smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2cccc(C)c2)cc1 ZINC000020169705 558343361 /nfs/dbraw/zinc/34/33/61/558343361.db2.gz WLZZAKVHKFSRCR-UHFFFAOYSA-N -2 3 404.470 4.228 50 0 HIAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(=O)[O-])c1 ZINC000033007457 558828326 /nfs/dbraw/zinc/82/83/26/558828326.db2.gz LSUKJOPOMPXKNH-UHFFFAOYSA-N -2 3 404.532 4.347 50 0 HIAAHL Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000033253481 558921577 /nfs/dbraw/zinc/92/15/77/558921577.db2.gz XBHNMFMBJJESNG-UHFFFAOYSA-N -2 3 424.522 4.439 50 0 HIAAHL CCc1cc(-c2n[nH]c(CCCC(=O)[O-])c2-c2nc3ccccc3n2C)c([O-])cc1O ZINC000005728138 560854621 /nfs/dbraw/zinc/85/46/21/560854621.db2.gz ZCBLKVYOGQSTRY-UHFFFAOYSA-N -2 3 420.469 4.011 50 0 HIAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])c1 ZINC000033007237 558827822 /nfs/dbraw/zinc/82/78/22/558827822.db2.gz OMOQXCASPCRFLT-HNNXBMFYSA-N -2 3 402.516 4.039 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1C ZINC000033007406 558827851 /nfs/dbraw/zinc/82/78/51/558827851.db2.gz DHQWOKMKVOPPRJ-UHFFFAOYSA-N -2 3 416.543 4.347 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])c(C)c1 ZINC000033007267 558827864 /nfs/dbraw/zinc/82/78/64/558827864.db2.gz HOAPXOHMOPKESA-HNNXBMFYSA-N -2 3 402.516 4.039 50 0 HIAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000033253374 558921490 /nfs/dbraw/zinc/92/14/90/558921490.db2.gz BXNPNQRFZANXFG-UHFFFAOYSA-N -2 3 410.923 4.384 50 0 HIAAHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000033253479 558921497 /nfs/dbraw/zinc/92/14/97/558921497.db2.gz ULRWPROUBBYARQ-UHFFFAOYSA-N -2 3 410.495 4.130 50 0 HIAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000033253504 558921652 /nfs/dbraw/zinc/92/16/52/558921652.db2.gz GASMACXMMBVKNM-UHFFFAOYSA-N -2 3 420.531 4.211 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000033253576 558921687 /nfs/dbraw/zinc/92/16/87/558921687.db2.gz SHQSASORGMRNCM-UHFFFAOYSA-N -2 3 404.532 4.429 50 0 HIAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000033253505 558921760 /nfs/dbraw/zinc/92/17/60/558921760.db2.gz JHHALCBJDQCFPY-UHFFFAOYSA-N -2 3 408.495 4.260 50 0 HIAAHL O=C([N-]N=c1nc(-c2ccccc2)c2cc(Cl)ccc2[n-]1)c1ccc([N+](=O)[O-])o1 ZINC000000821735 568498462 /nfs/dbraw/zinc/49/84/62/568498462.db2.gz RUGZFMFSMCKPCJ-UHFFFAOYSA-N -2 3 409.789 4.208 50 0 HIAAHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000007990191 569063854 /nfs/dbraw/zinc/06/38/54/569063854.db2.gz AQEISUSABGLCOU-ZDUSSCGKSA-N -2 3 408.690 4.141 50 0 HIAAHL CCc1ccc(-c2[nH]nc3nc(-c4cc(OC)c([O-])c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492387 558378476 /nfs/dbraw/zinc/37/84/76/558378476.db2.gz ILIJDZSMNGPUPX-UHFFFAOYSA-N -2 3 419.437 4.275 50 0 HIAAHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1 ZINC000033007425 558828307 /nfs/dbraw/zinc/82/83/07/558828307.db2.gz FIFCUKWETSYXAO-UHFFFAOYSA-N -2 3 416.543 4.374 50 0 HIAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000033253431 558921421 /nfs/dbraw/zinc/92/14/21/558921421.db2.gz IRZGTJZZYLEZGH-UHFFFAOYSA-N -2 3 402.516 4.039 50 0 HIAAHL O=C([O-])COc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)cc1 ZINC000004825713 559154408 /nfs/dbraw/zinc/15/44/08/559154408.db2.gz UUMYTFNURDQBBY-NTCAYCPXSA-N -2 3 413.433 4.274 50 0 HIAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000033253372 568512130 /nfs/dbraw/zinc/51/21/30/568512130.db2.gz