smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc2c(=O)c1Oc1ccc(Br)cc1 ZINC000000627918 193858266 /nfs/dbraw/zinc/85/82/66/193858266.db2.gz DVCINDFOAVNTED-QFIPXVFZSA-N -1 0 552.377 4.847 40 0 KJABRM Cc1oc2cc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc2c(=O)c1Oc1ccc(Br)cc1 ZINC000000627921 551503955 /nfs/dbraw/zinc/50/39/55/551503955.db2.gz DVCINDFOAVNTED-JOCHJYFZSA-N -1 0 552.377 4.847 40 0 KJABRM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000000648050 551509399 /nfs/dbraw/zinc/50/93/99/551509399.db2.gz IESCYUIWYRKYHR-HVCNVCAESA-N -1 0 591.853 4.774 40 0 KJABRM O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000000792973 551542515 /nfs/dbraw/zinc/54/25/15/551542515.db2.gz IBBGHBKTIHFQNK-UHFFFAOYSA-N -1 0 511.195 4.660 40 0 KJABRM CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000928850 551580860 /nfs/dbraw/zinc/58/08/60/551580860.db2.gz ZMPORVJIZASADR-UHFFFAOYSA-N -1 0 515.563 4.635 40 0 KJABRM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938114 551587326 /nfs/dbraw/zinc/58/73/26/551587326.db2.gz NTPNRXAEMKYXKZ-IBDLBZOISA-N -1 0 576.861 4.832 40 0 KJABRM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938115 551587422 /nfs/dbraw/zinc/58/74/22/551587422.db2.gz NTPNRXAEMKYXKZ-AUIPBDMJSA-N -1 0 576.861 4.832 40 0 KJABRM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938116 551587537 /nfs/dbraw/zinc/58/75/37/551587537.db2.gz NTPNRXAEMKYXKZ-IOHHNLJHSA-N -1 0 576.861 4.832 40 0 KJABRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938117 551587535 /nfs/dbraw/zinc/58/75/35/551587535.db2.gz NTPNRXAEMKYXKZ-AQPAIEDISA-N -1 0 576.861 4.832 40 0 KJABRM COc1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1OCc1ccccc1 ZINC000000944039 551588174 /nfs/dbraw/zinc/58/81/74/551588174.db2.gz FPMOGYUMRXEUTB-MZKRTTBSSA-N -1 0 522.570 4.605 40 0 KJABRM COc1cc(-c2cc(-c3ccccc3O)nc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000001092304 551607215 /nfs/dbraw/zinc/60/72/15/551607215.db2.gz ZCKXAZUTLWMGHK-UHFFFAOYSA-N -1 0 507.568 4.651 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001096274 551607620 /nfs/dbraw/zinc/60/76/20/551607620.db2.gz GQVRJHCLHNUKEX-UHFFFAOYSA-N -1 0 565.673 4.882 40 0 KJABRM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCc3ccc(Cl)cc3Cl)cc2)nc(OC)n1 ZINC000001098004 551607929 /nfs/dbraw/zinc/60/79/29/551607929.db2.gz HUIWJDZNNWDBCJ-UHFFFAOYSA-N -1 0 525.414 4.563 40 0 KJABRM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1 ZINC000001324451 551642275 /nfs/dbraw/zinc/64/22/75/551642275.db2.gz DQGQOFCIEBWJKN-UHFFFAOYSA-N -1 0 531.926 4.647 40 0 KJABRM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC2)[nH]c3=O)c1 ZINC000001324523 551642152 /nfs/dbraw/zinc/64/21/52/551642152.db2.gz DLOKKBKGQNTYKI-UHFFFAOYSA-N -1 0 525.535 4.610 40 0 KJABRM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC2)[nH]c3=O)c1 ZINC000001324526 551642219 /nfs/dbraw/zinc/64/22/19/551642219.db2.gz LFSBRLQLLUOPNH-UHFFFAOYSA-N -1 0 518.621 4.867 40 0 KJABRM CCOc1cc(NC(=O)c2ccc(OC)cc2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000001324611 551642469 /nfs/dbraw/zinc/64/24/69/551642469.db2.gz AHJQUPUZPASTBG-UHFFFAOYSA-N -1 0 500.573 4.554 40 0 KJABRM COc1cc2nc(Cc3cccs3)n([N-]C(=O)c3c(C)nn(-c4ccccc4)c3Cl)c(=O)c2cc1OC