smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000020450601 521256096 /nfs/dbraw/zinc/25/60/96/521256096.db2.gz YPONZELBDNJSTB-SFHVURJKSA-N -1 1 438.549 4.686 40 0 IJABMM CCOc1ccc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[n-]3)nc(C)c2c1 ZINC000020797973 521306049 /nfs/dbraw/zinc/30/60/49/521306049.db2.gz ZQYFVJBIXUTINE-UHFFFAOYSA-N -1 1 435.915 4.716 40 0 IJABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020455693 523060652 /nfs/dbraw/zinc/06/06/52/523060652.db2.gz ZSLQKHQDVJOQSD-HXUWFJFHSA-N -1 1 444.940 4.937 40 0 IJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1 ZINC000020482958 524689572 /nfs/dbraw/zinc/68/95/72/524689572.db2.gz IHGBQMVZZLMVNS-HSZRJFAPSA-N -1 1 434.561 4.912 40 0 IJABMM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000020493702 525141016 /nfs/dbraw/zinc/14/10/16/525141016.db2.gz LKDGRZVZQBLQFF-GOSISDBHSA-N -1 1 438.549 4.604 40 0 IJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSC(C)(C)C)c2)cc1 ZINC000020494419 525603944 /nfs/dbraw/zinc/60/39/44/525603944.db2.gz SBRFYSNQUDXZBD-UHFFFAOYSA-N -1 1 441.018 4.711 40 0 IJABMM O=C(NCc1ccc(Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022519454 526660556 /nfs/dbraw/zinc/66/05/56/526660556.db2.gz JKODVFSMVSMPSG-UHFFFAOYSA-N -1 1 435.332 4.724 40 0 IJABMM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044886451 527478408 /nfs/dbraw/zinc/47/84/08/527478408.db2.gz YFFMMAWYFUBONP-UHFFFAOYSA-N -1 1 444.984 4.839 40 0 IJABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)c1 ZINC000408549068 555851766 /nfs/dbraw/zinc/85/17/66/555851766.db2.gz WKLBDAXTSHGXAH-UHFFFAOYSA-N -1 1 442.968 4.996 40 0 IJABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408558373 555897488 /nfs/dbraw/zinc/89/74/88/555897488.db2.gz RADBMYHTSWCSRU-UHFFFAOYSA-N -1 1 448.903 4.931 40 0 IJABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1NC(=O)c1ccccc1 ZINC000408561668 555903817 /nfs/dbraw/zinc/90/38/17/555903817.db2.gz UWJVQUXGDUOJLI-UHFFFAOYSA-N -1 1 442.562 4.860 40 0 IJABMM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408694811 556096856 /nfs/dbraw/zinc/09/68/56/556096856.db2.gz MVFDUZMCQGIFCR-NRFANRHFSA-N -1 1 442.512 4.731 40 0 IJABMM CO[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)c1ccccc1 ZINC000408731805 556187977 /nfs/dbraw/zinc/18/79/77/556187977.db2.gz PXDOPHBMSNFDET-CQSZACIVSA-N -1 1 429.152 4.575 40 0 IJABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904204 556316050 /nfs/dbraw/zinc/31/60/50/556316050.db2.gz LJLFPPCINTYZFX-OAHLLOKOSA-N -1 1 430.913 4.547 40 0 IJABMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000014026486 556357443 /nfs/dbraw/zinc/35/74/43/556357443.db2.gz HBWNZNMEVIPEAS-HNNXBMFYSA-N -1 1 430.913 4.547 40 0 IJABMM CCCOc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Br ZINC000028252047 556447027 /nfs/dbraw/zinc/44/70/27/556447027.db2.gz OHVKNUOYTQZYSQ-UHFFFAOYSA-N -1 1 449.164 4.801 40 0 IJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2C)cc1C ZINC000013648973 556545111 /nfs/dbraw/zinc/54/51/11/556545111.db2.gz WBQOEKFKSFBLKJ-UHFFFAOYSA-N -1 1 436.577 4.775 40 0 IJABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OC)cc1 ZINC000038757187 556618709 /nfs/dbraw/zinc/61/87/09/556618709.db2.gz XJONAGJJHGTHBZ-JOCHJYFZSA-N -1 1 438.549 4.686 40 0 IJABMM CCc1ccc(-n2c(C)nc3nc(N4c5ccccc5C[C@H]4C)[n-]c(=O)c3c2=S)cc1 ZINC000040386923 556636021 /nfs/dbraw/zinc/63/60/21/556636021.db2.gz XWNULGPDWYQHIE-CQSZACIVSA-N -1 1 429.549 4.792 40 0 IJABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013786832 556731763 /nfs/dbraw/zinc/73/17/63/556731763.db2.gz KGRDTHKAUXVLSN-SDHOMARFSA-N -1 1 442.515 4.917 40 0 IJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)c1 ZINC000408908081 556884937 /nfs/dbraw/zinc/88/49/37/556884937.db2.gz SZZLSGGLFCSTHE-UHFFFAOYSA-N -1 1 426.563 4.835 40 0 IJABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000408919182 556891479 /nfs/dbraw/zinc/89/14/79/556891479.db2.gz UMWZHGHUHWFPCL-CPNJWEJPSA-N -1 1 425.506 4.926 40 0 IJABMM CCOc1cc([C@H]2NC[C@@H](C(=O)[O-])S2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408978895 556908508 /nfs/dbraw/zinc/90/85/08/556908508.db2.gz OGJROQFILAMWCK-ROUUACIJSA-N -1 1 428.337 4.759 40 0 IJABMM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000019934274 556950218 /nfs/dbraw/zinc/95/02/18/556950218.db2.gz PLNKRKFEFDCXNL-SFHVURJKSA-N -1 1 438.549 4.604 40 0 IJABMM C[C@H](CCc1ccccc1)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020105468 556982164 /nfs/dbraw/zinc/98/21/64/556982164.db2.gz JTNOPNINBBZNHV-QGZVFWFLSA-N -1 1 442.968 4.892 40 0 IJABMM Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)c(C)c1 ZINC000409371172 557089659 /nfs/dbraw/zinc/08/96/59/557089659.db2.gz BILRAAYPAAWYDP-RQZCQDPDSA-N -1 1 430.913 4.646 40 0 IJABMM CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000409409010 557108226 /nfs/dbraw/zinc/10/82/26/557108226.db2.gz FRTVUDUHUNNIOC-UHFFFAOYSA-N -1 1 436.533 4.868 40 0 IJABMM CCOc1cc(CNn2cn[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022111818 557179733 /nfs/dbraw/zinc/17/97/33/557179733.db2.gz BPYWWGQOAVUWKM-UHFFFAOYSA-N -1 1 425.341 4.969 40 0 IJABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3[O-])nc2c1 ZINC000009064885 557180979 /nfs/dbraw/zinc/18/09/79/557180979.db2.gz ZIWMTJLBGKDAJA-UHFFFAOYSA-N -1 1 447.516 4.655 40 0 IJABMM Cc1[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c([O-])c1Cc1ccc(C(C)(C)C)cc1 ZINC000009926410 557193766 /nfs/dbraw/zinc/19/37/66/557193766.db2.gz TUNKASYTOMOSFT-UHFFFAOYSA-N -1 1 444.560 4.814 40 0 IJABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1cccs1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100950209 557279736 /nfs/dbraw/zinc/27/97/36/557279736.db2.gz UXCGAGZJPBITCA-FGZHOGPDSA-N -1 1 442.544 4.910 40 0 IJABMM Cc1ccc(C(=O)NCc2cccc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000222849200 557393755 /nfs/dbraw/zinc/39/37/55/557393755.db2.gz QTQOBZBAFFOMHB-UHFFFAOYSA-N -1 1 430.529 4.879 40 0 IJABMM COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000014155535 557427123 /nfs/dbraw/zinc/42/71/23/557427123.db2.gz PPQKYVUOIVBYNR-UHFFFAOYSA-N -1 1 438.549 4.982 40 0 IJABMM CCCCn1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1C ZINC000014405465 557443374 /nfs/dbraw/zinc/44/33/74/557443374.db2.gz YXPIBCNSZSWFFB-UHFFFAOYSA-N -1 1 440.569 4.662 40 0 IJABMM COC(=O)c1ccc(Nc2ccc(Cl)cc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411787 557468671 /nfs/dbraw/zinc/46/86/71/557468671.db2.gz WGGPYLDQPUMTBL-UHFFFAOYSA-N -1 1 430.913 4.979 40 0 IJABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)ccc21 ZINC000016128680 557471717 /nfs/dbraw/zinc/47/17/17/557471717.db2.gz LKZCAJHJOGNASQ-UHFFFAOYSA-N -1 1 437.521 4.582 40 0 IJABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 ZINC000223943955 557532175 /nfs/dbraw/zinc/53/21/75/557532175.db2.gz XYXNQSYSZTTZJT-UHFFFAOYSA-N -1 1 442.968 4.812 40 0 IJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(F)cc3)ccc2C)c1C ZINC000223945830 557532428 /nfs/dbraw/zinc/53/24/28/557532428.db2.gz KMXADQYJHFFOKN-UHFFFAOYSA-N -1 1 440.540 4.524 40 0 IJABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3Cl)c2)cc1 ZINC000223958140 557534315 /nfs/dbraw/zinc/53/43/15/557534315.db2.gz GNNNWOHUHDMVQI-UHFFFAOYSA-N -1 1 442.968 4.812 40 0 IJABMM O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223977403 557537782 /nfs/dbraw/zinc/53/77/82/557537782.db2.gz KZBJZHRYUGDLOC-JOCHJYFZSA-N -1 1 440.952 4.948 40 0 IJABMM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)c1 ZINC000223997092 557541561 /nfs/dbraw/zinc/54/15/61/557541561.db2.gz WBBNWYHKPQVVMK-UHFFFAOYSA-N -1 1 442.562 4.860 40 0 IJABMM CC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224006736 557543175 /nfs/dbraw/zinc/54/31/75/557543175.db2.gz BJKBMVBBDRCQAG-UHFFFAOYSA-N -1 1 442.924 4.904 40 0 IJABMM Cc1ccccc1CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224050856 557551862 /nfs/dbraw/zinc/55/18/62/557551862.db2.gz RTQQQNSMQXVWIJ-UHFFFAOYSA-N -1 1 428.941 4.688 40 0 IJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3F)c2)cc1 ZINC000224071582 557555279 /nfs/dbraw/zinc/55/52/79/557555279.db2.gz AOEDFVGLHYLAJM-UHFFFAOYSA-N -1 1 434.876 4.541 40 0 IJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)cc1 ZINC000224085991 557558596 /nfs/dbraw/zinc/55/85/96/557558596.db2.gz MGXDKRFAYPOSKH-UHFFFAOYSA-N -1 1 446.981 4.793 40 0 IJABMM CN(Cc1ccc(F)cc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224097162 557560271 /nfs/dbraw/zinc/56/02/71/557560271.db2.gz JMJQTKWSALTLKM-UHFFFAOYSA-N -1 1 432.904 4.552 40 0 IJABMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000224274455 557583992 /nfs/dbraw/zinc/58/39/92/557583992.db2.gz ODSMTAJETULWHC-GOSISDBHSA-N -1 1 438.549 4.604 40 0 IJABMM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000224533875 557617595 /nfs/dbraw/zinc/61/75/95/557617595.db2.gz OEEMNTBTBSBVMD-XNTDXEJSSA-N -1 1 436.533 4.765 40 0 IJABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 ZINC000224554109 557622071 /nfs/dbraw/zinc/62/20/71/557622071.db2.gz BZDYBQPBOQTBLO-UHFFFAOYSA-N -1 1 440.521 4.536 40 0 IJABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000224569675 557625063 /nfs/dbraw/zinc/62/50/63/557625063.db2.gz XXKOBBZXRYJKIN-UHFFFAOYSA-N -1 1 446.528 4.967 40 0 IJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000224571808 557625592 /nfs/dbraw/zinc/62/55/92/557625592.db2.gz BOONGCQQZPBPMN-UHFFFAOYSA-N -1 1 448.903 4.606 40 0 IJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000224914986 557666601 /nfs/dbraw/zinc/66/66/01/557666601.db2.gz BASKJRAPBYJSDF-UHFFFAOYSA-N -1 1 435.549 4.648 40 0 IJABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2n1Cc1ccccc1Cl ZINC000225798562 557778783 /nfs/dbraw/zinc/77/87/83/557778783.db2.gz KLLXYBOFUOWPFF-UHFFFAOYSA-N -1 1 448.928 4.705 40 0 IJABMM O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc([O-])c(Cl)c1 ZINC000261365883 568733853 /nfs/dbraw/zinc/73/38/53/568733853.db2.gz VZWMNXQPBIVTOT-NRFANRHFSA-O -1 1 449.943 4.760 40 0 IJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2C)cc1 ZINC000010335500 569223524 /nfs/dbraw/zinc/22/35/24/569223524.db2.gz KJXXDZQBOLXJQW-IBGZPJMESA-N -1 1 436.577 4.855 40 0 IJABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1Cl ZINC000028206597 569242669 /nfs/dbraw/zinc/24/26/69/569242669.db2.gz ODEXYKORAKATQD-UHFFFAOYSA-N -1 1 426.925 4.652 40 0 IJABMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c(Sc3nc[nH]n3)c2)CCCC4)cc1 ZINC000008870318 569480522 /nfs/dbraw/zinc/48/05/22/569480522.db2.gz GIKQKNRHYIPWTC-UHFFFAOYSA-N -1 1 440.550 4.690 40 0 IJABMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1 ZINC000223268048 193959973 /nfs/dbraw/zinc/95/99/73/193959973.db2.gz DXUPHXKLOKJKTD-INIZCTEOSA-N -1 1 438.574 4.801 40 0 IJABMM Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000020489056 524380579 /nfs/dbraw/zinc/38/05/79/524380579.db2.gz WQMQGUNGRPRRMH-UHFFFAOYSA-N -1 1 436.577 4.993 40 0 IJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccc(Cl)cc3)c2)cc1 ZINC000015439646 525613351 /nfs/dbraw/zinc/61/33/51/525613351.db2.gz VCXCETNPSJYTBR-UHFFFAOYSA-N -1 1 428.941 4.721 40 0 IJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)NC1CCCCC1 ZINC000408559498 555899015 /nfs/dbraw/zinc/89/90/15/555899015.db2.gz XJPMKEVOJWFRQE-UHFFFAOYSA-N -1 1 440.487 4.877 40 0 IJABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1C ZINC000408589501 555940393 /nfs/dbraw/zinc/94/03/93/555940393.db2.gz IBHLKWIWSRJWHF-UHFFFAOYSA-N -1 1 444.940 4.775 40 0 IJABMM O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000408612136 555977064 /nfs/dbraw/zinc/97/70/64/555977064.db2.gz UMZVTGLOKVYNJC-VWLOTQADSA-N -1 1 442.559 4.569 40 0 IJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)c1 ZINC000030860307 556510971 /nfs/dbraw/zinc/51/09/71/556510971.db2.gz CFVXWIOYCHLLNV-MRXNPFEDSA-N -1 1 444.940 4.855 40 0 IJABMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038753909 556616826 /nfs/dbraw/zinc/61/68/26/556616826.db2.gz JEHZALXKJFFNFT-KRWDZBQOSA-N -1 1 442.968 4.892 40 0 IJABMM Cc1nc2nc(N3c4ccccc4C[C@H]3C)[n-]c(=O)c2c(=S)n1-c1ccc(Cl)cc1 ZINC000040386919 556636029 /nfs/dbraw/zinc/63/60/29/556636029.db2.gz JSOHEZLDOPIZHR-GFCCVEGCSA-N -1 1 435.940 4.883 40 0 IJABMM Cc1cccc(C)c1-n1c(C)nc2nc(N3c4ccccc4C[C@H]3C)[n-]c(=O)c2c1=S ZINC000040386930 556636123 /nfs/dbraw/zinc/63/61/23/556636123.db2.gz XOXFWQODQRUYGP-OAHLLOKOSA-N -1 1 429.549 4.846 40 0 IJABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000044901419 556677968 /nfs/dbraw/zinc/67/79/68/556677968.db2.gz UKVZUYGLAOYTMP-GOSISDBHSA-N -1 1 438.549 4.686 40 0 IJABMM 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CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)Cn3c(C)cc4ccccc43)n2)s1 ZINC000072375421 556951294 /nfs/dbraw/zinc/95/12/94/556951294.db2.gz KOAUPXDEMRFJBZ-FQEVSTJZSA-N -1 1 446.580 4.866 40 0 IJABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)c3c(C)oc4c3CCCC4)n2)s1 ZINC000072375475 556951378 /nfs/dbraw/zinc/95/13/78/556951378.db2.gz RAZRBKGYGQOUBZ-KRWDZBQOSA-N -1 1 437.569 4.997 40 0 IJABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020035401 556970001 /nfs/dbraw/zinc/97/00/01/556970001.db2.gz XMGIPKVAKLLTEW-UHFFFAOYSA-N -1 1 428.941 4.939 40 0 IJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)cc1 ZINC000020104571 556981559 /nfs/dbraw/zinc/98/15/59/556981559.db2.gz NPKRYPPYKWERIT-HSZRJFAPSA-N -1 1 434.561 4.912 40 0 IJABMM C[C@@H](CCc1ccccc1)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020105466 556982190 /nfs/dbraw/zinc/98/21/90/556982190.db2.gz JTNOPNINBBZNHV-KRWDZBQOSA-N -1 1 442.968 4.892 40 0 IJABMM Cc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020110391 556985052 /nfs/dbraw/zinc/98/50/52/556985052.db2.gz KQOKQAOXQYMKHG-UHFFFAOYSA-N -1 1 442.968 4.812 40 0 IJABMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000020111779 556986288 /nfs/dbraw/zinc/98/62/88/556986288.db2.gz XVFYHIMDHCCBKV-QHCPKHFHSA-N -1 1 438.549 4.686 40 0 IJABMM Cc1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)[O-])n1 ZINC000409196034 556994141 /nfs/dbraw/zinc/99/41/41/556994141.db2.gz YHYZEXFJFNLUDR-YVLHZVERSA-N -1 1 446.326 4.672 40 0 IJABMM Cc1nc(SC(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)[O-])n[nH]1 