)=O)c3)c2)c1 ZINC001294157361 1061642048 /nfs/dbraw/zinc/64/20/48/1061642048.db2.gz NOZRYZVLPDYUPJ-UHFFFAOYSA-N -1 1 453.520 2.590 20 0 JFADMM Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001290009021 1061733252 /nfs/dbraw/zinc/73/32/52/1061733252.db2.gz IBDCWUFGOGAEJP-UHFFFAOYSA-N -1 1 480.535 2.862 20 0 JFADMM Cn1c(=O)cccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001290046973 1061765880 /nfs/dbraw/zinc/76/58/80/1061765880.db2.gz YDWFHHJVIRDCAV-UHFFFAOYSA-N -1 1 455.492 2.600 20 0 JFADMM CC(C)(C)Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001287024490 1061966791 /nfs/dbraw/zinc/96/67/91/1061966791.db2.gz RDAHNBUBDQLTFV-OAHLLOKOSA-N -1 1 472.556 2.676 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCNC(=O)C3CCC3)cc2)cc1 ZINC001294407888 1061974017 /nfs/dbraw/zinc/97/40/17/1061974017.db2.gz VDWBHMBDHGZBTF-UHFFFAOYSA-N -1 1 457.552 2.726 20 0 JFADMM Cc1nc(CCn2c(-c3cnn(C)c3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cs1 ZINC001290454804 1062232687 /nfs/dbraw/zinc/23/26/87/1062232687.db2.gz UHAXKDNNYRXIAF-UHFFFAOYSA-N -1 1 482.536 2.581 20 0 JFADMM CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(F)(F)F ZINC001287094406 1062295099 /nfs/dbraw/zinc/29/50/99/1062295099.db2.gz VLYZOAFNNORBMC-UHFFFAOYSA-N -1 1 498.472 2.884 20 0 JFADMM CC(C)C(=O)NCCCn1c(C2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001287128712 1062401382 /nfs/dbraw/zinc/40/13/82/1062401382.db2.gz SXHUWUHXHAKAQU-UHFFFAOYSA-N -1 1 472.556 2.993 20 0 JFADMM Cc1cc(C)n(Cc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C[C@@H]2CCCCO2)n1 ZINC001290625737 1062496409 /nfs/dbraw/zinc/49/64/09/1062496409.db2.gz OKMCOFWYVHIEQG-SFHVURJKSA-N -1 1 483.539 2.604 20 0 JFADMM CCCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001294914260 1062671602 /nfs/dbraw/zinc/67/16/02/1062671602.db2.gz UIWLOLSBFPCCPZ-UHFFFAOYSA-N -1 1 496.534 2.587 20 0 JFADMM Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001290793175 1062699859 /nfs/dbraw/zinc/69/98/59/1062699859.db2.gz RIPOVPJPDPYJQF-UHFFFAOYSA-N -1 1 450.387 2.944 20 0 JFADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)nc2n1 ZINC001287286126 1062759498 /nfs/dbraw/zinc/75/94/98/1062759498.db2.gz WZPCJLUNTAWINB-UHFFFAOYSA-N -1 1 451.508 2.596 20 0 JFADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cncc(-n2ccnn2)c1 ZINC001290924499 1062798868 /nfs/dbraw/zinc/79/88/68/1062798868.db2.gz SNEMONOMBGNWMM-UHFFFAOYSA-N -1 1 456.434 2.994 20 0 JFADMM C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@H]1c1ccc(F)cc1 ZINC001295094940 1062927887 /nfs/dbraw/zinc/92/78/87/1062927887.db2.gz PRRMTXBJZUHOOC-OXJNMPFZSA-N -1 1 453.486 2.720 20 0 JFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCO)Cc3cccnc3)c2)cc1 ZINC001295237986 1063058123 /nfs/dbraw/zinc/05/81/23/1063058123.db2.gz KWBKECVRNCGLIR-UHFFFAOYSA-N -1 1 455.536 2.916 20 0 JFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC001295424299 1063437796 /nfs/dbraw/zinc/43/77/96/1063437796.db2.gz LSXLWADAFMVHHR-UHFFFAOYSA-N -1 1 455.559 2.633 20 0 JFADMM COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC001295425313 1063438773 /nfs/dbraw/zinc/43/87/73/1063438773.db2.gz WFXJLKNYTOXPDM-UHFFFAOYSA-N -1 1 458.458 2.956 20 0 JFADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC001295508143 1063543536 /nfs/dbraw/zinc/54/35/36/1063543536.db2.gz