ZINC000001365109 551648646 /nfs/dbraw/zinc/64/86/46/551648646.db2.gz SLGSIXGMGOQXEY-UHFFFAOYSA-N -1 0 536.013 4.597 40 0 KJABRM CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000001493885 551682986 /nfs/dbraw/zinc/68/29/86/551682986.db2.gz VIJCCFFEBCOOIE-QFIPXVFZSA-N -1 0 520.630 4.676 40 0 KJABRM COc1ccc2c(c1OC)C(=O)O[C@H]2c1cc([C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc(Br)c1O ZINC000001610409 551685846 /nfs/dbraw/zinc/68/58/46/551685846.db2.gz AIIKGLBDNFSTLU-FCHUYYIVSA-N -1 0 557.349 4.709 40 0 KJABRM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1cc(Br)c(O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000001610410 551685878 /nfs/dbraw/zinc/68/58/78/551685878.db2.gz AIIKGLBDNFSTLU-FGZHOGPDSA-N -1 0 557.349 4.709 40 0 KJABRM COc1ccc2c(c1OC)C(=O)O[C@H]2c1cc(Br)c(O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000001610411 551685912 /nfs/dbraw/zinc/68/59/12/551685912.db2.gz AIIKGLBDNFSTLU-VXKWHMMOSA-N -1 0 557.349 4.709 40 0 KJABRM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1cc(Br)c(O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000001610412 551685898 /nfs/dbraw/zinc/68/58/98/551685898.db2.gz AIIKGLBDNFSTLU-YADHBBJMSA-N -1 0 557.349 4.709 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3Nc3cccc(Cl)c3)cc2)n1 ZINC000001616104 551686228 /nfs/dbraw/zinc/68/62/28/551686228.db2.gz JZXRHPHGADAHCA-UHFFFAOYSA-N -1 0 508.991 4.939 40 0 KJABRM O=C([O-])[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567743 552130030 /nfs/dbraw/zinc/13/00/30/552130030.db2.gz RWRDEMGNKJZHKQ-WUFINQPMSA-N -1 0 523.589 4.693 40 0 KJABRM O=C([O-])[C@@H]1[C@H](C(=O)NCc2ccccc2)C2(Br)c3ccccc3C1(Br)c1ccccc12 ZINC000003059143 552281624 /nfs/dbraw/zinc/28/16/24/552281624.db2.gz GCGLGKMZCPDQRT-LCOIQBMYSA-N -1 0 541.239 4.924 40 0 KJABRM O=C([O-])[C@@H]1[C@@H](C(=O)NCc2ccccc2)C2(Br)c3ccccc3C1(Br)c1ccccc12 ZINC000003059145 552281603 /nfs/dbraw/zinc/28/16/03/552281603.db2.gz GCGLGKMZCPDQRT-SKGAXEKPSA-N -1 0 541.239 4.924 40 0 KJABRM O=C([O-])[C@H]1[C@H](C(=O)NCc2ccccc2)C2(Br)c3ccccc3C1(Br)c1ccccc12 ZINC000003059147 552281797 /nfs/dbraw/zinc/28/17/97/552281797.db2.gz GCGLGKMZCPDQRT-AGYDLCDTSA-N -1 0 541.239 4.924 40 0 KJABRM O=C([O-])[C@H]1[C@@H](C(=O)NCc2ccccc2)C2(Br)c3ccccc3C1(Br)c1ccccc12 ZINC000003059149 552281790 /nfs/dbraw/zinc/28/17/90/552281790.db2.gz GCGLGKMZCPDQRT-NEKQABHASA-N -1 0 541.239 4.924 40 0 KJABRM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003220641 552309850 /nfs/dbraw/zinc/30/98/50/552309850.db2.gz ZCRXQVCXPOVALF-UHFFFAOYSA-N -1 0 513.417 4.856 40 0 KJABRM COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000003310966 552351776 /nfs/dbraw/zinc/35/17/76/552351776.db2.gz YMCDLQVIFDMJCP-UHFFFAOYSA-N -1 0 525.612 4.598 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000003771204 552416553 /nfs/dbraw/zinc/41/65/53/552416553.db2.gz LJTDNVRTZLBXOF-PNZYDNNZSA-N -1 0 563.031 4.718 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000003771206 552416545 /nfs/dbraw/zinc/41/65/45/552416545.db2.gz LJTDNVRTZLBXOF-CBYYHRJHSA-N -1 0 563.031 4.718 40 0 KJABRM CCCC(=O)Nc1c(I)cc(I)c(C[C@@H](CC)C(=O)[O-])c1I ZINC000003831594 552419623 /nfs/dbraw/zinc/41/96/23/552419623.db2.gz YMOXVLQZFAUUKI-MRVPVSSYSA-N -1 0 641.025 4.892 40 0 world KJABRM