smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)Nc2cccnc2)c1 ZINC000000792973 551542521 /nfs/dbraw/zinc/54/25/21/551542521.db2.gz IBBGHBKTIHFQNK-UHFFFAOYSA-N 0 2 511.195 4.660 40 0 KJABLN COc1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)ccc1OCc1ccccc1 ZINC000000944039 551588178 /nfs/dbraw/zinc/58/81/78/551588178.db2.gz FPMOGYUMRXEUTB-MZKRTTBSSA-N 0 2 522.570 4.605 40 0 KJABLN COc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccc(Cl)cc3Cl)cc2)nc(OC)n1 ZINC000001098004 551607934 /nfs/dbraw/zinc/60/79/34/551607934.db2.gz HUIWJDZNNWDBCJ-UHFFFAOYSA-N 0 2 525.414 4.563 40 0 KJABLN COc1cc(-c2ccc(NS(=O)(=O)c3ccccc3)c(OC)c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000001646597 551687884 /nfs/dbraw/zinc/68/78/84/551687884.db2.gz JZGUJRMBVLOALL-UHFFFAOYSA-N 0 2 524.620 4.972 40 0 KJABLN COc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003220641 552309853 /nfs/dbraw/zinc/30/98/53/552309853.db2.gz ZCRXQVCXPOVALF-UHFFFAOYSA-N 0 2 513.417 4.856 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000003259704 552325629 /nfs/dbraw/zinc/32/56/29/552325629.db2.gz HVKLOKJESWJNRF-UHFFFAOYSA-N 0 2 552.663 4.740 40 0 KJABLN COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000003310966 552351777 /nfs/dbraw/zinc/35/17/77/552351777.db2.gz YMCDLQVIFDMJCP-UHFFFAOYSA-N 0 2 525.612 4.598 40 0 KJABLN C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NS(=O)(=O)c4ccc5c(c4)CN(C(=O)C(F)(F)F)CC5)nc3[C@@H](C)[C@H]21 ZINC000004149988 552443217 /nfs/dbraw/zinc/44/32/17/552443217.db2.gz MOJFWSCGGIFNIK-PRQLHJGGSA-N 0 2 597.681 4.645 40 0 biogenic,in-vitro KJABLN COc1ccccc1/C=C(/NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000006088866 552530724 /nfs/dbraw/zinc/53/07/24/552530724.db2.gz HETQMQVRVCGPKM-HAVVHWLPSA-N 0 2 548.646 4.671 40 0 KJABLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Br)c(Br)s1 ZINC000006088993 552531092 /nfs/dbraw/zinc/53/10/92/552531092.db2.gz ZXYCRJZOGLQPDL-UHFFFAOYSA-N 0 2 523.253 4.783 40 0 KJABLN CCOc1ccc(-n2c(O)c3sc4nc(-c5cccs5)cc(C(F)(F)F)c4c(N)c-3c2=O)cc1 ZINC000008413044 553010113 /nfs/dbraw/zinc/01/01/13/553010113.db2.gz QDEFBQUILLYTFN-LJQANCHMSA-N 0 2 503.527 4.945 40 0 KJABLN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000012112460 553351431 /nfs/dbraw/zinc/35/14/31/553351431.db2.gz YFLLPTJDBPDGDS-UHFFFAOYSA-N 0 2 509.609 4.658 40 0 KJABLN COc1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000012112460 553351430 /nfs/dbraw/zinc/35/14/30/553351430.db2.gz YFLLPTJDBPDGDS-UHFFFAOYSA-N 0 2 509.609 4.658 40 0 KJABLN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000013679586 553483782 /nfs/dbraw/zinc/48/37/82/553483782.db2.gz FLEAXPVEWXZOIC-UHFFFAOYSA-N 0 2 513.622 4.602 40 0 KJABLN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000013682077 553484751 /nfs/dbraw/zinc/48/47/51/553484751.db2.gz VZMGGSXFOLAAHS-UHFFFAOYSA-N 0 2 505.621 4.774 40 0 KJABLN C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013781978 553490447 /nfs/dbraw/zinc/49/04/47/553490447.db2.gz YOBMIXIISZAQGF-CAYVGHNUSA-N 0 2 516.442 4.813 40 0 in-vitro KJABLN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Br)s1 ZINC000014223886 553506286 /nfs/dbraw/zinc/50/62/86/553506286.db2.gz KBNHGRHIYVWCKO-UHFFFAOYSA-N 0 2 507.840 4.766 40 0 