GKEXDVAKZUYMTC-UHFFFAOYSA-N -2 3 404.532 4.347 50 0 HIAAHL O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])[C@@H]1CC=CCC1 ZINC000012778714 568956357 /nfs/dbraw/zinc/95/63/57/568956357.db2.gz WOPCXNNUDYXTRG-CYBMUJFWSA-N -2 3 406.891 4.141 50 0 HIAAHL O=C(OCc1cccc(COC(=O)c2ccc([O-])c(F)c2)c1)c1ccc([O-])c(F)c1 ZINC000526061666 569017009 /nfs/dbraw/zinc/01/70/09/569017009.db2.gz XOZKRECPKXTNAK-UHFFFAOYSA-N -2 3 414.360 4.090 50 0 in-vitro HIAAHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1Cl ZINC000003325320 557474306 /nfs/dbraw/zinc/47/43/06/557474306.db2.gz ZHWTYYRTLPAHBM-CQSZACIVSA-N -2 3 408.690 4.141 50 0 HIAAHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[O-])c2)c1 ZINC000025177425 558634001 /nfs/dbraw/zinc/63/40/01/558634001.db2.gz JVTSEAMSVVBPSM-UHFFFAOYSA-N -2 3 416.886 4.407 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1C ZINC000033007273 558827915 /nfs/dbraw/zinc/82/79/15/558827915.db2.gz POVCZGBLXISBML-UHFFFAOYSA-N -2 3 402.516 4.039 50 0 HIAAHL O=C([O-])c1nc(Cl)c(Cl)c([N-]N=c2c(=O)c3cccc4cccc2c34)c1Cl ZINC000254700134 854213431 /nfs/dbraw/zinc/21/34/31/854213431.db2.gz FDNONIHBBSYWMU-UHFFFAOYSA-N -2 3 420.639 4.210 50 0 HIAAHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1Cl ZINC000003325322 557474312 /nfs/dbraw/zinc/47/43/12/557474312.db2.gz ZHWTYYRTLPAHBM-AWEZNQCLSA-N -2 3 408.690 4.141 50 0 HIAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])c1 ZINC000033007235 558827845 /nfs/dbraw/zinc/82/78/45/558827845.db2.gz OMOQXCASPCRFLT-OAHLLOKOSA-N -2 3 402.516 4.039 50 0 HIAAHL Cc1ccc(C)c(-n2c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000017245831 560705464 /nfs/dbraw/zinc/70/54/64/560705464.db2.gz XRSGGQWLJFXQJB-HXUWFJFHSA-N -2 3 418.522 4.346 50 0 HIAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)[n-]c1=S ZINC000101767053 560799894 /nfs/dbraw/zinc/79/98/94/560799894.db2.gz BUQQTQJLYNAOFN-INIZCTEOSA-N -2 3 411.508 4.212 50 0 HIAAHL O=S(=O)([N-]N=c1nc(-c2ccccc2)c2cc(Cl)ccc2[n-]1)c1ccccc1 ZINC000000848167 568710795 /nfs/dbraw/zinc/71/07/95/568710795.db2.gz DPLIGNSWYTUDCK-UHFFFAOYSA-N -2 3 410.886 4.256 50 0 HIAAHL COC(=O)C[C@H](c1cccnc1)c1c([O-])ccc(C(=O)c2ccc(Cl)cc2)c1[O-] ZINC000524730269 569051688 /nfs/dbraw/zinc/05/16/88/569051688.db2.gz BWCLLWVXGFJMIO-QGZVFWFLSA-N -2 3 411.841 4.072 50 0 HIAAHL Cc1cc([N-]c2nc3cc(S(=O)(=O)[N-]c4ccccc4Cl)ccc3o2)no1 ZINC000009516965 571265071 /nfs/dbraw/zinc/26/50/71/571265071.db2.gz VJHLFYHUWFDXKW-UHFFFAOYSA-N -2 3 404.835 4.322 50 0 HIAAHL Cc1ccc(-c2n[n-]c3c2[C@H](c2cccnc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746409 557377515 /nfs/dbraw/zinc/37/75/15/557377515.db2.gz MQXHVSXRMFWVGZ-QFIPXVFZSA-N -2 3 410.433 4.228 50 0 HIAAHL Cc1ccc(-c2[n-]nc3c2[C@H](c2cccnc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746409 557377518 /nfs/dbraw/zinc/37/75/18/557377518.db2.gz MQXHVSXRMFWVGZ-QFIPXVFZSA-N -2 3 410.433 4.228 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253436 558921452 /nfs/dbraw/zinc/92/14/52/558921452.db2.gz KBYOFIRJZYTBRH-UHFFFAOYSA-N -2 3 402.516 4.039 50 0 HIAAHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000033253649 558921976 /nfs/dbraw/zinc/92/19/76/558921976.db2.gz OIKRSXVUARSCHM-UHFFFAOYSA-N -2 3 404.532 4.230 50 0 HIAAHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c(C)c1 ZINC000000673936 557050789 /nfs/dbraw/zinc/05/07/89/557050789.db2.gz