smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000014155080 555712769 /nfs/dbraw/zinc/71/27/69/555712769.db2.gz ZMPMXJXFRZTKTE-UHFFFAOYSA-N -2 3 462.618 4.627 40 0 JJABHL C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(c3c(cc1[O-])C(=O)N(CCCCC(=O)[O-])C3)O2 ZINC000514288105 560035509 /nfs/dbraw/zinc/03/55/09/560035509.db2.gz OPCQWQMQPFYESC-PBFCGZAFSA-N -2 3 485.621 4.510 40 0 biogenic,in-vitro JJABHL O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2c([n-]1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000008652847 562948526 /nfs/dbraw/zinc/94/85/26/562948526.db2.gz DLDRQYXWWLRNGZ-ZROIWOOFSA-N -2 3 458.330 4.582 40 0 JJABHL O=C([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617620 569950916 /nfs/dbraw/zinc/95/09/16/569950916.db2.gz GBHNTTCSVOVKHC-DHIUTWEWSA-N -2 3 457.511 4.923 40 0 JJABHL O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224617224 569950944 /nfs/dbraw/zinc/95/09/44/569950944.db2.gz LLEBNNAHPOKHOV-DHIUTWEWSA-N -2 3 457.511 4.923 40 0 JJABHL O=C([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224617367 569950956 /nfs/dbraw/zinc/95/09/56/569950956.db2.gz LLEBNNAHPOKHOV-GOTSBHOMSA-N -2 3 457.511 4.923 40 0 JJABHL CCCc1nc(SC(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)[O-])n[n-]1 ZINC000408631387 569982944 /nfs/dbraw/zinc/98/29/44/569982944.db2.gz IHLGNFKLKAXWME-MOSHPQCFSA-N -2 3 461.547 4.568 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1C(C)C ZINC000408678903 570011510 /nfs/dbraw/zinc/01/15/10/570011510.db2.gz JNLYFOVVZDLJQM-UHFFFAOYSA-N -2 3 474.604 4.729 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C ZINC000409116485 570134256 /nfs/dbraw/zinc/13/42/56/570134256.db2.gz NYQPCTMJTWLEQD-UHFFFAOYSA-N -2 3 480.995 4.567 40 0 JJABHL Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(=O)[O-])c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000105932989 569853575 /nfs/dbraw/zinc/85/35/75/569853575.db2.gz BRBAPCJGABJOIZ-UHFFFAOYSA-N -2 3 474.542 4.686 40 0 JJABHL CCn1c(S/C(=C\c2cc(Cl)ccc2[O-])C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632755 569983975 /nfs/dbraw/zinc/98/39/75/569983975.db2.gz KENFFQBYOHPQJT-ZDLGFXPLSA-N -2 3 461.927 4.559 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1C(C)C ZINC000408695930 570018183 /nfs/dbraw/zinc/01/81/83/570018183.db2.gz VGFOONCSBVFOCH-UHFFFAOYSA-N -2 3 474.604 4.729 40 0 JJABHL CCCC(=O)C(OC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1cccc(Cl)c1Cl)=C([O-])CCC ZINC000231932682 570046835 /nfs/dbraw/zinc/04/68/35/570046835.db2.gz PKRNNVCAQBOMEA-HXUWFJFHSA-N -2 3 496.387 4.963 40 0 JJABHL COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc(I)c1[O-] ZINC000408987972 570093040 /nfs/dbraw/zinc/09/30/40/570093040.db2.gz GNMPKWBFFXSIMI-UHFFFAOYSA-N -2 3 468.316 4.652 40 0 JJABHL COc1cc([C@@H]2c3c(-c4ccc(C)cc4)n[n-]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000002750999 554326109 /nfs/dbraw/zinc/32/61/09/554326109.db2.gz SSSOQEUVHUJZEC-XMMPIXPASA-N -2 3 455.470 4.547 40 0 JJABHL COc1cc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000002750999 554326110 /nfs/dbraw/zinc/32/61/10/554326110.db2.gz SSSOQEUVHUJZEC-XMMPIXPASA-N -2 3 455.470 4.547 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1Cl ZINC000014155105 555713027 /nfs/dbraw/zinc/71/30/27/555713027.db2.gz