KJABLN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C ZINC000015231439 553530075 /nfs/dbraw/zinc/53/00/75/553530075.db2.gz FVKBNKVWDRXRFQ-RGVLZGJSSA-N 0 2 509.559 4.755 40 0 KJABLN O=S(=O)(Nc1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000016757207 553581248 /nfs/dbraw/zinc/58/12/48/553581248.db2.gz PLPVASJGUXKJPU-UHFFFAOYSA-N 0 2 513.373 4.534 40 0 KJABLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)cc2)nc(C)n1 ZINC000016806085 553583195 /nfs/dbraw/zinc/58/31/95/553583195.db2.gz SHWVGVXCGDUTEB-UHFFFAOYSA-N 0 2 510.579 4.757 40 0 KJABLN CCOC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(SC)c(C(=O)N3CCCC3)c1)CCCC2 ZINC000026115165 553816181 /nfs/dbraw/zinc/81/61/81/553816181.db2.gz BQVHGNYXOLLZDH-UHFFFAOYSA-N 0 2 508.687 4.562 40 0 KJABLN CCOC(=O)c1c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)sc2c1CCCC2 ZINC000026116452 553816465 /nfs/dbraw/zinc/81/64/65/553816465.db2.gz JLYRTBRVUHSLJN-UHFFFAOYSA-N 0 2 522.714 4.952 40 0 KJABLN COC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(SC)c(C(=O)N3CCCCC3)c1)CCCC2 ZINC000026116459 553816535 /nfs/dbraw/zinc/81/65/35/553816535.db2.gz HANLFRZSMIHVCY-UHFFFAOYSA-N 0 2 508.687 4.562 40 0 KJABLN COC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(SC)c(C(=O)N3CCC(C)CC3)c1)CCCC2 ZINC000026119001 553817293 /nfs/dbraw/zinc/81/72/93/553817293.db2.gz HZMZHEFUPHKSKX-UHFFFAOYSA-N 0 2 522.714 4.808 40 0 KJABLN COC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(SC)c(C(=O)N3CCCCCC3)c1)CCCC2 ZINC000026120423 553817901 /nfs/dbraw/zinc/81/79/01/553817901.db2.gz VSDYGHUNICEEBJ-UHFFFAOYSA-N 0 2 522.714 4.952 40 0 KJABLN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cc3ccccc3Cl)c(=O)[nH]1)CCCC2 ZINC000027526201 553829984 /nfs/dbraw/zinc/82/99/84/553829984.db2.gz LYNQKKRABWJQLI-UHFFFAOYSA-N 0 2 519.048 4.669 40 0 KJABLN COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)=NC2=O)cc1 ZINC000028066383 553837458 /nfs/dbraw/zinc/83/74/58/553837458.db2.gz ZPYSEVNGMSQNMO-RPBOFIJWSA-N 0 2 514.607 4.882 40 0 KJABLN COc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)=NC2=O)cc1 ZINC000028066388 553837398 /nfs/dbraw/zinc/83/73/98/553837398.db2.gz ZPYSEVNGMSQNMO-JWQCQUIFSA-N 0 2 514.607 4.882 40 0 KJABLN COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)=NC2=O)cc1 ZINC000028066393 553837779 /nfs/dbraw/zinc/83/77/79/553837779.db2.gz ZPYSEVNGMSQNMO-DQEYMECFSA-N 0 2 514.607 4.882 40 0 KJABLN COc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)=NC2=O)cc1 ZINC000028066398 553837920 /nfs/dbraw/zinc/83/79/20/553837920.db2.gz ZPYSEVNGMSQNMO-LOSJGSFVSA-N 0 2 514.607 4.882 40 0 KJABLN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)[nH]c2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000031903708 553862008 /nfs/dbraw/zinc/86/20/08/553862008.db2.gz SEEIYUIQXAMFKC-UHFFFAOYSA-N 0 2 523.636 4.966 40 0 KJABLN COc1ccc(NC(=O)CSc2[nH]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000031903708 553862005 /nfs/dbraw/zinc/86/20/05/553862005.db2.gz SEEIYUIQXAMFKC-UHFFFAOYSA-N 0 2 523.636 4.966 40 0 KJABLN CCc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000059662965 554421095 /nfs/dbraw/zinc/42/10/95/554421095.db2.gz SBEUYIHTWADGOD-FMVCKAMOSA-N 0 2 532.604 4.863 40 0 KJABLN CCc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000059662972 