ZINC000409196034 556994143 /nfs/dbraw/zinc/99/41/43/556994143.db2.gz YHYZEXFJFNLUDR-YVLHZVERSA-N -1 1 446.326 4.672 40 0 IJABMM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000216279551 557142033 /nfs/dbraw/zinc/14/20/33/557142033.db2.gz BLMDGTSFQOUERU-UHFFFAOYSA-N -1 1 428.941 4.721 40 0 IJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3Cl)cc2C)cc1 ZINC000010314615 557215795 /nfs/dbraw/zinc/21/57/95/557215795.db2.gz 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Cc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223976694 557537757 /nfs/dbraw/zinc/53/77/57/557537757.db2.gz KWUBQNOZQXPJHZ-UHFFFAOYSA-N -1 1 442.968 4.812 40 0 IJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000223992072 557540688 /nfs/dbraw/zinc/54/06/88/557540688.db2.gz XBKCOQFJYWLLMW-MRXNPFEDSA-N -1 1 426.563 4.700 40 0 IJABMM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223995016 557541426 /nfs/dbraw/zinc/54/14/26/557541426.db2.gz UELIQDFEILRZIO-UHFFFAOYSA-N -1 1 442.562 4.779 40 0 IJABMM Cc1cc(C(=O)NCCCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224007241 557543142 /nfs/dbraw/zinc/54/31/42/557543142.db2.gz KFGLCKQKVMUWAX-UHFFFAOYSA-N -1 1 442.968 4.812 40 0 IJABMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl)N1CCCCCC1 ZINC000224019019 557545636 /nfs/dbraw/zinc/54/56/36/557545636.db2.gz KSAJIYKULZDICV-UHFFFAOYSA-N -1 1 427.353 4.810 40 0 IJABMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1)c1ccccc1C ZINC000224045531 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430.913 4.710 40 0 IJABMM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223983468 557539221 /nfs/dbraw/zinc/53/92/21/557539221.db2.gz PKHPBJFCRYUSNF-UHFFFAOYSA-N -1 1 438.549 4.873 40 0 IJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)cc1 ZINC000223987225 557539734 /nfs/dbraw/zinc/53/97/34/557539734.db2.gz CHWXEZWYIBZPPV-GOSISDBHSA-N -1 1 438.549 4.604 40 0 IJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2)cc1 ZINC000223987169 557539788 /nfs/dbraw/zinc/53/97/88/557539788.db2.gz CHWXEZWYIBZPPV-SFHVURJKSA-N -1 1 438.549 4.604 40 0 IJABMM Cc1cc(C(=O)N(C)Cc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224002097 557542355 /nfs/dbraw/zinc/54/23/55/557542355.db2.gz OPBPHUMYESJYHE-UHFFFAOYSA-N -1 1 428.941 4.721 40 0 IJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)c(Cl)c2)cc1 ZINC000224023876 557546668 /nfs/dbraw/zinc/54/66/68/557546668.db2.gz DMFKYEVESMGCNR-UHFFFAOYSA-N -1 1 434.876 4.541 40 0 IJABMM 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557583836 /nfs/dbraw/zinc/58/38/36/557583836.db2.gz AGZJGFOCOKLCDT-SFHVURJKSA-N -1 1 438.549 4.604 40 0 IJABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)c1 ZINC000224531728 557617454 /nfs/dbraw/zinc/61/74/54/557617454.db2.gz GPOQQHLZSYJXOW-UHFFFAOYSA-N -1 1 430.913 4.710 40 0 IJABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)c1 ZINC000224537653 557618261 /nfs/dbraw/zinc/61/82/61/557618261.db2.gz NPZXHHADTRRZPC-UHFFFAOYSA-N -1 1 442.562 4.617 40 0 IJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000224560883 557623694 /nfs/dbraw/zinc/62/36/94/557623694.db2.gz VURUJZWICYMSQZ-INIZCTEOSA-N -1 1 444.940 4.855 40 0 IJABMM Cc1ccc(N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)cc1 ZINC000224564754 557624258 /nfs/dbraw/zinc/62/42/58/557624258.db2.gz ROKMXJQRLMZNFA-UHFFFAOYSA-N -1 1 449.576 4.651 40 0 IJABMM Cc1cccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000224568478 557624906 /nfs/dbraw/zinc/62/49/06/557624906.db2.gz 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