XQGDVIWFUFSCOX-UHFFFAOYSA-N -2 3 480.995 4.567 40 0 JJABHL C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)N(CCCCC(=O)[O-])C3)O2 ZINC000514288104 560035486 /nfs/dbraw/zinc/03/54/86/560035486.db2.gz OPCQWQMQPFYESC-MSYQQULLSA-N -2 3 485.621 4.510 40 0 biogenic,in-vitro JJABHL CCc1nc(SC(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)[O-])n[n-]1 ZINC000408630497 569982319 /nfs/dbraw/zinc/98/23/19/569982319.db2.gz ANGSFWXPLXHHJF-BOPFTXTBSA-N -2 3 460.353 4.926 40 0 JJABHL CCOc1c(Br)cc(Br)cc1C=C(Sc1n[n-]c(CC)n1)C(=O)[O-] ZINC000408630727 569982493 /nfs/dbraw/zinc/98/24/93/569982493.db2.gz CFXLBXKQXKSIFB-WDZFZDKYSA-N -2 3 477.178 4.509 40 0 JJABHL COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(Br)c1[O-] ZINC000408634774 569985248 /nfs/dbraw/zinc/98/52/48/569985248.db2.gz UIVRCVCRGZKWBN-ZSOIEALJSA-N -2 3 482.743 4.820 40 0 JJABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408922442 570077665 /nfs/dbraw/zinc/07/76/65/570077665.db2.gz AUNVKZXIYJIUSC-UHFFFAOYSA-N -2 3 450.969 4.558 40 0 JJABHL COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(Br)c1OCC(=O)[O-] ZINC000408997725 570095694 /nfs/dbraw/zinc/09/56/94/570095694.db2.gz HCQSWCQTGLOQSP-UHFFFAOYSA-N -2 3 493.379 4.957 40 0 JJABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009694968 555424706 /nfs/dbraw/zinc/42/47/06/555424706.db2.gz ZOOPBEKCFNRHGN-UHFFFAOYSA-N -2 3 464.996 4.700 40 0 JJABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)cc1C ZINC000009694969 555424829 /nfs/dbraw/zinc/42/48/29/555424829.db2.gz XTUNXFGYPBYNEZ-UHFFFAOYSA-N -2 3 464.996 4.700 40 0 JJABHL O=S(=O)([N-]c1ccc(F)cc1)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000027529490 556290701 /nfs/dbraw/zinc/29/07/01/556290701.db2.gz UVRIPPYNGOFBME-UHFFFAOYSA-N -2 3 474.510 4.720 40 0 JJABHL C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(c3c(cc1[O-])C(=O)N(CCCCC(=O)[O-])C3)O2 ZINC000514288107 560035497 /nfs/dbraw/zinc/03/54/97/560035497.db2.gz OPCQWQMQPFYESC-UDIPLTSPSA-N -2 3 485.621 4.510 40 0 biogenic,in-vitro JJABHL CCOc1cc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000035147351 569675946 /nfs/dbraw/zinc/67/59/46/569675946.db2.gz ICVCFBNNRGSZFA-RUZDIDTESA-N -2 3 469.497 4.937 40 0 JJABHL CCOc1cc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000035147351 569675948 /nfs/dbraw/zinc/67/59/48/569675948.db2.gz ICVCFBNNRGSZFA-RUZDIDTESA-N -2 3 469.497 4.937 40 0 JJABHL COc1ccc(C(=O)c2[n-]n(-c3ccccc3)c3c([O-])n(-c4cc(Cl)ccc4Cl)c(=O)c2-3)cc1 ZINC000100354632 569757970 /nfs/dbraw/zinc/75/79/70/569757970.db2.gz BAEKZKFUOAAURM-IFMALSPDSA-N -2 3 494.334 4.619 40 0 JJABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000212809826 569876257 /nfs/dbraw/zinc/87/62/57/569876257.db2.gz WSOGQXBNBUXLIY-UHFFFAOYSA-N -2 3 450.969 4.558 40 0 JJABHL O=C([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224617428 569950934 /nfs/dbraw/zinc/95/09/34/569950934.db2.gz IUKLWLDRMLYUIN-DHIUTWEWSA-N -2 3 457.511 4.923 40 0 JJABHL CCc1nc(SC(=Cc2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408631614 569983062 /nfs/dbraw/zinc/98/30/62/569983062.db2.gz KSYVBELXJOTMLV-YVLHZVERSA-N -3 3 489.937 4.524 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1Cl ZINC000408548467 570194213 /nfs/dbraw/zinc/19/42/13/570194213.db2.gz SELRNDFTBCFHPM-UHFFFAOYSA-N -2 3 480.995 4.567 40 0 JJABHL COc1ccc(C(=O)c2[n-]n(-c3ccccc3)c3c([O-])n(-c4cc(Cl)ccc4Cl)c(=O)c2-3)cc1 ZINC000003849266 194364582 /nfs/dbraw/zinc/36/45/82/194364582.db2.gz BAEKZKFUOAAURM-UNMCSNQZSA-N -2 3 494.334 4.619 40 0 JJABHL O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000009210294 554979844 /nfs/dbraw/zinc/97/98/44/554979844.db2.gz CYGRNZCJXKWIRB-DSNGMDLFSA-N -2 3 464.477 4.589 40 0 JJABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)c1 ZINC000009694962 555424754 /nfs/dbraw/zinc/42/47/54/555424754.db2.gz FOJZDJVOVTZAFM-UHFFFAOYSA-N -2 3 464.996 4.700 40 0 JJABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1C ZINC000408906907 570070978 /nfs/dbraw/zinc/07/09/78/570070978.db2.gz KINAERBAJJHTLL-UHFFFAOYSA-N -2 3 495.420 4.668 40 0 JJABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000409131656 570140344 /nfs/dbraw/zinc/14/03/44/570140344.db2.gz KBVZILJIHBUYEK-UHFFFAOYSA-N -2 3 474.604 4.530 40 0 JJABHL O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccccc1[O-] ZINC000408541735 570191599 /nfs/dbraw/zinc/19/15/99/570191599.db2.gz DHWURBSOVIKSRA-UHFFFAOYSA-N -2 3 497.374 4.839 40 0 JJABHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N-]S(=O)(=O)c3ccc(CC)cc3)c2)cc1 ZINC000016162055 524016683 /nfs/dbraw/zinc/01/66/83/524016683.db2.gz QHNLJPACBPHMJD-UHFFFAOYSA-N -2 3 458.605 4.721 40 0 JJABHL O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)c1ccc([O-])cc1 ZINC000059417597 569602782 /nfs/dbraw/zinc/60/27/82/569602782.db2.gz JBVKQGMBGKBCCM-UHFFFAOYSA-N -2 3 456.570 4.778 40 0 JJABHL O=S(=O)([N-]c1nccs1)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000038753865 569806723 /nfs/dbraw/zinc/80/67/23/569806723.db2.gz FWBMZJZTMRFVEA-UHFFFAOYSA-N -2 3 487.584 4.537 40 0 JJABHL O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224617313 569950954 /nfs/dbraw/zinc/95/09/54/569950954.db2.gz LLEBNNAHPOKHOV-XZOQPEGZSA-N -2 3 457.511 4.923 40 0 JJABHL O=C([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224617479 569950983 /nfs/dbraw/zinc/95/09/83/569950983.db2.gz IUKLWLDRMLYUIN-PKTZIBPZSA-N -2 3 457.511 4.923 40 0 JJABHL CCCc1nc(SC(=Cc2cc(Br)cc(Br)c2OCC)C(=O)[O-])n[n-]1 ZINC000408631366 569983004 /nfs/dbraw/zinc/98/30/04/569983004.db2.gz HYUBXIZXJACMMJ-GHXNOFRVSA-N -2 3 491.205 4.899 40 0 JJABHL CCc1nc(SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)[O-])n[n-]1 ZINC000408631854 569983325 /nfs/dbraw/zinc/98/33/25/569983325.db2.gz MHQWSZDJFXUMOF-BOPFTXTBSA-N -2 3 460.353 4.926 40 0 JJABHL COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C(=O)[O-])o1 ZINC000408632425 569983750 /nfs/dbraw/zinc/98/37/50/569983750.db2.gz ITQWGYNCXIEDKA-CHHVJCJISA-N -2 3 469.302 4.984 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1F ZINC000408693601 570016308 /nfs/dbraw/zinc/01/63/08/570016308.db2.gz ASWHPYQNSPBGJJ-UHFFFAOYSA-N -2 3 486.546 4.589 40 0 JJABHL CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C(=O)[O-])cc1 ZINC000033695887 520882524 /nfs/dbraw/zinc/88/25/24/520882524.db2.gz OPXAHFXFFJHGIH-SDHSZQHLSA-N -2 3 486.524 4.615 40 0 JJABHL O=C(C=C([O-])c1ccccc1)C=C([O-])c1ccc(C([O-])=CC(=O)C=C([O-])c2ccccc2)cc1 ZINC000004878300 526320639 /nfs/dbraw/zinc/32/06/39/526320639.db2.gz NVISZNPRCZVECN-UHFFFAOYSA-N -4 3 454.478 4.516 40 0 JJABHL