554420979 /nfs/dbraw/zinc/42/09/79/554420979.db2.gz SBEUYIHTWADGOD-UFRMOSHKSA-N 0 2 532.604 4.863 40 0 KJABLN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(OC(C)=O)cc3)S2)cc1 ZINC000059690830 554424955 /nfs/dbraw/zinc/42/49/55/554424955.db2.gz HVQUUOGWRPSVJU-IZZNHLLZSA-N 0 2 542.617 4.798 40 0 KJABLN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(OC(C)=O)cc3)S2)cc1 ZINC000059690833 554424911 /nfs/dbraw/zinc/42/49/11/554424911.db2.gz HVQUUOGWRPSVJU-UIOOFZCWSA-N 0 2 542.617 4.798 40 0 KJABLN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(OC(C)=O)cc3)S2)cc1 ZINC000059690836 554424862 /nfs/dbraw/zinc/42/48/62/554424862.db2.gz HVQUUOGWRPSVJU-CLJLJLNGSA-N 0 2 542.617 4.798 40 0 KJABLN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(OC(C)=O)cc3)S2)cc1 ZINC000059690840 554424893 /nfs/dbraw/zinc/42/48/93/554424893.db2.gz HVQUUOGWRPSVJU-FTJBHMTQSA-N 0 2 542.617 4.798 40 0 KJABLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)cc2)n1 ZINC000059852763 554452645 /nfs/dbraw/zinc/45/26/45/554452645.db2.gz TXQRZYQORIKZKI-UHFFFAOYSA-N 0 2 572.068 4.601 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)ccc2C)cc1 ZINC000059853570 554454620 /nfs/dbraw/zinc/45/46/20/554454620.db2.gz AEXREMXTQACSSL-UHFFFAOYSA-N 0 2 565.677 4.564 40 0 KJABLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)n1 ZINC000059923007 554472946 /nfs/dbraw/zinc/47/29/46/554472946.db2.gz KNEQFYYFYIGRKQ-UHFFFAOYSA-N 0 2 572.068 4.601 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c2C)cc1 ZINC000059924040 554474709 /nfs/dbraw/zinc/47/47/09/554474709.db2.gz FKTHSWVFCHBSLE-UHFFFAOYSA-N 0 2 565.677 4.564 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c(Cl)c2)cc1 ZINC000059924156 554475024 /nfs/dbraw/zinc/47/50/24/554475024.db2.gz ANWHQPBGKSOHME-UHFFFAOYSA-N 0 2 557.053 4.897 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2)cc1 ZINC000060018079 554489080 /nfs/dbraw/zinc/48/90/80/554489080.db2.gz UJMDNPRIXCNTNL-UHFFFAOYSA-N 0 2 563.082 4.959 40 0 KJABLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3Cl)cc2)n1 ZINC000060018534 554489953 /nfs/dbraw/zinc/48/99/53/554489953.db2.gz SWOKNZKMDLCQRZ-UHFFFAOYSA-N 0 2 572.068 4.601 40 0 KJABLN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028260 554491786 /nfs/dbraw/zinc/49/17/86/554491786.db2.gz RABHSARUVZZZHQ-UHFFFAOYSA-N 0 2 606.513 4.727 40 0 KJABLN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000060028261 554491712 /nfs/dbraw/zinc/49/17/12/554491712.db2.gz XCSKDHOUISKUNL-RUZDIDTESA-N 0 2 569.749 4.717 40 0 KJABLN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000060028262 554491682 /nfs/dbraw/zinc/49/16/82/554491682.db2.gz XCSKDHOUISKUNL-VWLOTQADSA-N 0 2 569.749 4.717 40 0 KJABLN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc2Cl)c1 ZINC000060028280 554491687 /nfs/dbraw/zinc/49/16/87/554491687.db2.gz XRMHJCDWGGEHRT-UHFFFAOYSA-N 0 2 572.068 4.601 40 0 KJABLN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4C)c3)cc2)n1 ZINC000060028281 554491666 /nfs/dbraw/zinc/49/16/66/554491666.db2.gz YUOHDBYVZGJCNC-UHFFFAOYSA-N 0 2 586.095 4.909 40 0 KJABLN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc2Cl)c(C)c1 ZINC000060028306 554492135 /nfs/dbraw/zinc/49/21/35/554492135.db2.gz STYAMPBZDGVMPC-UHFFFAOYSA-N 0 2 572.068 