CCCC(=O)Nc1c(I)cc(I)c(C[C@H](CC)C(=O)[O-])c1I ZINC000003831595 552419735 /nfs/dbraw/zinc/41/97/35/552419735.db2.gz YMOXVLQZFAUUKI-QMMMGPOBSA-N -1 0 641.025 4.892 40 0 world KJABRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000003920670 552422262 /nfs/dbraw/zinc/42/22/62/552422262.db2.gz FVQSSYMRZKLFDR-ZABPBAJSSA-N -1 0 614.743 4.859 40 0 in-man KJABRM C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc([N-]S(=O)(=O)c4ccc5c(c4)CN(C(=O)C(F)(F)F)CC5)nc3[C@@H](C)[C@H]21 ZINC000004149988 552443214 /nfs/dbraw/zinc/44/32/14/552443214.db2.gz MOJFWSCGGIFNIK-PRQLHJGGSA-N -1 0 597.681 4.645 40 0 biogenic,in-vitro KJABRM CC(=O)Oc1ccc(Oc2c(I)cc(C(=O)[O-])cc2I)cc1I ZINC000004214719 552449809 /nfs/dbraw/zinc/44/98/09/552449809.db2.gz AXVCIZJRCOHMQX-UHFFFAOYSA-N -1 0 649.944 4.916 40 0 in-man KJABRM O=S(=O)([O-])c1cc(O)cc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000004266029 552454887 /nfs/dbraw/zinc/45/48/87/552454887.db2.gz AMWUJHVBWLQTNQ-UHFFFAOYSA-N -1 0 539.821 4.842 40 0 KJABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000004293318 552456947 /nfs/dbraw/zinc/45/69/47/552456947.db2.gz WQWUZOIEUXKCCY-LSYYVWMOSA-N -1 0 596.043 4.936 40 0 KJABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000004293326 552457009 /nfs/dbraw/zinc/45/70/09/552457009.db2.gz OUDICYAKLFFWEP-WNJJXGMVSA-N -1 0 626.069 4.945 40 0 KJABRM NC(=NC(=O)OCc1ccccc1)N(CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)OCc1ccccc1 ZINC000004535627 552464151 /nfs/dbraw/zinc/46/41/51/552464151.db2.gz YSGAXJCIEJGVFV-RUZDIDTESA-N -1 0 576.606 4.646 40 0 KJABRM COc1ccc(OC)c(Nc2nc(Nc3ccc(C(=O)[O-])cc3)nc(Nc3cc(OC)ccc3OC)n2)c1 ZINC000004643047 552470367 /nfs/dbraw/zinc/47/03/67/552470367.db2.gz LJUDVBFWJGAKFZ-UHFFFAOYSA-N -1 0 518.530 4.835 40 0 KJABRM CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)[O-] ZINC000005119236 552494048 /nfs/dbraw/zinc/49/40/48/552494048.db2.gz ATGHEIGKPJZNFH-DEOSSOPVSA-N -1 0 520.651 4.806 40 0 KJABRM COc1cc(OC)c(CSC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(OC)c1 ZINC000005940720 552513671 /nfs/dbraw/zinc/51/36/71/552513671.db2.gz RBRGDLFVCBTWNU-DEOSSOPVSA-N -1 0 523.607 4.938 40 0 KJABRM CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccccc1 ZINC000006075209 552526940 /nfs/dbraw/zinc/52/69/40/552526940.db2.gz ONUIQWNGVTXGSR-INIZCTEOSA-N -1 0 608.214 4.676 40 0 KJABRM CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccccc1 ZINC000006075222 552527200 /nfs/dbraw/zinc/52/72/00/552527200.db2.gz ONUIQWNGVTXGSR-MRXNPFEDSA-N -1 0 608.214 4.676 40 0 KJABRM CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)s1 ZINC000006077409 552528849 /nfs/dbraw/zinc/52/88/49/552528849.db2.gz JLFWAZNTZSDGPG-UHFFFAOYSA-N -1 0 529.673 4.875 40 0 KJABRM CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000006088647 552530467 /nfs/dbraw/zinc/53/04/67/552530467.db2.gz LLEWVPGBBIIHOY-UHFFFAOYSA-N -1 0 503.602 4.557 40 0 KJABRM COc1ccccc1/C=C(/NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088866 552530723 /nfs/dbraw/zinc/53/07/23/552530723.db2.gz HETQMQVRVCGPKM-HAVVHWLPSA-N -1 0 548.646 4.671 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(Br)c(Br)s1 ZINC000006088993 552531090 /nfs/dbraw/zinc/53/10/90/552531090.db2.gz ZXYCRJZOGLQPDL-UHFFFAOYSA-N -1 0 523.253 4.783 40 