O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2c([n-]1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000008652848 527433721 /nfs/dbraw/zinc/43/37/21/527433721.db2.gz DLDRQYXWWLRNGZ-NTEUORMPSA-N -2 3 458.330 4.582 40 0 JJABHL Cc1ccc2c(c1)nc1n2[C@@H](CN(Cc2ccc(C(=O)[O-])cc2)Cc2ccc(C(=O)[O-])cc2)COC1 ZINC000096112417 560060619 /nfs/dbraw/zinc/06/06/19/560060619.db2.gz SURMJUARGSRXEZ-QHCPKHFHSA-N -2 3 485.540 4.515 40 0 biogenic,in-vitro JJABHL COc1ccc([C@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147346 569675929 /nfs/dbraw/zinc/67/59/29/569675929.db2.gz IZYIHFPSCHKROU-VWLOTQADSA-N -2 3 469.497 4.850 40 0 JJABHL COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147346 569675931 /nfs/dbraw/zinc/67/59/31/569675931.db2.gz IZYIHFPSCHKROU-VWLOTQADSA-N -2 3 469.497 4.850 40 0 JJABHL COc1ccc([C@@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147316 569676035 /nfs/dbraw/zinc/67/60/35/569676035.db2.gz BMJMDNOJBCGHHU-XMMPIXPASA-N -2 3 455.470 4.542 40 0 JJABHL COc1ccc([C@@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147316 569676037 /nfs/dbraw/zinc/67/60/37/569676037.db2.gz BMJMDNOJBCGHHU-XMMPIXPASA-N -2 3 455.470 4.542 40 0 JJABHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(C)c1 ZINC000409126848 570138282 /nfs/dbraw/zinc/13/82/82/570138282.db2.gz GEGOQYBAFWHKEN-UHFFFAOYSA-N -2 3 464.996 4.867 40 0 JJABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000408546204 570193190 /nfs/dbraw/zinc/19/31/90/570193190.db2.gz CTEUKKAUXGSZSY-UHFFFAOYSA-N -2 3 469.009 4.664 40 0 JJABHL Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1)c1c(C)[n-][nH]c1=O ZINC000096193507 129984431 /nfs/dbraw/zinc/98/44/31/129984431.db2.gz VMHOAQDVQBVXSX-UHFFFAOYSA-N -2 3 470.913 4.820 40 0 JJABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(OCc2ccc(Br)cc2)c1 ZINC000014134635 555703004 /nfs/dbraw/zinc/70/30/04/555703004.db2.gz ZKWDFMBWAQRAMW-UHFFFAOYSA-N -2 3 469.339 4.683 40 0 JJABHL CCc1nc(SC(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408630530 569982348 /nfs/dbraw/zinc/98/23/48/569982348.db2.gz BDBVGBBVKRXWKD-WQRHYEAKSA-N -2 3 490.379 4.935 40 0 JJABHL CCCc1nc(SC(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)[O-])n[n-]1 ZINC000408631333 569982814 /nfs/dbraw/zinc/98/28/14/569982814.db2.gz HQOXIWZQVULVJI-NDENLUEZSA-N -2 3 479.537 4.708 40 0 JJABHL CCn1c(S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634893 569985405 /nfs/dbraw/zinc/98/54/05/569985405.db2.gz XSOBEXLLVNNKOE-LSCVHKIXSA-N -2 3 491.953 4.568 40 0 JJABHL O=C([O-])c1ccc(-c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(Br)cc3)c2)o1 ZINC000226353233 570037573 /nfs/dbraw/zinc/03/75/73/570037573.db2.gz WESKVGBIZVHCTP-UHFFFAOYSA-N -2 3 456.701 4.862 40 0 JJABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409129505 570139569 /nfs/dbraw/zinc/13/95/69/570139569.db2.gz GSQNWKXSDCCVNU-UHFFFAOYSA-N -2 3 480.995 4.649 40 0 JJABHL COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)c(Br)c1[O-] ZINC000016194706 521901449 /nfs/dbraw/zinc/90/14/49/521901449.db2.gz PIJLRHPNZFSAOL-UHFFFAOYSA-N -2 3 486.185 4.770 40 0 JJABHL Cc1cnc(NCCCCNc2ncc(C)c(-c3ccccc3O)n2)nc1-c1ccccc1[O-] ZINC000001578291 553979110 /nfs/dbraw/zinc/97/91/10/553979110.db2.gz RGVUQNQWINUCTH-UHFFFAOYSA-N -2 3 456.550 4.933 40 0 JJABHL Cc1cnc(NCCCCNc2ncc(C)c(-c3ccccc3[O-])n2)nc1-c1ccccc1[O-] ZINC000001578291 