4.601 40 0 KJABLN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2Cl)cc1 ZINC000060028534 554493127 /nfs/dbraw/zinc/49/31/27/554493127.db2.gz LCDXNCHLTJEKDU-UHFFFAOYSA-N 0 2 557.053 4.897 40 0 KJABLN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)ccc2Cl)c(C)c1 ZINC000060028557 554493453 /nfs/dbraw/zinc/49/34/53/554493453.db2.gz WHNUHRQUPFZXPJ-UHFFFAOYSA-N 0 2 586.095 4.909 40 0 KJABLN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4C)c3)cc2)n1 ZINC000060028590 554493774 /nfs/dbraw/zinc/49/37/74/554493774.db2.gz UVHLBUDBPHZJKK-UHFFFAOYSA-N 0 2 565.677 4.564 40 0 KJABLN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)cc2)n1 ZINC000060028660 554494314 /nfs/dbraw/zinc/49/43/14/554494314.db2.gz ISNNEBWEUSRLSP-UHFFFAOYSA-N 0 2 572.068 4.601 40 0 KJABLN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000060028762 554495244 /nfs/dbraw/zinc/49/52/44/554495244.db2.gz ONKMEMNWZAZSGU-UHFFFAOYSA-N 0 2 543.026 4.589 40 0 KJABLN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)ccc2Cl)c1 ZINC000060028809 554495641 /nfs/dbraw/zinc/49/56/41/554495641.db2.gz VJFOGFTVMJDGRM-UHFFFAOYSA-N 0 2 586.095 4.909 40 0 KJABLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000060028899 554496646 /nfs/dbraw/zinc/49/66/46/554496646.db2.gz JHFCIGRPMALPDU-UHFFFAOYSA-N 0 2 549.055 4.650 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2C)cc1 ZINC000060060126 554498452 /nfs/dbraw/zinc/49/84/52/554498452.db2.gz CSLWWIJYENEFRJ-UHFFFAOYSA-N 0 2 565.677 4.564 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c2)cc1 ZINC000060060499 554499525 /nfs/dbraw/zinc/49/95/25/554499525.db2.gz QGMPBVZIIJZIBL-UHFFFAOYSA-N 0 2 572.068 4.601 40 0 KJABLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4C)c3)cc2)n1 ZINC000060060594 554499889 /nfs/dbraw/zinc/49/98/89/554499889.db2.gz DRMBDBXGEFTMMY-UHFFFAOYSA-N 0 2 579.704 4.873 40 0 KJABLN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1Cl ZINC000060060737 554500447 /nfs/dbraw/zinc/50/04/47/554500447.db2.gz HSKCZHSGJZLDRM-UHFFFAOYSA-N 0 2 557.053 4.897 40 0 KJABLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c2)cc1 ZINC000060060835 554501121 /nfs/dbraw/zinc/50/11/21/554501121.db2.gz ASPIMNWHPKKINU-UHFFFAOYSA-N 0 2 586.095 4.909 40 0 KJABLN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000060060993 554501700 /nfs/dbraw/zinc/50/17/00/554501700.db2.gz RZEABILWZFWEON-UHFFFAOYSA-N 0 2 543.026 4.589 40 0 KJABLN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)ccc2C)c1 ZINC000060061031 554501636 /nfs/dbraw/zinc/50/16/36/554501636.db2.gz MRGVKZYEASBUFF-UHFFFAOYSA-N 0 2 565.677 4.564 40 0 KJABLN 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CCOc1cc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)c(OCC)c3)n2)ccc1Cl ZINC000101454140 554776232 /nfs/dbraw/zinc/77/62/32/554776232.db2.gz DQCGVTMWQNUPDK-UHFFFAOYSA-N 0 2 546.454 4.787 40 0 KJABLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)s1 ZINC000101538928 554795715 /nfs/dbraw/zinc/79/57/15/554795715.db2.gz VTMHWAOTHQPAKL-UHFFFAOYSA-N 0 2 538.101 4.896 40 0 KJABLN O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C(O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000101786952 554838727 /nfs/dbraw/zinc/83/87/27/554838727.db2.gz ZLHGPYDCTXLOSU-TXPKVOOTSA-N 0 2 515.307 4.875 40 0 