0 KJABRM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(I)c1)c1ccccc1 ZINC000006142874 1067207446 /nfs/dbraw/zinc/20/74/46/1067207446.db2.gz OLXKAEZKAAXVKG-UHFFFAOYSA-N -1 0 502.337 4.779 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000008385863 552991304 /nfs/dbraw/zinc/99/13/04/552991304.db2.gz LPBUBXCHCCHIIR-LMSRTUJASA-N -1 0 593.057 4.809 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000008385868 552991382 /nfs/dbraw/zinc/99/13/82/552991382.db2.gz LPBUBXCHCCHIIR-RISWYLRJSA-N -1 0 593.057 4.809 40 0 KJABRM CCOc1ccc(-n2c([O-])c3sc4nc(-c5cccs5)cc(C(F)(F)F)c4c(N)c-3c2=O)cc1 ZINC000008413044 553010111 /nfs/dbraw/zinc/01/01/11/553010111.db2.gz QDEFBQUILLYTFN-LJQANCHMSA-N -1 0 503.527 4.945 40 0 KJABRM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000008454912 553069972 /nfs/dbraw/zinc/06/99/72/553069972.db2.gz JZYYICPGIGFNHW-ZKMPZPQNSA-N -1 0 636.304 4.883 40 0 KJABRM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000008454913 553069987 /nfs/dbraw/zinc/06/99/87/553069987.db2.gz JZYYICPGIGFNHW-PZUNEJSGSA-N -1 0 636.304 4.883 40 0 KJABRM COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C4C(=Cc5ccccc5)CCC[C@H]4[C@H]3c3ccccc3)c=2c1=O ZINC000008454916 553070004 /nfs/dbraw/zinc/07/00/04/553070004.db2.gz QXMLRYAGUGFTJP-UKQKAEAXSA-N -1 0 574.641 4.812 40 0 KJABRM COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Br)c4)c(=O)c2=3)cc1 ZINC000008454944 553070259 /nfs/dbraw/zinc/07/02/59/553070259.db2.gz NVFYLAFUQXQLPM-FPNNDXFKSA-N -1 0 615.488 4.746 40 0 KJABRM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1N=C(c2cccc3ccccc32)C[C@H]1c1ccccc1 ZINC000008454947 553070262 /nfs/dbraw/zinc/07/02/62/553070262.db2.gz QBICSAQNFIREBY-PIZZNKLWSA-N -1 0 528.572 4.511 40 0 KJABRM COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4c(C)cccc4C)c(=O)c2=3)cc1 ZINC000008454965 553070263 /nfs/dbraw/zinc/07/02/63/553070263.db2.gz QVDUJTSXJRFCSX-JNQIMCCTSA-N -1 0 564.646 4.600 40 0 KJABRM COc1cc(OC)c(CSC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(OC)c1 ZINC000008665374 553109332 /nfs/dbraw/zinc/10/93/32/553109332.db2.gz RBRGDLFVCBTWNU-XMMPIXPASA-N -1 0 523.607 4.938 40 0 KJABRM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5cccc6ccccc65)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000008828988 553157513 /nfs/dbraw/zinc/15/75/13/553157513.db2.gz YXRWXGLNQSUYFB-LOAGWBBBSA-N -1 0 542.599 4.819 40 0 KJABRM CCCOc1ccc(N2C(=O)[C@H]3ON([C@@H](CC(=O)[O-])c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000009191420 553218628 /nfs/dbraw/zinc/21/86/28/553218628.db2.gz ATDHMUDZGKYGBE-MNUOIFNESA-N -1 0 500.551 4.538 40 0 KJABRM CCCOc1ccc(N2C(=O)[C@H]3ON([C@@H](CC(=O)[O-])c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000009191423 553218614 /nfs/dbraw/zinc/21/86/14/553218614.db2.gz ATDHMUDZGKYGBE-HDLKCZAISA-N -1 0 500.551 4.538 40 0 KJABRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000009233267 553224231 /nfs/dbraw/zinc/22/42/31/553224231.db2.gz KUPDMOXEXZHXFC-OMCISZLKSA-N -1 0 500.729 4.942 40 0 KJABRM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000009291437 553234689 /nfs/dbraw/zinc/23/46/89/553234689.db2.gz MFMQLAJBLUGMMX-GSDHBNRESA-N -1 0 516.550 4.623 40 0 KJABRM COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000012112460 