IZPUZXNEBVGZBK-UHFFFAOYSA-N -2 3 424.478 4.055 50 0 HIAAHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000033253446 558921565 /nfs/dbraw/zinc/92/15/65/558921565.db2.gz XJJYADPQQUNHHX-UHFFFAOYSA-N -2 3 422.934 4.384 50 0 HIAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCCCCCC1 ZINC000032962166 526352085 /nfs/dbraw/zinc/35/20/85/526352085.db2.gz GINKGQOOEARZKQ-UHFFFAOYSA-N -2 3 406.479 4.095 50 0 HIAAHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1C ZINC000000677090 557053515 /nfs/dbraw/zinc/05/35/15/557053515.db2.gz MJXOVQSRLNNIKX-UHFFFAOYSA-N -2 3 424.478 4.055 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(OCc2ccc(C)cc2)c1 ZINC000008782323 557808431 /nfs/dbraw/zinc/80/84/31/557808431.db2.gz OYYBRHVJQBWALT-UHFFFAOYSA-N -2 3 404.470 4.228 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1cn(Cc2ccccc2)c2ccccc12)c1c(C)[n-][nH]c1=O ZINC000019812047 558286873 /nfs/dbraw/zinc/28/68/73/558286873.db2.gz QEMLDOBPJLFEHT-UHFFFAOYSA-N -2 3 413.481 4.344 50 0 HIAAHL O=C1[N-]C(c2ccccc2)=N[C@@]1([N-]c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000012376075 558391804 /nfs/dbraw/zinc/39/18/04/558391804.db2.gz ICUAIUACARGJDZ-AWEZNQCLSA-N -2 3 422.716 4.001 50 0 HIAAHL O=C(Nc1ccccc1[O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000022024269 558458843 /nfs/dbraw/zinc/45/88/43/558458843.db2.gz RDWWCTDTVZBAAZ-UHFFFAOYSA-N -2 3 402.859 4.099 50 0 HIAAHL CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3C)cc2)cc1 ZINC000012604981 568870730 /nfs/dbraw/zinc/87/07/30/568870730.db2.gz FKKSBMQZQGHXPR-UHFFFAOYSA-N -2 3 424.478 4.119 50 0 HIAAHL Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000079076318 569427015 /nfs/dbraw/zinc/42/70/15/569427015.db2.gz WRMDOFKLCCBYMR-UHFFFAOYSA-N -2 3 408.405 4.279 50 0 HIAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000032962188 525332904 /nfs/dbraw/zinc/33/29/04/525332904.db2.gz WISPABCEBQGEAE-UHFFFAOYSA-N -2 3 402.516 4.265 50 0 HIAAHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012981970 558493728 /nfs/dbraw/zinc/49/37/28/558493728.db2.gz OETZFHPLSJOOPQ-ZDUSSCGKSA-N -2 3 408.690 4.141 50 0 HIAAHL O=C([O-])c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000013879838 558599255 /nfs/dbraw/zinc/59/92/55/558599255.db2.gz IXSBDSKRJJIPHK-GZTJUZNOSA-N -2 3 408.797 4.396 50 0 HIAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000033253351 558921229 /nfs/dbraw/zinc/92/12/29/558921229.db2.gz FBCFUGMSNODVKJ-UHFFFAOYSA-N -2 3 404.532 4.347 50 0 HIAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000033253500 558921638 /nfs/dbraw/zinc/92/16/38/558921638.db2.gz ZZEPIYKELAXHNQ-UHFFFAOYSA-N -2 3 404.532 4.374 50 0 HIAAHL Cc1ccc(C)c(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000018213475 569047190 /nfs/dbraw/zinc/04/71/90/569047190.db2.gz XRSGGQWLJFXQJB-FQEVSTJZSA-N -2 3 418.522 4.346 50 0 HIAAHL CCOc1ccc(-c2[nH]nc3nc(-c4cccc(OCC)c4[O-])cc(C(=O)[O-])c32)cc1 ZINC000009597461 571272451 /nfs/dbraw/zinc/27/24/51/571272451.db2.gz DMQLSCKCFXCBHV-UHFFFAOYSA-N -2 3 419.437 4.493 50 0 HIAAHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253469 558921548 /nfs/dbraw/zinc/92/15/48/558921548.db2.gz AJSWOYURHNZRLV-UHFFFAOYSA-N -2 3 424.522 4.384 50 0 HIAAHL CC(C)CN(CC(C)C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253587 558921696 /nfs/dbraw/zinc/92/16/96/558921696.db2.gz PBBBWMIWYGJEJP-UHFFFAOYSA-N -2 3 422.522 4.443 50 