KJABLN O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C(O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000101786958 554838709 /nfs/dbraw/zinc/83/87/09/554838709.db2.gz ZLHGPYDCTXLOSU-JTDSTZFVSA-N 0 2 515.307 4.875 40 0 KJABLN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O ZINC000102860691 555090909 /nfs/dbraw/zinc/09/09/09/555090909.db2.gz SMDIBZMTIKMSKW-WMVAVLGLSA-N 0 2 529.574 4.585 40 0 KJABLN COc1cc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2cccs2)ccc1OCc1ccccc1 ZINC000103170951 555325060 /nfs/dbraw/zinc/32/50/60/555325060.db2.gz FPMOGYUMRXEUTB-MIZPHKNDSA-N 0 2 522.570 4.605 40 0 KJABLN COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cn1-c1cc[nH+]c2cc(Cl)ccc21 ZINC000103233099 562818462 /nfs/dbraw/zinc/81/84/62/562818462.db2.gz OUZUXYQXCXYGMX-IBGZPJMESA-N 0 2 522.989 4.987 40 0 KJABLN COc1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)ccc1OCc1ccccc1 ZINC000103652027 555461002 /nfs/dbraw/zinc/46/10/02/555461002.db2.gz FPMOGYUMRXEUTB-VIZSFHNOSA-N 0 2 522.570 4.605 40 0 KJABLN Cc1ccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4ccc(C)cc4)c(=S)[nH]c3=O)c(=O)[nH]c2=S)cc1 ZINC000103770659 555474779 /nfs/dbraw/zinc/47/47/79/555474779.db2.gz PPIBTYATNHIPIC-UHFFFAOYSA-N 0 2 557.657 4.707 40 0 KJABLN Cc1ccccc1-n1c(O)c(C(c2ccccn2)c2c(O)n(-c3ccccc3C)c(=S)[nH]c2=O)c(=O)[nH]c1=S ZINC000103770664 555474777 /nfs/dbraw/zinc/47/47/77/555474777.db2.gz LSFCNWKVSFXJCE-UHFFFAOYSA-N 0 2 557.657 4.707 40 0 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COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)cc2)cc1 ZINC000106131268 571411375 /nfs/dbraw/zinc/41/13/75/571411375.db2.gz SXMHZVIWCBZYFV-UHFFFAOYSA-N 0 2 565.673 4.882 40 0 KJABLN O=C1S/C(=C\c2cc(Br)c(O)c(Br)c2O)C(=O)N1Cc1ccccc1F ZINC000106697623 571414181 /nfs/dbraw/zinc/41/41/81/571414181.db2.gz KOALMJGULFHBRV-SDQBBNPISA-N 0 2 503.143 4.998 40 0 KJABLN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(O)c(Br)c2)C1=O)Nc1ccccc1 ZINC000106711074 571415212 /nfs/dbraw/zinc/41/52/12/571415212.db2.gz LRJRRZYPGUTWGF-ZSOIEALJSA-N 0 2 512.179 4.592 40 0 KJABLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000108243026 571422956 /nfs/dbraw/zinc/42/29/56/571422956.db2.gz DMJXYGTWJKWZEC-QHCPKHFHSA-N 0 2 540.648 4.563 40 0 KJABLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000108243029 571422971 /nfs/dbraw/zinc/42/29/71/571422971.db2.gz DMJXYGTWJKWZEC-HSZRJFAPSA-N 0 2 540.648 4.563 40 0 KJABLN Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000108254182 571422897 /nfs/dbraw/zinc/42/28/97/571422897.db2.gz MVZTUJAUSKWUHA-UHFFFAOYSA-N 0 2 577.109 4.740 40 0 KJABLN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1Cl ZINC000108341188 571423503 /nfs/dbraw/zinc/42/35/03/571423503.db2.gz CIJPPUIMRISOAD-UHFFFAOYSA-N 0 2 563.082 4.959 40 0 KJABLN COc1cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(OC)c1O ZINC000108423363 1067214468 /nfs/dbraw/zinc/21/44/68/1067214468.db2.gz XHVGYFSEKVAGQG-UHFFFAOYSA-N 0 2 512.566 4.989 40 0 KJABLN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000109143213 571428596 /nfs/dbraw/zinc/42/85/96/571428596.db2.gz UYDWJFKSKROUAK-UHFFFAOYSA-N 0 2 567.645 4.558 40 0 KJABLN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2Cl)c1 ZINC000110371151 571431215 /nfs/dbraw/zinc/43/12/15/571431215.db2.gz FYMLUZLCOPASDG-UHFFFAOYSA-N 0 2 563.082 4.959 40 0 KJABLN 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572073677 /nfs/dbraw/zinc/07/36/77/572073677.db2.gz MHTQIARRISPQDU-UHFFFAOYSA-N 0 2 513.091 4.919 40 0 KJABLN CSc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1C(=O)N1CCCCCC1 ZINC000225840632 572075358 /nfs/dbraw/zinc/07/53/58/572075358.db2.gz WZECQYTXSJZVJZ-UHFFFAOYSA-N 0 2 500.737 4.825 40 0 KJABLN COC(=O)C1=C(NC(=S)N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC)C[C@@H]2C)S[C@@H]2CCCCC[C@H]12 ZINC000253387780 572282745 /nfs/dbraw/zinc/28/27/45/572282745.db2.gz RWHJQRLURFQVQQ-SGXKBVARSA-N 0 2 644.791 4.648 40 0 KJABLN Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@]2(CO[C@H]3c4ccccc4O[C@](C)(CCC(=O)[O-])[C@@H]3C2)C1 ZINC000257249203 572310922 /nfs/dbraw/zinc/31/09/22/572310922.db2.gz JHGWJGCSPGIDMU-JMFHHTCZSA-N 0 2 517.626 4.747 40 0 KJABLN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261362422 572104276 /nfs/dbraw/zinc/10/42/76/572104276.db2.gz KATDCFVJSLEHKC-KRWDZBQOSA-O 0 2 525.246 4.842 40 0 KJABLN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261362423 572104232 /nfs/dbraw/zinc/10/42/32/572104232.db2.gz KATDCFVJSLEHKC-QGZVFWFLSA-O 0 2 525.246 4.842 40 0 KJABLN CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cc(Br)ccc1OCC(=O)[O-] ZINC000261362934 572104683 /nfs/dbraw/zinc/10/46/83/572104683.db2.gz FLEDIUPNPBWZNP-FQEVSTJZSA-O 0 2 597.309 4.990 40 0 KJABLN CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cc(Br)ccc1OCC(=O)[O-] ZINC000261362940 572104625 /nfs/dbraw/zinc/10/46/25/572104625.db2.gz FLEDIUPNPBWZNP-HXUWFJFHSA-O 0 2 597.309 4.990 40 0 KJABLN COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1OCC(=O)[O-] ZINC000261363355 572105139 /nfs/dbraw/zinc/10/51/39/572105139.db2.gz GYFIHYHKJHNTCJ-DEOSSOPVSA-O 0 2 538.005 4.527 40 0 KJABLN COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1OCC(=O)[O-] ZINC000261363356 572105081 /nfs/dbraw/zinc/10/50/81/572105081.db2.gz GYFIHYHKJHNTCJ-XMMPIXPASA-O 0 2 538.005 4.527 40 0 KJABLN O=C([O-])COc1ccccc1[C@@H]1Nc2ccccc2-c2c(=O)[nH]c(SCc3ccc(Cl)cc3)n[n+]21 ZINC000261363511 572105270 /nfs/dbraw/zinc/10/52/70/572105270.db2.gz HGSHLJJHEPMRDS-HSZRJFAPSA-O 0 2 507.979 4.518 40 0 KJABLN O=C([O-])COc1ccccc1[C@H]1Nc2ccccc2-c2c(=O)[nH]c(SCc3ccc(Cl)cc3)n[n+]21 ZINC000261363512 572105302 /nfs/dbraw/zinc/10/53/02/572105302.db2.gz HGSHLJJHEPMRDS-QHCPKHFHSA-O 0 2 507.979 4.518 40 0 KJABLN O=C([O-])COc1ccc(Br)cc1[C@@H]1Nc2ccccc2-c2c(=O)[nH]c(SCc3ccccc3)n[n+]21 ZINC000261363618 572105841 /nfs/dbraw/zinc/10/58/41/572105841.db2.gz UHTFGXJZTNNTDY-HSZRJFAPSA-O 0 2 552.430 4.627 40 0 KJABLN O=C([O-])COc1ccc(Br)cc1[C@H]1Nc2ccccc2-c2c(=O)[nH]c(SCc3ccccc3)n[n+]21 ZINC000261363619 572105964 /nfs/dbraw/zinc/10/59/64/572105964.db2.gz UHTFGXJZTNNTDY-QHCPKHFHSA-O 0 2 552.430 4.627 40 0 KJABLN CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261363891 572105856 /nfs/dbraw/zinc/10/58/56/572105856.db2.gz YHMHMGJBSYEIFL-HNNXBMFYSA-O 0 2 576.088 4.824 40 0 KJABLN CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261363892 572105931 /nfs/dbraw/zinc/10/59/31/572105931.db2.gz YHMHMGJBSYEIFL-OAHLLOKOSA-O 0 2 576.088 4.824 40 0 KJABLN COc1cccc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)c1OCC(=O)[O-] ZINC000261364737 