553351428 /nfs/dbraw/zinc/35/14/28/553351428.db2.gz YFLLPTJDBPDGDS-UHFFFAOYSA-N -1 0 509.609 4.658 40 0 KJABRM O=C([O-])c1cc(-c2ccc(/C=c3\sc4nc5ccc(Br)cc5n4c3=O)o2)ccc1Cl ZINC000013151682 553456903 /nfs/dbraw/zinc/45/69/03/553456903.db2.gz SSDANWONHVJNPV-NVMNQCDNSA-N -1 0 501.745 4.831 40 0 KJABRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013571935 553474112 /nfs/dbraw/zinc/47/41/12/553474112.db2.gz IPKYVJLWGXFORE-SLFFLAALSA-N -1 0 518.513 4.735 40 0 KJABRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013571942 553474147 /nfs/dbraw/zinc/47/41/47/553474147.db2.gz IPKYVJLWGXFORE-HSALFYBXSA-N -1 0 518.513 4.735 40 0 KJABRM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccc(I)cc2)[C@H]2CC[C@@H]1O2 ZINC000013649924 553480514 /nfs/dbraw/zinc/48/05/14/553480514.db2.gz UYFMSCHBODMWON-HBHIRWTLSA-N -1 0 512.384 4.582 40 0 in-vitro KJABRM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013679586 553483776 /nfs/dbraw/zinc/48/37/76/553483776.db2.gz FLEAXPVEWXZOIC-UHFFFAOYSA-N -1 0 513.622 4.602 40 0 KJABRM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1OC ZINC000013679780 553484047 /nfs/dbraw/zinc/48/40/47/553484047.db2.gz SXQCDFGDLMDOPC-UHFFFAOYSA-N -1 0 523.438 4.925 40 0 KJABRM O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013682077 553484749 /nfs/dbraw/zinc/48/47/49/553484749.db2.gz VZMGGSXFOLAAHS-UHFFFAOYSA-N -1 0 505.621 4.774 40 0 KJABRM CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N([C@@H](CC(=O)[O-])c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013757859 553488552 /nfs/dbraw/zinc/48/85/52/553488552.db2.gz ATDHMUDZGKYGBE-KMQNXVAFSA-N -1 0 500.551 4.538 40 0 KJABRM C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013781978 553490446 /nfs/dbraw/zinc/49/04/46/553490446.db2.gz YOBMIXIISZAQGF-CAYVGHNUSA-N -1 0 516.442 4.813 40 0 in-vitro KJABRM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013787386 553490791 /nfs/dbraw/zinc/49/07/91/553490791.db2.gz IFYYYSKSSMBLCP-PVHODMMVSA-N -1 0 502.567 4.934 40 0 KJABRM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013806276 553491756 /nfs/dbraw/zinc/49/17/56/553491756.db2.gz YDNHMQNYNWAOBK-PVHODMMVSA-N -1 0 502.567 4.934 40 0 KJABRM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013810815 553492489 /nfs/dbraw/zinc/49/24/89/553492489.db2.gz MFMQLAJBLUGMMX-ZNZIZOMTSA-N -1 0 516.550 4.623 40 0 KJABRM COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)CC1 ZINC000014153260 553503249 /nfs/dbraw/zinc/50/32/49/553503249.db2.gz GZYNWQVUHYJBNC-UHFFFAOYSA-N -1 0 514.047 4.729 40 0 KJABRM COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1OC ZINC000014153628 553503474 /nfs/dbraw/zinc/50/34/74/553503474.db2.gz SLHZJDHBTQBBQT-UHFFFAOYSA-N -1 0 503.020 4.747 40 0 KJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)c1C ZINC000014153719 553503655 /nfs/dbraw/zinc/50/36/55/553503655.db2.gz AUULLAROUORQSD-UHFFFAOYSA-N -1 0 502.011 4.859 40 0 KJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)c1 ZINC000014153785 553503615 /nfs/dbraw/zinc/50/36/15/553503615.db2.gz VHSLOBHNXNDIHH-UHFFFAOYSA-N -1 0 502.011 4.859 40 0 KJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)c1 ZINC000014153926 553503853 /nfs/dbraw/zinc/50/38/53/553503853.db2.gz UXVUHPXSZMBFOT-UHFFFAOYSA-N -1 0 502.011 