DPULOJCJNNGMQW-UHFFFAOYSA-N -1 1 451.298 2.973 20 0 JFADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)c1 ZINC001295509281 1063544147 /nfs/dbraw/zinc/54/41/47/1063544147.db2.gz OMVMAHHTLFOSBY-UHFFFAOYSA-N -1 1 450.879 2.759 20 0 JFADMM Cn1c(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nnc1C1CCC1 ZINC001295557425 1063590365 /nfs/dbraw/zinc/59/03/65/1063590365.db2.gz NTDMFMUIQSBBPX-UHFFFAOYSA-N -1 1 457.531 2.881 20 0 JFADMM C[C@H]1COCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001291297620 1063700499 /nfs/dbraw/zinc/70/04/99/1063700499.db2.gz AZNWBLKYYCFOLB-YJBOKZPZSA-N -1 1 466.508 2.908 20 0 JFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3(C)C)cc2)cc1 ZINC001295665152 1063707710 /nfs/dbraw/zinc/70/77/10/1063707710.db2.gz GMSYWKTZSLTNIF-UHFFFAOYSA-N -1 1 459.568 2.969 20 0 JFADMM CCc1nn(C)cc1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC001295804370 1063794252 /nfs/dbraw/zinc/79/42/52/1063794252.db2.gz RWDHZPXEIKPPJT-SFHVURJKSA-N -1 1 454.556 2.657 20 0 JFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3c3nncn3C)cc2)cc1 ZINC001295926181 1063981191 /nfs/dbraw/zinc/98/11/91/1063981191.db2.gz ULKIBHMXQWAORE-FQEVSTJZSA-N -1 1 453.524 2.796 20 0 JFADMM CCn1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn1 ZINC001295928764 1063983317 /nfs/dbraw/zinc/98/33/17/1063983317.db2.gz SOHPUMNMYZKGGS-KRWDZBQOSA-N -1 1 469.512 2.679 20 0 JFADMM CCn1cccc(Cn2c(CC(C)C)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1=O ZINC001295949957 1064000084 /nfs/dbraw/zinc/00/00/84/1064000084.db2.gz UUAQBMHPZSWZID-UHFFFAOYSA-N -1 1 468.524 2.601 20 0 JFADMM CC[C@H](C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1cccc(OCC(N)=O)c1 ZINC001291503337 1064054045 /nfs/dbraw/zinc/05/40/45/1064054045.db2.gz XCAJHCHKUJVESM-HNNXBMFYSA-N -1 1 496.534 2.599 20 0 JFADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)co1 ZINC001291560874 1064092784 /nfs/dbraw/zinc/09/27/84/1064092784.db2.gz LXZKRPALKVOUEW-CQSZACIVSA-N -1 1 459.499 2.999 20 0 JFADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001296143946 1064253391 /nfs/dbraw/zinc/25/33/91/1064253391.db2.gz XZEYFDIWONEIFU-DYZYQPBXSA-N -1 1 450.808 2.529 20 0 JFADMM CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3c(F)ccc([O-])c3F)C2)CC1 ZINC001291885464 1064506203 /nfs/dbraw/zinc/50/62/03/1064506203.db2.gz FVLRTLQBTOIFNE-CQSZACIVSA-N -1 1 453.486 2.602 20 0 JFADMM CCC(CC)NC(=O)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1c(C)noc1C ZINC001292056086 1064726006 /nfs/dbraw/zinc/72/60/06/1064726006.db2.gz QTNPTZCYVIKZEI-UHFFFAOYSA-N -1 1 499.538 2.745 20 0 JFADMM CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC001292446427 1065169986 /nfs/dbraw/zinc/16/99/86/1065169986.db2.gz BGJJAJCPNPXASI-UHFFFAOYSA-N -1 1 453.492 2.587 20 0 JFADMM CCc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 ZINC001292961081 1065641106 /nfs/dbraw/zinc/64/11/06/1065641106.db2.gz SFUZQVHZEZBBIM-UHFFFAOYSA-N -1 1 476.507 2.877 20 0 JFADMM COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Cc1ccncc1 ZINC001293053405 1065714017 /nfs/dbraw/zinc/71/40/17/1065714017.db2.gz YXDFMFIWKLJSJW-IBGZPJMESA-N -1 1 453.520 2.644 20 0 JFADMM CCC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1)OC ZINC001293978468 1066480546 /nfs/dbraw/zinc/48/05/46/1066480546.db2.gz SNLNSEWGRAREFB-FPOVZHCZSA-N -1 1 490.626 2.800 20 0 JFADMM