572106875 /nfs/dbraw/zinc/10/68/75/572106875.db2.gz NJQXBJNNMZYJDY-DEOSSOPVSA-O 0 2 538.005 4.527 40 0 KJABLN COc1cccc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)c1OCC(=O)[O-] ZINC000261364738 572107055 /nfs/dbraw/zinc/10/70/55/572107055.db2.gz NJQXBJNNMZYJDY-XMMPIXPASA-O 0 2 538.005 4.527 40 0 KJABLN COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1OCC(=O)[O-] ZINC000261365148 572107238 /nfs/dbraw/zinc/10/72/38/572107238.db2.gz QJKDUHSZHMELAM-DEOSSOPVSA-O 0 2 538.005 4.527 40 0 KJABLN COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1OCC(=O)[O-] ZINC000261365149 572107179 /nfs/dbraw/zinc/10/71/79/572107179.db2.gz QJKDUHSZHMELAM-XMMPIXPASA-O 0 2 538.005 4.527 40 0 KJABLN CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000261365655 572108035 /nfs/dbraw/zinc/10/80/35/572108035.db2.gz UKRILHPBRMHTEE-IBGZPJMESA-O 0 2 502.414 4.852 40 0 KJABLN CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000261365656 572107759 /nfs/dbraw/zinc/10/77/59/572107759.db2.gz UKRILHPBRMHTEE-LJQANCHMSA-O 0 2 502.414 4.852 40 0 KJABLN Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@@H]3c2cc(Br)ccc2OCC(=O)[O-])cc1 ZINC000261365889 572108464 /nfs/dbraw/zinc/10/84/64/572108464.db2.gz WAUGVMMPZVMQJF-DEOSSOPVSA-O 0 2 566.457 4.936 40 0 KJABLN Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@H]3c2cc(Br)ccc2OCC(=O)[O-])cc1 ZINC000261365890 572108654 /nfs/dbraw/zinc/10/86/54/572108654.db2.gz WAUGVMMPZVMQJF-XMMPIXPASA-O 0 2 566.457 4.936 40 0 KJABLN CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261366309 572109181 /nfs/dbraw/zinc/10/91/81/572109181.db2.gz YTBDUECOZZKDDC-GOSISDBHSA-O 0 2 618.125 4.765 40 0 KJABLN CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261366310 572109231 /nfs/dbraw/zinc/10/92/31/572109231.db2.gz YTBDUECOZZKDDC-SFHVURJKSA-O 0 2 618.125 4.765 40 0 KJABLN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C=O)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299888234 572140676 /nfs/dbraw/zinc/14/06/76/572140676.db2.gz BBNQHOMJRFAQBN-MLMMFLLNSA-N 0 2 725.788 4.567 40 0 KJABLN O=C([O-])CNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328958449 572146235 /nfs/dbraw/zinc/14/62/35/572146235.db2.gz AOMBZNLWQIVBPD-UHFFFAOYSA-N 0 2 522.789 4.678 40 0 KJABLN Cc1cc(Br)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCC(=O)[O-])n1 ZINC000328969945 572147597 /nfs/dbraw/zinc/14/75/97/572147597.db2.gz DGZYMMJCULBAIJ-UHFFFAOYSA-N 0 2 511.298 4.505 40 0 KJABLN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCC(=O)[O-])n1 ZINC000328982212 572147361 /nfs/dbraw/zinc/14/73/61/572147361.db2.gz GYNQSSBFUWKRCJ-UHFFFAOYSA-N 0 2 502.371 5.489 40 0 KJABLN O=C([O-])CNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329017349 572149597 /nfs/dbraw/zinc/14/95/97/572149597.db2.gz NKXWQJPRQXNBQF-UHFFFAOYSA-N 0 2 506.790 4.798 40 0 KJABLN O=C([O-])CNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329040766 572150324 /nfs/dbraw/zinc/15/03/24/572150324.db2.gz SFDLCCCNWFXMMD-UHFFFAOYSA-N 0 2 551.241 4.907 40 0 KJABLN O=C([O-])CNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329065868 572151608 /nfs/dbraw/zinc/15/16/08/572151608.db2.gz XVNBZDBHHNQMOB-UHFFFAOYSA-N 0 2 504.412 4.738 40 0 KJABLN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1C