4.859 40 0 KJABRM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000014154015 553503848 /nfs/dbraw/zinc/50/38/48/553503848.db2.gz OEFFCSVVAWLYBR-UHFFFAOYSA-N -1 0 521.620 4.849 40 0 KJABRM COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)CC1 ZINC000014154225 553504025 /nfs/dbraw/zinc/50/40/25/553504025.db2.gz ZHRYCJQTFKXEFO-UHFFFAOYSA-N -1 0 514.047 4.729 40 0 KJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000014154889 553504570 /nfs/dbraw/zinc/50/45/70/553504570.db2.gz RUFDKZHBXUVJPH-UHFFFAOYSA-N -1 0 527.668 4.613 40 0 KJABRM COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1OC ZINC000014155111 553504767 /nfs/dbraw/zinc/50/47/67/553504767.db2.gz IIXSSANWJWACNK-UHFFFAOYSA-N -1 0 503.020 4.747 40 0 KJABRM Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000014155219 553504907 /nfs/dbraw/zinc/50/49/07/553504907.db2.gz IRRFVZPKJDZSJC-UHFFFAOYSA-N -1 0 525.030 4.808 40 0 KJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)cc1C ZINC000014155461 553505164 /nfs/dbraw/zinc/50/51/64/553505164.db2.gz KGNDKEYUWWLXTC-UHFFFAOYSA-N -1 0 502.011 4.859 40 0 KJABRM COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)CC1 ZINC000014155480 553505177 /nfs/dbraw/zinc/50/51/77/553505177.db2.gz QBOSCSIKTONIED-UHFFFAOYSA-N -1 0 514.047 4.729 40 0 KJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)c1C ZINC000014155556 553505154 /nfs/dbraw/zinc/50/51/54/553505154.db2.gz WKXGAMUTAPRNLR-UHFFFAOYSA-N -1 0 502.011 4.859 40 0 KJABRM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Br)s1 ZINC000014223886 553506282 /nfs/dbraw/zinc/50/62/82/553506282.db2.gz KBNHGRHIYVWCKO-UHFFFAOYSA-N -1 0 507.840 4.766 40 0 KJABRM CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000014273794 553506773 /nfs/dbraw/zinc/50/67/73/553506773.db2.gz ZFPFYRNXSNLKHO-UHFFFAOYSA-N -1 0 510.870 4.807 40 0 KJABRM CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000014274202 553507157 /nfs/dbraw/zinc/50/71/57/553507157.db2.gz MIRJOLHGJHWGRM-UHFFFAOYSA-N -1 0 503.653 4.970 40 0 KJABRM CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000014274288 553507300 /nfs/dbraw/zinc/50/73/00/553507300.db2.gz DVAOMEVECCXXJO-UHFFFAOYSA-N -1 0 503.653 4.970 40 0 KJABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000014400503 553515425 /nfs/dbraw/zinc/51/54/25/553515425.db2.gz YFCCXRBVYSOVHS-UHFFFAOYSA-N -1 0 504.992 4.956 40 0 KJABRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000014952320 561746244 /nfs/dbraw/zinc/74/62/44/561746244.db2.gz FVQSSYMRZKLFDR-UKWUEPKQSA-N -1 0 614.743 4.859 40 0 in-vivo KJABRM COc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1OCC(=O)[O-] ZINC000015015859 553526099 /nfs/dbraw/zinc/52/60/99/553526099.db2.gz NHKBEXKOZDMUQN-XMMPIXPASA-N -1 0 520.542 4.945 40 0 KJABRM COc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1OCC(=O)[O-] ZINC000015015860 553526108 /nfs/dbraw/zinc/52/61/08/553526108.db2.gz NHKBEXKOZDMUQN-DEOSSOPVSA-N -1 0 520.542 4.945 40 0 KJABRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OC(C)C ZINC000015231363 553530047 /nfs/dbraw/zinc/53/00/47/553530047.db2.gz OTWANJUNNDVUMD-LZYBPNLTSA-N -1 0 507.381 4.605 40 0 KJABRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1C ZINC000015231439 553530073 /nfs/dbraw/zinc/53/00/73/553530073.db2.gz