0 HIAAHL COC(=O)C[C@@H](c1ccco1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115812 568695555 /nfs/dbraw/zinc/69/55/55/568695555.db2.gz HBCCMDUILQTLRU-AWEZNQCLSA-N -2 3 406.390 4.159 50 0 HIAAHL O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3sc(-c4ccccc4[O-])nc3c1)C2=O ZINC000003010222 557779234 /nfs/dbraw/zinc/77/92/34/557779234.db2.gz YMAHYBGNZCYSTN-UHFFFAOYSA-N -2 3 416.414 4.168 50 0 HIAAHL O=C(CSc1nc([O-])c(Cc2ccc(Cl)cc2Cl)c(=O)[n-]1)c1ccccc1 ZINC000034902397 558787427 /nfs/dbraw/zinc/78/74/27/558787427.db2.gz RUWNGTYZHPTDFM-UHFFFAOYSA-N -2 3 421.305 4.348 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C(=O)[O-])c(C)c1 ZINC000033007454 558828330 /nfs/dbraw/zinc/82/83/30/558828330.db2.gz KBWCAFBYUBAEEV-UHFFFAOYSA-N -2 3 416.543 4.491 50 0 HIAAHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000033253471 558921459 /nfs/dbraw/zinc/92/14/59/558921459.db2.gz DKBQIOFDDGEVBU-UHFFFAOYSA-N -2 3 410.495 4.130 50 0 HIAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000033253495 558921626 /nfs/dbraw/zinc/92/16/26/558921626.db2.gz PDFFPTJGYOYNPV-UHFFFAOYSA-N -2 3 404.532 4.429 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c(C)c1 ZINC000033253947 558922266 /nfs/dbraw/zinc/92/22/66/558922266.db2.gz YVIBKUWSRBFBEO-AWEZNQCLSA-N -2 3 416.543 4.347 50 0 HIAAHL CCCCCCOC(=O)c1ccccc1NC(=O)c1c([O-])[n-]c2ccccc2c1=O ZINC000018143497 560094387 /nfs/dbraw/zinc/09/43/87/560094387.db2.gz GMDFEFKSTBCEHJ-UHFFFAOYSA-N -2 3 408.454 4.223 50 0 biogenic,in-vitro HIAAHL COC(=O)C[C@H](c1ccco1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115813 568695455 /nfs/dbraw/zinc/69/54/55/568695455.db2.gz HBCCMDUILQTLRU-CQSZACIVSA-N -2 3 406.390 4.159 50 0 HIAAHL O=C([O-])c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000004472418 557556769 /nfs/dbraw/zinc/55/67/69/557556769.db2.gz INBXXCNLHSFDMY-GZTJUZNOSA-N -2 3 408.797 4.396 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1C ZINC000033253445 558921570 /nfs/dbraw/zinc/92/15/70/558921570.db2.gz AICXTWMMOCTFPH-UHFFFAOYSA-N -2 3 416.543 4.347 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000033253561 558921781 /nfs/dbraw/zinc/92/17/81/558921781.db2.gz ROLHWKSGZMKRGD-UHFFFAOYSA-N -2 3 404.532 4.429 50 0 HIAAHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000007813991 569312448 /nfs/dbraw/zinc/31/24/48/569312448.db2.gz JAGNDVZMSFLGNZ-UHFFFAOYSA-N -2 3 411.479 4.084 50 0 HIAAHL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000012476148 845874666 /nfs/dbraw/zinc/87/46/66/845874666.db2.gz DXHLHYJGBKBCGK-OVCLIPMQSA-N -2 3 409.463 4.164 50 0 HIAAHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000032962196 524806052 /nfs/dbraw/zinc/80/60/52/524806052.db2.gz JQNMFWBHZWGRKK-UHFFFAOYSA-N -2 3 402.516 4.265 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1C ZINC000033007418 558828340 /nfs/dbraw/zinc/82/83/40/558828340.db2.gz HOPYUYIRMVKDPX-AWEZNQCLSA-N -2 3 416.543 4.347 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253427 558921472 /nfs/dbraw/zinc/92/14/72/558921472.db2.gz GPNGLXNOLJJIPS-UHFFFAOYSA-N -2 3 416.543 4.347 50 0 HIAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253506 558921764 /nfs/dbraw/zinc/92/17/64/558921764.db2.gz HAPOADYPDAHDQX-UHFFFAOYSA-N -2 3 412.458 4.090 50 0 HIAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCC2CCCC2)c1 ZINC000005602267 560629138 /nfs/dbraw/zinc/62/91/38/560629138.db2.gz