553979112 /nfs/dbraw/zinc/97/91/12/553979112.db2.gz RGVUQNQWINUCTH-UHFFFAOYSA-N -2 3 456.550 4.933 40 0 JJABHL CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C(=O)[O-])cc1 ZINC000009347686 555113639 /nfs/dbraw/zinc/11/36/39/555113639.db2.gz OPXAHFXFFJHGIH-GVAUOCQISA-N -2 3 486.524 4.615 40 0 JJABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000012482645 555986105 /nfs/dbraw/zinc/98/61/05/555986105.db2.gz SYFYQNUBGSUTDF-UHFFFAOYSA-N -2 3 450.969 4.558 40 0 JJABHL COc1ccc([C@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147318 569675969 /nfs/dbraw/zinc/67/59/69/569675969.db2.gz BMJMDNOJBCGHHU-DEOSSOPVSA-N -2 3 455.470 4.542 40 0 JJABHL COc1ccc([C@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147318 569675970 /nfs/dbraw/zinc/67/59/70/569675970.db2.gz BMJMDNOJBCGHHU-DEOSSOPVSA-N -2 3 455.470 4.542 40 0 JJABHL CCc1nc(SC(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)[O-])n[n-]1 ZINC000408633341 569984467 /nfs/dbraw/zinc/98/44/67/569984467.db2.gz XUHIJPUDUWTEIR-BOPFTXTBSA-N -2 3 460.353 4.926 40 0 JJABHL CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc(I)c1[O-] ZINC000408634648 569985311 /nfs/dbraw/zinc/98/53/11/569985311.db2.gz TWQNCXSOJBNQJI-DHDCSXOGSA-N -2 3 483.283 4.755 40 0 JJABHL COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)c(Br)c(Br)c1[O-] ZINC000408735031 570030066 /nfs/dbraw/zinc/03/00/66/570030066.db2.gz MNVDNMFZQOHJOP-UHFFFAOYSA-N -2 3 460.147 4.920 40 0 JJABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408908612 570071572 /nfs/dbraw/zinc/07/15/72/570071572.db2.gz WQMZYTDYWZSXGT-UHFFFAOYSA-N -2 3 490.912 4.960 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(Cl)c1Cl ZINC000409138506 570143322 /nfs/dbraw/zinc/14/33/22/570143322.db2.gz CVUUJJKBVHUGFX-UHFFFAOYSA-N -2 3 487.386 4.604 40 0 JJABHL CCOP(=O)(N=C([S-])Nc1ccccc1NC([S-])=NP(=O)(OCC)OCC)OCC ZINC000004773697 520242484 /nfs/dbraw/zinc/24/24/84/520242484.db2.gz HSKXZZHDZZJKBY-UHFFFAOYSA-N -2 3 498.504 4.622 40 0 JJABHL CCOP(=O)(N=C([S-])Nc1ccccc1NC(=S)[N-]P(=O)(OCC)OCC)OCC ZINC000004773697 520242495 /nfs/dbraw/zinc/24/24/95/520242495.db2.gz HSKXZZHDZZJKBY-UHFFFAOYSA-N -2 3 498.504 4.622 40 0 JJABHL CCOP(=O)([N-]C(=S)Nc1ccccc1NC(=S)[N-]P(=O)(OCC)OCC)OCC ZINC000004773697 520242501 /nfs/dbraw/zinc/24/25/01/520242501.db2.gz HSKXZZHDZZJKBY-UHFFFAOYSA-N -2 3 498.504 4.622 40 0 JJABHL COc1cc([C@H]2c3c(-c4ccc(C)cc4)n[n-]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000002750998 554326146 /nfs/dbraw/zinc/32/61/46/554326146.db2.gz SSSOQEUVHUJZEC-DEOSSOPVSA-N -2 3 455.470 4.547 40 0 JJABHL COc1cc([C@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000002750998 554326149 /nfs/dbraw/zinc/32/61/49/554326149.db2.gz SSSOQEUVHUJZEC-DEOSSOPVSA-N -2 3 455.470 4.547 40 0 JJABHL CCOc1cc([C@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000009679102 555403658 /nfs/dbraw/zinc/40/36/58/555403658.db2.gz TVOLFSJLDHOTOO-DEOSSOPVSA-N -2 3 455.470 4.629 40 0 JJABHL CCOc1cc([C@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000009679102 555403662 /nfs/dbraw/zinc/40/36/62/555403662.db2.gz TVOLFSJLDHOTOO-DEOSSOPVSA-N -2 3 455.470 4.629 40 0 JJABHL CCOc1cc([C@@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000009679101 555403847 /nfs/dbraw/zinc/40/38/47/555403847.db2.gz