FVKBNKVWDRXRFQ-RGVLZGJSSA-N -1 0 509.559 4.755 40 0 KJABRM O=C([O-])[C@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000015721631 553534709 /nfs/dbraw/zinc/53/47/09/553534709.db2.gz GOKNAFJRMIESED-GTUSSPTASA-N -1 0 502.611 4.844 40 0 KJABRM COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000016226457 553556981 /nfs/dbraw/zinc/55/69/81/553556981.db2.gz JHFHRUQENBCDTD-GORDUTHDSA-N -1 0 504.189 4.989 40 0 KJABRM Cc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])c(Cl)c1 ZINC000016285079 553558861 /nfs/dbraw/zinc/55/88/61/553558861.db2.gz ULJUGIZHPAEOBZ-UHFFFAOYSA-N -1 0 506.603 4.998 40 0 KJABRM Cc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])cc1Cl ZINC000016312726 553559925 /nfs/dbraw/zinc/55/99/25/553559925.db2.gz CNXKDPLFXKZXKI-UHFFFAOYSA-N -1 0 506.603 4.998 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000016401339 553562776 /nfs/dbraw/zinc/56/27/76/553562776.db2.gz XXKNYURSSZKIQX-UHFFFAOYSA-N -1 0 506.603 4.619 40 0 KJABRM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000016477687 553565878 /nfs/dbraw/zinc/56/58/78/553565878.db2.gz HPUYNMUQHMVNFP-UHFFFAOYSA-N -1 0 516.360 4.635 40 0 KJABRM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016493079 553566644 /nfs/dbraw/zinc/56/66/44/553566644.db2.gz ZRSYOUKQFJYEKJ-UHFFFAOYSA-N -1 0 502.333 4.783 40 0 KJABRM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000016757207 553581246 /nfs/dbraw/zinc/58/12/46/553581246.db2.gz PLPVASJGUXKJPU-UHFFFAOYSA-N -1 0 513.373 4.534 40 0 KJABRM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)cc2)nc(C)n1 ZINC000016806085 553583194 /nfs/dbraw/zinc/58/31/94/553583194.db2.gz SHWVGVXCGDUTEB-UHFFFAOYSA-N -1 0 510.579 4.757 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)cc2)n1 ZINC000016806086 553583157 /nfs/dbraw/zinc/58/31/57/553583157.db2.gz DLFURTSLXATRHJ-UHFFFAOYSA-N -1 0 510.579 4.757 40 0 KJABRM CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)[O-] ZINC000016931509 553584090 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CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc(Cl)cc3)c(=O)[n-]1)CCCC2 ZINC000027526209 1067208704 /nfs/dbraw/zinc/20/87/04/1067208704.db2.gz NZORWXCTWUDKIK-UHFFFAOYSA-N -1 0 505.021 4.745 40 0 KJABRM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccc(I)cc2)[C@@H]2CC[C@H]1O2 ZINC000027642842 553835764 /nfs/dbraw/zinc/83/57/64/553835764.db2.gz UYFMSCHBODMWON-HSJGHUPASA-N -1 0 512.384 4.582 40 0 in-vitro KJABRM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000030752390 553856017 /nfs/dbraw/zinc/85/60/17/553856017.db2.gz FUAWDPRZPVEBQE-JOCHJYFZSA-N -1 0 504.992 4.954 40 0 KJABRM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000030752394 553855908 /nfs/dbraw/zinc/85/59/08/553855908.db2.gz FUAWDPRZPVEBQE-QFIPXVFZSA-N -1 0 504.992 4.954 40 0 KJABRM O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000030754632 553856502 /nfs/dbraw/zinc/85/65/02/553856502.db2.gz ZSQVZRLNALCSEF-UHFFFAOYSA-N -1 0 512.385 4.816 40 0 KJABRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000030758988 553857196 /nfs/dbraw/zinc/85/71/96/553857196.db2.gz IAKXHJYLRNOXQI-OAQYLSRUSA-N -1 0 504.992 4.954 40 0 KJABRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000030758992 553857084 /nfs/dbraw/zinc/85/70/84/553857084.db2.gz