POSINYRNTGCJPI-UHFFFAOYSA-N -2 3 418.515 4.111 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)cc1 ZINC000003182653 568860266 /nfs/dbraw/zinc/86/02/66/568860266.db2.gz OOZIDWWPZBDPMQ-UHFFFAOYSA-N -2 3 413.339 4.108 50 0 HIAAHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000032962191 524873117 /nfs/dbraw/zinc/87/31/17/524873117.db2.gz QBAKZBSKCIWZAQ-UHFFFAOYSA-N -2 3 420.506 4.404 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000020066092 558330364 /nfs/dbraw/zinc/33/03/64/558330364.db2.gz WQONJNXINZFPCH-UHFFFAOYSA-N -2 3 408.433 4.059 50 0 HIAAHL O=C([O-])[C@@H](Cc1ccc([O-])c(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528889 558812139 /nfs/dbraw/zinc/81/21/39/558812139.db2.gz VNQUEERXNCSBHF-OAQYLSRUSA-N -2 3 421.424 4.066 50 0 HIAAHL CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1 ZINC000033007187 558827900 /nfs/dbraw/zinc/82/79/00/558827900.db2.gz GMECFWWVEPDVLN-UHFFFAOYSA-N -2 3 408.907 4.075 50 0 HIAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000033253360 558921440 /nfs/dbraw/zinc/92/14/40/558921440.db2.gz CPZRHJZBYCZIEO-UHFFFAOYSA-N -2 3 416.543 4.301 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253458 558921504 /nfs/dbraw/zinc/92/15/04/558921504.db2.gz PFNQMFCZFVCIBH-UHFFFAOYSA-N -2 3 410.495 4.130 50 0 HIAAHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000033253665 558922028 /nfs/dbraw/zinc/92/20/28/558922028.db2.gz QVNGSRPWXQSMLX-UHFFFAOYSA-N -2 3 402.516 4.299 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c(C)c1 ZINC000033253946 558922279 /nfs/dbraw/zinc/92/22/79/558922279.db2.gz YVIBKUWSRBFBEO-CQSZACIVSA-N -2 3 416.543 4.347 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962130 520483766 /nfs/dbraw/zinc/48/37/66/520483766.db2.gz RYTOWFPRAYJGFE-UHFFFAOYSA-N -2 3 418.515 4.015 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000032962111 524325561 /nfs/dbraw/zinc/32/55/61/524325561.db2.gz QGAJKEDZNXATPV-UHFFFAOYSA-N -2 3 416.543 4.491 50 0 HIAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCCCCCC1 ZINC000032962187 526354507 /nfs/dbraw/zinc/35/45/07/526354507.db2.gz WWFYFQVRANYNHN-UHFFFAOYSA-N -2 3 406.479 4.095 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000004146678 557520009 /nfs/dbraw/zinc/52/00/09/557520009.db2.gz GIAXOUHYKNIHJF-UHFFFAOYSA-N -2 3 408.433 4.059 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C(=O)[O-])c(C)c1 ZINC000033007255 558827857 /nfs/dbraw/zinc/82/78/57/558827857.db2.gz IOIOWGSZVZFDRF-UHFFFAOYSA-N -2 3 402.516 4.183 50 0 HIAAHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007436 558828302 /nfs/dbraw/zinc/82/83/02/558828302.db2.gz ZZZONBFQKAPMGL-MRXNPFEDSA-N -2 3 416.543 4.374 50 0 HIAAHL O=C([O-])c1ccccc1[N-]C(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000004785813 559063904 /nfs/dbraw/zinc/06/39/04/559063904.db2.gz SIZIZNHSDARVKO-UHFFFAOYSA-N -2 3 406.282 4.048 50 0 HIAAHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007438 568510278 /nfs/dbraw/zinc/51/02/78/568510278.db2.gz ZZZONBFQKAPMGL-INIZCTEOSA-N -2 3 416.543 4.374 50 0 HIAAHL O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])[C@H]1CC=CCC1 ZINC000012778709 568956338 /nfs/dbraw/zinc/95/63/38/568956338.db2.gz WOPCXNNUDYXTRG-ZDUSSCGKSA-N -2 3 406.891 4.141 50 0 HIAAHL CCOc1cccc2c1Oc1nc(-c3cc(Br)ccc3[O-])[n-]c(=O)c1C2 ZINC000009290417 571245471 /nfs/dbraw/zinc/24/54/71/571245471.db2.gz