ZINC000408544710 572216326 /nfs/dbraw/zinc/21/63/26/572216326.db2.gz IXFAFKUGJRCFJT-UHFFFAOYSA-N 0 2 542.664 4.614 40 0 KJABLN CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408546058 572221423 /nfs/dbraw/zinc/22/14/23/572221423.db2.gz PXHMHAXGAQAIDQ-UHFFFAOYSA-N 0 2 570.718 4.649 40 0 KJABLN CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(C(=O)[O-])(c3ccccc3)CC2)c(C(=O)Nc2ccccc2)c1C ZINC000408546335 572222779 /nfs/dbraw/zinc/22/27/79/572222779.db2.gz HDLHBGFZYVMLGA-UHFFFAOYSA-N 0 2 549.649 4.542 40 0 KJABLN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2C)c1 ZINC000408546452 572223376 /nfs/dbraw/zinc/22/33/76/572223376.db2.gz SRZFPPFNJNQGEH-UHFFFAOYSA-N 0 2 556.691 4.922 40 0 KJABLN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2C)cc1C ZINC000408546562 572223747 /nfs/dbraw/zinc/22/37/47/572223747.db2.gz UJUZKNYYBRISGS-UHFFFAOYSA-N 0 2 556.691 4.922 40 0 KJABLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000408546811 572224161 /nfs/dbraw/zinc/22/41/61/572224161.db2.gz WEURIHUIVZGCKJ-UHFFFAOYSA-N 0 2 581.672 4.866 40 0 KJABLN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000408546909 572224470 /nfs/dbraw/zinc/22/44/70/572224470.db2.gz WVHFQZLCDKVUOT-UHFFFAOYSA-N 0 2 551.646 4.858 40 0 KJABLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccccc4)c3)cc2)c1 ZINC000408549019 572230387 /nfs/dbraw/zinc/23/03/87/572230387.db2.gz VSSCQBIXDIUHGR-UHFFFAOYSA-N 0 2 581.672 4.866 40 0 KJABLN CCOc1c(Br)cc(Br)cc1C[NH2+]c1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000408567832 572254530 /nfs/dbraw/zinc/25/45/30/572254530.db2.gz RSUNNQLSXMNEOE-UHFFFAOYSA-N 0 2 514.214 4.757 40 0 KJABLN CCOC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(OC)c(C(=O)N3CCCCCC3)c1)CCCC2 ZINC000408693372 1066534468 /nfs/dbraw/zinc/53/44/68/1066534468.db2.gz QSCAPHVYKGAGHF-UHFFFAOYSA-N 0 2 520.673 4.629 40 0 KJABLN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1 ZINC000408701157 1066548568 /nfs/dbraw/zinc/54/85/68/1066548568.db2.gz SIVJHDFGWWNYTE-UHFFFAOYSA-N 0 2 574.731 4.743 40 0 KJABLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)c1 ZINC000408711162 1066557613 /nfs/dbraw/zinc/55/76/13/1066557613.db2.gz ALJWQXUYYWNNHC-UHFFFAOYSA-N 0 2 567.645 4.558 40 0 KJABLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(C)c3)cc2)c1 ZINC000408711188 1066557644 /nfs/dbraw/zinc/55/76/44/1066557644.db2.gz FZFNLACOQZXHMU-UHFFFAOYSA-N 0 2 581.672 4.866 40 0 KJABLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)cc2)c1 ZINC000408711224 1066558108 /nfs/dbraw/zinc/55/81/08/1066558108.db2.gz JKOXYMCVLHDAGM-UHFFFAOYSA-N 0 2 581.672 4.866 40 0 KJABLN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(C)c3)cc2)c(OC)c1 ZINC000408711497 1066555576 /nfs/dbraw/zinc/55/55/76/1066555576.db2.gz OMIJONHSLCTSBG-UHFFFAOYSA-N 0 2 581.672 4.866 40 0 KJABLN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000408714531 1066551479 /nfs/dbraw/zinc/55/14/79/1066551479.db2.gz AYDJYOZFEFCKFJ-UHFFFAOYSA-N 0 2 589.761 4.953 40 0 KJABLN COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCC4)c3)cc2)c(OC)c1 ZINC000408714610 1066552080 /nfs/dbraw/zinc/55/20/80/1066552080.db2.gz KALHWZNDSKBWLZ-UHFFFAOYSA-N 0 2 605.760 4.653 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