TVOLFSJLDHOTOO-XMMPIXPASA-N -2 3 455.470 4.629 40 0 JJABHL CCOc1cc([C@@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000009679101 555403850 /nfs/dbraw/zinc/40/38/50/555403850.db2.gz TVOLFSJLDHOTOO-XMMPIXPASA-N -2 3 455.470 4.629 40 0 JJABHL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000009694971 555424722 /nfs/dbraw/zinc/42/47/22/555424722.db2.gz BMQVTIBODRBWQC-UHFFFAOYSA-N -2 3 471.387 4.736 40 0 JJABHL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000009694981 555425127 /nfs/dbraw/zinc/42/51/27/555425127.db2.gz UFDZGTBQTVJTEN-UHFFFAOYSA-N -2 3 471.387 4.736 40 0 JJABHL O=c1cc(COc2ccc(Cl)cc2Cl)[n-]c2nn(-c3nc4ccccc4s3)c([O-])c21 ZINC000010152701 555637374 /nfs/dbraw/zinc/63/73/74/555637374.db2.gz KUPYFPWPWSZTLZ-UHFFFAOYSA-N -2 3 459.314 4.503 40 0 JJABHL CCOc1cc([C@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000035147353 569676026 /nfs/dbraw/zinc/67/60/26/569676026.db2.gz ICVCFBNNRGSZFA-VWLOTQADSA-N -2 3 469.497 4.937 40 0 JJABHL CCOc1cc([C@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000035147353 569676028 /nfs/dbraw/zinc/67/60/28/569676028.db2.gz ICVCFBNNRGSZFA-VWLOTQADSA-N -2 3 469.497 4.937 40 0 JJABHL COc1ccc(C(=O)c2[n-]n(-c3ccccc3)c3c([O-])n(-c4cc(Cl)ccc4Cl)c(=O)c2-3)cc1 ZINC000100354637 569757903 /nfs/dbraw/zinc/75/79/03/569757903.db2.gz BAEKZKFUOAAURM-RBBKRZOGSA-N -2 3 494.334 4.619 40 0 JJABHL CCCc1nc(SC(=Cc2cc(Br)c(OC)c(Br)c2)C(=O)[O-])n[n-]1 ZINC000408631772 569983196 /nfs/dbraw/zinc/98/31/96/569983196.db2.gz LGXOWBHMUDFRBO-XFFZJAGNSA-N -2 3 477.178 4.509 40 0 JJABHL CCc1nc(SC(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)[O-])n[n-]1 ZINC000408632506 569983736 /nfs/dbraw/zinc/98/37/36/569983736.db2.gz QOPUXOVBEVSVJJ-BOPFTXTBSA-N -2 3 460.353 4.926 40 0 JJABHL CCCC(=O)c1c([O-])c(Cc2c([O-])c(C(=O)CCC)c(OC)c(C)c2O)c(O)c(C)c1OC ZINC000014681710 519881164 /nfs/dbraw/zinc/88/11/64/519881164.db2.gz ASBDWVACJRRBIZ-UHFFFAOYSA-N -2 3 460.523 4.699 40 0 biogenic,in-vitro JJABHL CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C(=O)[O-])cc1 ZINC000013811515 555628532 /nfs/dbraw/zinc/62/85/32/555628532.db2.gz OPXAHFXFFJHGIH-DSITVLBTSA-N -2 3 486.524 4.615 40 0 JJABHL COc1ccc(C(=O)c2[n-]n(-c3ccccc3)c3c([O-])n(-c4cc(Cl)ccc4Cl)c(=O)c2-3)cc1 ZINC000100354635 569757976 /nfs/dbraw/zinc/75/79/76/569757976.db2.gz BAEKZKFUOAAURM-IRLDBZIGSA-N -2 3 494.334 4.619 40 0 JJABHL O=C([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617672 569950920 /nfs/dbraw/zinc/95/09/20/569950920.db2.gz GBHNTTCSVOVKHC-PKTZIBPZSA-N -2 3 457.511 4.923 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1C(C)C ZINC000408694413 570016931 /nfs/dbraw/zinc/01/69/31/570016931.db2.gz GCZUNGDRDYPJPM-UHFFFAOYSA-N -2 3 474.604 4.729 40 0 JJABHL O=C([O-])COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1Br ZINC000408999911 570096162 /nfs/dbraw/zinc/09/61/62/570096162.db2.gz UACOZROOXAXWHW-UHFFFAOYSA-N -2 3 463.353 4.949 40 0 JJABHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(C)c1 ZINC000409128889 570139279 /nfs/dbraw/zinc/13/92/79/570139279.db2.gz HANUHBKCXANMSB-UHFFFAOYSA-N -2 3 458.605 4.830 40 0 JJABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)c1 ZINC000409146520 570147144 /nfs/dbraw/zinc/14/71/44/570147144.db2.gz TVWWZPCHIIRVIS-UHFFFAOYSA-N -2 3 458.605 4.830 40 0 JJABHL