BLQBNZIBNKCNBL-UHFFFAOYSA-N -2 3 415.243 4.000 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962171 525605098 /nfs/dbraw/zinc/60/50/98/525605098.db2.gz RNDHJSHHODMPPQ-UHFFFAOYSA-N -2 3 402.516 4.265 50 0 HIAAHL O=c1[n-]c(-c2cc(Cl)ccc2[O-])nc2c1Cc1cc(Br)ccc1O2 ZINC000006733035 569103692 /nfs/dbraw/zinc/10/36/92/569103692.db2.gz WRIIOJKKLXZKSQ-UHFFFAOYSA-N -2 3 405.635 4.255 50 0 HIAAHL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000033581492 848138278 /nfs/dbraw/zinc/13/82/78/848138278.db2.gz DXHLHYJGBKBCGK-NVNXTCNLSA-N -2 3 409.463 4.164 50 0 HIAAHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962205 520920962 /nfs/dbraw/zinc/92/09/62/520920962.db2.gz PTXUMCPRMOHBJT-UHFFFAOYSA-N -2 3 417.314 4.339 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccc(C)cc2)cc1 ZINC000020131519 558337302 /nfs/dbraw/zinc/33/73/02/558337302.db2.gz WHLWDKSCPCWGEU-UHFFFAOYSA-N -2 3 404.470 4.228 50 0 HIAAHL COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(Br)c1[O-] ZINC000006508625 845205515 /nfs/dbraw/zinc/20/55/15/845205515.db2.gz TVRCWPHKSHSZHS-IZZDOVSWSA-N -2 3 404.216 4.320 50 0 HIAAHL COC(=O)NC(=S)[N-]c1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000001233342 557249946 /nfs/dbraw/zinc/24/99/46/557249946.db2.gz CFORTEQPXANRGB-UHFFFAOYSA-N -2 3 414.270 4.004 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])c(C)c1 ZINC000033007265 558827925 /nfs/dbraw/zinc/82/79/25/558827925.db2.gz HOAPXOHMOPKESA-OAHLLOKOSA-N -2 3 402.516 4.039 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000004663792 557577998 /nfs/dbraw/zinc/57/79/98/557577998.db2.gz AGXANDPGKCICJJ-UHFFFAOYSA-N -2 3 408.433 4.059 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1OCc1ccc(C)cc1 ZINC000019907732 558305862 /nfs/dbraw/zinc/30/58/62/558305862.db2.gz AWEHXLBBQYVXKC-UHFFFAOYSA-N -2 3 404.470 4.228 50 0 HIAAHL CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000033253840 558922034 /nfs/dbraw/zinc/92/20/34/558922034.db2.gz CJANWFCFSJYMGY-UHFFFAOYSA-N -2 3 404.532 4.347 50 0 HIAAHL CC(C)CN(CC(C)C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253579 558921777 /nfs/dbraw/zinc/92/17/77/558921777.db2.gz GXCGYXMDLCYHNG-UHFFFAOYSA-N -2 3 404.532 4.304 50 0 HIAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCCCCCC1 ZINC000032962193 526352608 /nfs/dbraw/zinc/35/26/08/526352608.db2.gz BVGQATAKXHQRRG-UHFFFAOYSA-N -2 3 424.469 4.234 50 0 HIAAHL O=C([O-])[C@H](Cc1ccc([O-])c(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583005 557358331 /nfs/dbraw/zinc/35/83/31/557358331.db2.gz VNQUEERXNCSBHF-NRFANRHFSA-N -2 3 421.424 4.066 50 0 HIAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2C(=O)[O-])c1 ZINC000033007223 558827971 /nfs/dbraw/zinc/82/79/71/558827971.db2.gz KPRDOOQLRSPTRH-UHFFFAOYSA-N -2 3 402.516 4.039 50 0 HIAAHL O=C([O-])c1ccc(-c2ccc(/C=C3\[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000002065791 569073921 /nfs/dbraw/zinc/07/39/21/569073921.db2.gz IXSBDSKRJJIPHK-BOPFTXTBSA-N -2 3 408.797 4.396 50 0 HIAAHL Cc1cc(=O)[n-]c(SCCCCCCCCCCSc2nc(C)cc(=O)[n-]2)n1 ZINC000009434063 571258582 /nfs/dbraw/zinc/25/85/82/571258582.db2.gz YCQSTMRWTGTDCB-UHFFFAOYSA-N -2 3 422.620 4.475 50 0 HIAAHL O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c([O-])[n-]c2ccccc2c1=O ZINC000017258392 558826299 /nfs/dbraw/zinc/82/62/99/558826299.db2.gz WANQKVAYNIWVHC-UHFFFAOYSA-N -2 3 421.522 4.410 50 0 HIAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000033253459 558921464 /nfs/dbraw/zinc/92/14/64/558921464.db2.gz IVOIPRRIDSSRSI-UHFFFAOYSA-N -2 3 424.522 4.439 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000033253566 558921737 /nfs/dbraw/zinc/92/17/37/558921737.db2.gz QJWKKBGBHYLTRV-UHFFFAOYSA-N -2 3 404.532 4.374 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000033253559 558921785 /nfs/dbraw/zinc/92/17/85/558921785.db2.gz WXBAQZSBRDJCSJ-UHFFFAOYSA-N -2 3 404.532 4.429 50 0 HIAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccccc2F)cc1 ZINC000020103722 558332810 /nfs/dbraw/zinc/33/28/10/558332810.db2.gz PCWLSXIXCLUASR-UHFFFAOYSA-N -2 3 408.433 4.059 50 0 HIAAHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012981968 558493785 /nfs/dbraw/zinc/49/37/85/558493785.db2.gz OETZFHPLSJOOPQ-CYBMUJFWSA-N -2 3 408.690 4.141 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000033253569 558921633 /nfs/dbraw/zinc/92/16/33/558921633.db2.gz JCFPYPXWXBEWLH-UHFFFAOYSA-N -2 3 420.531 4.211 50 0 HIAAHL CC(C)CN(CC(C)C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253577 558921755 /nfs/dbraw/zinc/92/17/55/558921755.db2.gz QERLVPNXHBLJSA-UHFFFAOYSA-N -2 3 422.522 4.443 50 0 HIAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccsc3C(=O)[O-])cc2)cc1 ZINC000008857286 569390603 /nfs/dbraw/zinc/39/06/03/569390603.db2.gz GIFTWQMBLWPOFV-UHFFFAOYSA-N -2 3 405.453 4.048 50 0 HIAAHL COC(=O)C[C@@H](c1cccnc1)c1c([O-])ccc(C(=O)c2ccc(Cl)cc2)c1[O-] ZINC000524730268 569051645 /nfs/dbraw/zinc/05/16/45/569051645.db2.gz BWCLLWVXGFJMIO-KRWDZBQOSA-N -2 3 411.841 4.072 50 0 HIAAHL COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)cc(OC)c1[O-] ZINC000006733051 569103743 /nfs/dbraw/zinc/10/37/43/569103743.db2.gz CKZDHVUJNKIACX-UHFFFAOYSA-N -2 3 405.410 4.021 50 0 HIAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962093 521651151 /nfs/dbraw/zinc/65/11/51/521651151.db2.gz LFKRITICWLQORL-UHFFFAOYSA-N -2 3 418.515 4.015 50 0 HIAAHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000008723362 557802584 /nfs/dbraw/zinc/80/25/84/557802584.db2.gz MIPCSLHFVVTMEA-UHFFFAOYSA-N -2 3 424.478 4.055 50 0 HIAAHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007334 558828063 /nfs/dbraw/zinc/82/80/63/558828063.db2.gz UDDFNSYRZVUZNX-UHFFFAOYSA-N -2 3 402.516 4.128 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253571 558921788 /nfs/dbraw/zinc/92/17/88/558921788.db2.gz AECVDEPGLXZQQY-UHFFFAOYSA-N -2 3 412.458 4.090 50 0 HIAAHL CCOc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc(OC)c3)n2)c1[O-] ZINC000013363592 569412119 /nfs/dbraw/zinc/41/21/19/569412119.db2.gz ZLCJKODDGAQGBL-UHFFFAOYSA-N -2 3 405.410 4.103 50 0 HIAAHL Cc1ccc(-c2n[n-]c3c2[C@@H](c2cccnc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746410 557377554 /nfs/dbraw/zinc/37/75/54/557377554.db2.gz MQXHVSXRMFWVGZ-JOCHJYFZSA-N -2 3 410.433 4.228 50 0 HIAAHL Cc1ccc(-c2[n-]nc3c2[C@@H](c2cccnc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746410 557377557 /nfs/dbraw/zinc/37/75/57/557377557.db2.gz MQXHVSXRMFWVGZ-JOCHJYFZSA-N -2 3 410.433 4.228 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253463 558921433 /nfs/dbraw/zinc/92/14/33/558921433.db2.gz OUILEZYPAAFHMJ-UHFFFAOYSA-N -2 3 424.522 4.439 50 0 HIAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)[n-]c1=S ZINC000101767074 560799824 /nfs/dbraw/zinc/79/98/24/560799824.db2.gz QEDCZJHXAQBNJR-MRXNPFEDSA-N -2 3 411.508 4.212 50 0 HIAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)[n-]c1=S ZINC000101767069 560799834 /nfs/dbraw/zinc/79/98/34/560799834.db2.gz QEDCZJHXAQBNJR-INIZCTEOSA-N -2 3 411.508 4.212 50 0 HIAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)[n-]c1=S ZINC000101767058 560799866 /nfs/dbraw/zinc/79/98/66/560799866.db2.gz BUQQTQJLYNAOFN-MRXNPFEDSA-N -2 3 411.508 4.212 50 0 HIAAHL Cc1occc1C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000022993333 558529508 /nfs/dbraw/zinc/52/95/08/558529508.db2.gz SQWSVNPWKLFPBV-UHFFFAOYSA-N -2 3 406.847 4.000 50 0 HIAAHL Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000033253447 558921588 /nfs/dbraw/zinc/92/15/88/558921588.db2.gz ULBDZJVTJVZVFS-UHFFFAOYSA-N -2 3 402.516 4.039 50 0 HIAAHL CCOc1cccc(-c2cc(C(=O)[O-])c3nc(-c4ccc(OC)cc4)[nH]c3n2)c1[O-] ZINC000011694753 559188343 /nfs/dbraw/zinc/18/83/43/559188343.db2.gz ZUKXKDUHOVBDGW-UHFFFAOYSA-N -2 3 405.410 4.103 50 0 HIAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000021883415 568758036 /nfs/dbraw/zinc/75/80/36/568758036.db2.gz FFUICHOOMNPWNH-UHFFFAOYSA-N -2 3 408.495 4.260 50 0 HIAAHL Cc1ccc(-c2csc3[n-]c(Cc4ccc(OCC(=O)[O-])cc4)nc(=O)c23)s1 ZINC000063579426 568990461 /nfs/dbraw/zinc/99/04/61/568990461.db2.gz CQPWOOWAXXPRCE-UHFFFAOYSA-N -2 3 412.492 4.076 50 0 HIAAHL O=C(CCc1ccco1)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000012821467 569005803 /nfs/dbraw/zinc/00/58/03/569005803.db2.gz IFXCIJXGTKSYNB-UHFFFAOYSA-N -2 3 420.874 4.011 50 0 HIAAHL O=C1[N-]C(c2ccccc2)=N[C@]1([N-]c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000012376074 558391835 /nfs/dbraw/zinc/39/18/35/558391835.db2.gz ICUAIUACARGJDZ-CQSZACIVSA-N -2 3 422.716 4.001 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1C ZINC000033007408 558827977 /nfs/dbraw/zinc/82/79/77/558827977.db2.gz FGIGDIMELNCVFN-UHFFFAOYSA-N -2 3 416.543 4.491 50 0 HIAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1C ZINC000033253464 558921519 /nfs/dbraw/zinc/92/15/19/558921519.db2.gz RPMBIIZXBBVFLJ-UHFFFAOYSA-N -2 3 424.522 4.439 50 0 HIAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1C ZINC000033007416 568510292 /nfs/dbraw/zinc/51/02/92/568510292.db2.gz HOPYUYIRMVKDPX-CQSZACIVSA-N -2 3 416.543 4.347 50 0 HIAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000033253511 558921666 /nfs/dbraw/zinc/92/16/66/558921666.db2.gz CHPRZOUILQPIAQ-UHFFFAOYSA-N -2 3 404.532 4.429 50 0 HIAAHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000007990190 568966862 /nfs/dbraw/zinc/96/68/62/568966862.db2.gz AQEISUSABGLCOU-CYBMUJFWSA-N -2 3 408.690 4.141 50 0 HIAAHL Cc1ccsc1C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000013019264 569051003 /nfs/dbraw/zinc/05/10/03/569051003.db2.gz VQJUVGYYGIKGRL-UHFFFAOYSA-N -2 3 422.915 4.469 50 0 HIAAHL O=C([O-])c1cc(-c2ccccc2[O-])nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492180 526342139 /nfs/dbraw/zinc/34/21/39/526342139.db2.gz XTKNIBZWTYHVOR-UHFFFAOYSA-N -2 3 410.227 4.458 50 0 HIAAHL COc1ccc(Cl)cc1-c1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)o1 ZINC000004452837 557555850 /nfs/dbraw/zinc/55/58/50/557555850.db2.gz IWJQLQTXOLBFAX-UHFFFAOYSA-N -2 3 414.849 4.263 50 0 HIAAHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253658 558921989 /nfs/dbraw/zinc/92/19/89/558921989.db2.gz VLIXGUNYVGNYLZ-UHFFFAOYSA-N -2 3 404.532 4.329 50 0 HIAAHL