O=c1[n-]c(-c2cc(Br)c([O-])c(Br)c2[O-])nc2sc3c(c21)CCCC3 ZINC000409257291 570187026 /nfs/dbraw/zinc/18/70/26/570187026.db2.gz RYKFSUGBYFVMMQ-UHFFFAOYSA-N -3 3 472.158 4.879 40 0 JJABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1Cl ZINC000408545853 570193113 /nfs/dbraw/zinc/19/31/13/570193113.db2.gz ARISRGFIXTZOQT-UHFFFAOYSA-N -2 3 480.995 4.567 40 0 JJABHL O=S(=O)([N-]c1ccc(Cc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000000805419 193915910 /nfs/dbraw/zinc/91/59/10/193915910.db2.gz HEUIVQLXCNFVTA-UHFFFAOYSA-N -2 3 478.595 4.879 40 0 JJABHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000016227083 524691810 /nfs/dbraw/zinc/69/18/10/524691810.db2.gz BAYIXVULHOVQBQ-UHFFFAOYSA-N -2 3 487.386 4.604 40 0 JJABHL COc1ccc([C@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000035147339 569675870 /nfs/dbraw/zinc/67/58/70/569675870.db2.gz XBYUMBCOJSARAE-VWLOTQADSA-N -2 3 469.497 4.850 40 0 JJABHL COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000035147339 569675872 /nfs/dbraw/zinc/67/58/72/569675872.db2.gz XBYUMBCOJSARAE-VWLOTQADSA-N -2 3 469.497 4.850 40 0 JJABHL COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc([O-])c(Br)c2)C(=O)[O-])n[nH]1 ZINC000408631471 569982951 /nfs/dbraw/zinc/98/29/51/569982951.db2.gz JJFNBYJFHGDFGD-CHHVJCJISA-N -2 3 482.743 4.820 40 0 JJABHL CCCc1nc(SC(=Cc2cc(Br)cc(Br)c2OC)C(=O)[O-])n[n-]1 ZINC000408632237 569983562 /nfs/dbraw/zinc/98/35/62/569983562.db2.gz PEHRUALYTXTLBQ-WDZFZDKYSA-N -2 3 477.178 4.509 40 0 JJABHL CCc1nc(SC(=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633173 569984319 /nfs/dbraw/zinc/98/43/19/569984319.db2.gz WTRNZZVZFWLLLC-BOPFTXTBSA-N -2 3 490.379 4.935 40 0 JJABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000408907208 570071104 /nfs/dbraw/zinc/07/11/04/570071104.db2.gz MSDUKDDKBGIQRR-UHFFFAOYSA-N -2 3 450.969 4.558 40 0 JJABHL CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C(=O)[O-])cc1 ZINC000009347684 555113622 /nfs/dbraw/zinc/11/36/22/555113622.db2.gz OPXAHFXFFJHGIH-SDHOMARFSA-N -2 3 486.524 4.615 40 0 JJABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000014224952 555734698 /nfs/dbraw/zinc/73/46/98/555734698.db2.gz MWPDFUQHTMBUNW-UHFFFAOYSA-N -2 3 471.387 4.903 40 0 JJABHL O=C([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617763 569950941 /nfs/dbraw/zinc/95/09/41/569950941.db2.gz GBHNTTCSVOVKHC-GOTSBHOMSA-N -2 3 457.511 4.923 40 0 JJABHL O=C([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224617560 569950973 /nfs/dbraw/zinc/95/09/73/569950973.db2.gz IUKLWLDRMLYUIN-GOTSBHOMSA-N -2 3 457.511 4.923 40 0 JJABHL CCc1nc(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2Br)C(=O)[O-])n[n-]1 ZINC000408630476 569982369 /nfs/dbraw/zinc/98/23/69/569982369.db2.gz AAQDVTUVKRKCDH-ZDLGFXPLSA-N -2 3 490.379 4.935 40 0 JJABHL COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)ccc1F ZINC000408693949 570016505 /nfs/dbraw/zinc/01/65/05/570016505.db2.gz CQBVSDKTTXYVMB-UHFFFAOYSA-N -2 3 486.546 4.589 40 0 JJABHL Cc1sc2nc(-c3cc(Br)cc(I)c3[O-])[n-]c(=O)c2c1C ZINC000408734704 570030009 /nfs/dbraw/zinc/03/00/09/570030009.db2.gz IQFMICYXTOPABP-UHFFFAOYSA-N -2 3 477.121 4.753 40 0 JJABHL CCCC(=O)C(OC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1cccc(Cl)c1Cl)=C([O-])CCC ZINC000231932676 570046832 /nfs/dbraw/zinc/04/68/32/570046832.db2.gz PKRNNVCAQBOMEA-FQEVSTJZSA-N -2 3 496.387 4.963 40 0 JJABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000409115380 570133772 /nfs/dbraw/zinc/13/37/72/570133772.db2.gz RMELPPFYLPDJKI-UHFFFAOYSA-N -2 3 480.995 4.649 40 0 JJABHL Cc1ccc2nc3n(c2c1)[C@@H](CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(C(=O)[O-])cc1)COC3 ZINC000096112397 129959364 /nfs/dbraw/zinc/95/93/64/129959364.db2.gz LRKJKKSGRVSHSV-QHCPKHFHSA-N -2 3 485.540 4.515 40 0 biogenic,in-vitro JJABHL O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2[O-])C(=O)N1Cc1ccccc1 ZINC000106680403 569854507 /nfs/dbraw/zinc/85/45/07/569854507.db2.gz JKROUXLNYAYHDR-GHXNOFRVSA-N -2 3 485.153 4.859 40 0 JJABHL O=C([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224617514 569950923 /nfs/dbraw/zinc/95/09/23/569950923.db2.gz IUKLWLDRMLYUIN-XZOQPEGZSA-N -2 3 457.511 4.923 40 0 JJABHL C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)N(CCCCC(=O)[O-])C3)O2 ZINC000514288106 560035504 /nfs/dbraw/zinc/03/55/04/560035504.db2.gz OPCQWQMQPFYESC-QDVZZNMZSA-N -2 3 485.621 4.510 40 0 biogenic,in-vitro JJABHL COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147344 569675915 /nfs/dbraw/zinc/67/59/15/569675915.db2.gz IZYIHFPSCHKROU-RUZDIDTESA-N -2 3 469.497 4.850 40 0 JJABHL COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000035147344 569675916 /nfs/dbraw/zinc/67/59/16/569675916.db2.gz IZYIHFPSCHKROU-RUZDIDTESA-N -2 3 469.497 4.850 40 0 JJABHL COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000035147338 569676063 /nfs/dbraw/zinc/67/60/63/569676063.db2.gz XBYUMBCOJSARAE-RUZDIDTESA-N -2 3 469.497 4.850 40 0 JJABHL COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000035147338 569676064 /nfs/dbraw/zinc/67/60/64/569676064.db2.gz XBYUMBCOJSARAE-RUZDIDTESA-N -2 3 469.497 4.850 40 0 JJABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035225995 569678438 /nfs/dbraw/zinc/67/84/38/569678438.db2.gz KOKSJUCEJQTIHQ-UHFFFAOYSA-N -2 3 452.557 4.750 40 0 JJABHL O=C([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224617267 569950926 /nfs/dbraw/zinc/95/09/26/569950926.db2.gz LLEBNNAHPOKHOV-PKTZIBPZSA-N -2 3 457.511 4.923 40 0 JJABHL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000003100863 194225922 /nfs/dbraw/zinc/22/59/22/194225922.db2.gz JZOQRWQPLZBMRH-UHFFFAOYSA-N -2 3 458.605 4.830 40 0 JJABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000009694976 555425174 /nfs/dbraw/zinc/42/51/74/555425174.db2.gz XEVKIODKBJFHGQ-UHFFFAOYSA-N -2 3 464.996 4.700 40 0 JJABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000014154382 555711499 /nfs/dbraw/zinc/71/14/99/555711499.db2.gz UPUXGFNLTDYGJH-UHFFFAOYSA-N -2 3 462.618 4.627 40 0 JJABHL O=C([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617715 569950928 /nfs/dbraw/zinc/95/09/28/569950928.db2.gz GBHNTTCSVOVKHC-XZOQPEGZSA-N -2 3 457.511 4.923 40 0 JJABHL O=C([O-])C(=Cc1ccc([O-])c(Br)c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000408632700 569984081 /nfs/dbraw/zinc/98/40/81/569984081.db2.gz HCRBXSCDHJSPLC-ZSOIEALJSA-N -2 3 452.717 4.811 40 0 JJABHL COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc(Br)c1OCC(=O)[O-] ZINC000409000832 570096331 /nfs/dbraw/zinc/09/63/31/570096331.db2.gz YTAMWVZQXXNGLH-UHFFFAOYSA-N -2 3 479.352 4.567 40 0 JJABHL