IAKXHJYLRNOXQI-NRFANRHFSA-N -1 0 504.992 4.954 40 0 KJABRM O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000030858117 553858635 /nfs/dbraw/zinc/85/86/35/553858635.db2.gz YDNQVBCFXMFDJQ-UHFFFAOYSA-N -1 0 512.385 4.816 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)n1 ZINC000030871467 553860409 /nfs/dbraw/zinc/86/04/09/553860409.db2.gz VTTCTUSHGLPBTE-UHFFFAOYSA-N -1 0 513.623 4.709 40 0 KJABRM COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000031903708 553861987 /nfs/dbraw/zinc/86/19/87/553861987.db2.gz SEEIYUIQXAMFKC-UHFFFAOYSA-N -1 0 523.636 4.966 40 0 KJABRM O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccc(Br)cc1 ZINC000032116348 553864764 /nfs/dbraw/zinc/86/47/64/553864764.db2.gz BNTOMKOSMPFXFJ-UHFFFAOYSA-N -1 0 509.017 4.807 40 0 KJABRM O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1Br ZINC000032116532 553864945 /nfs/dbraw/zinc/86/49/45/553864945.db2.gz FMZINUIQWGZASJ-UHFFFAOYSA-N -1 0 509.017 4.807 40 0 KJABRM Cc1cc(OCC(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)ccc1Cl ZINC000032116647 553864934 /nfs/dbraw/zinc/86/49/34/553864934.db2.gz WQICRNZXTNGHAX-UHFFFAOYSA-N -1 0 508.619 4.771 40 0 KJABRM Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cc(Br)c([O-])c(Br)c1 ZINC000032116650 553865021 /nfs/dbraw/zinc/86/50/21/553865021.db2.gz DFPKZOWUXZWQCV-UHFFFAOYSA-N -1 0 508.619 4.771 40 0 KJABRM O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1cccc(Br)c1 ZINC000032116698 553865281 /nfs/dbraw/zinc/86/52/81/553865281.db2.gz VZUHKKFGQWGWTF-UHFFFAOYSA-N -1 0 509.017 4.807 40 0 KJABRM CC(C)c1ccc(OCC(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000032116710 553865347 /nfs/dbraw/zinc/86/53/47/553865347.db2.gz RAYCIVHFXJXLAH-UHFFFAOYSA-N -1 0 502.228 4.933 40 0 KJABRM COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000033405875 553959015 /nfs/dbraw/zinc/95/90/15/553959015.db2.gz VYQJMTHVOPSRHB-SDCHORASSA-N -1 0 508.571 4.709 40 0 KJABRM Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000033422453 553959580 /nfs/dbraw/zinc/95/95/80/553959580.db2.gz INFFIAWKHWOFEN-UCQKPKSFSA-N -1 0 502.548 4.947 40 0 KJABRM C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)[O-] ZINC000034177740 562038405 /nfs/dbraw/zinc/03/84/05/562038405.db2.gz VBGDQDJVTLQGNO-JXLWEQSJSA-N -1 0 512.643 4.548 40 0 biogenic,in-vitro KJABRM CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON([C@@H](CC(=O)[O-])c4ccccc4)[C@@H]3c3ccccc3)C2=O)cc1 ZINC000034378353 553981571 /nfs/dbraw/zinc/98/15/71/553981571.db2.gz ATDHMUDZGKYGBE-CRJMXQGDSA-N -1 0 500.551 4.538 40 0 KJABRM COc1cc2c(c(Cl)c1O)Oc1c(Cl)c(O)c(OC)cc1C21OC(=O)c2ccc(C(=O)[O-])cc21 ZINC000038405216 554274655 /nfs/dbraw/zinc/27/46/55/554274655.db2.gz IDLISIVVYLGCKO-UHFFFAOYSA-N -1 0 505.262 4.688 40 0 in-vitro KJABRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)cc1 ZINC000038752472 554275497 /nfs/dbraw/zinc/27/54/97/554275497.db2.gz SMRCNXBMXCMGHH-INIZCTEOSA-N -1 0 502.614 4.633 40 0 KJABRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)cc1 ZINC000038752475 554275428 /nfs/dbraw/zinc/27/54/28/554275428.db2.gz SMRCNXBMXCMGHH-MRXNPFEDSA-N -1 0 502.614 4.633 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039755650 554280160 /nfs/dbraw/zinc/28/01/60/554280160.db2.gz WWNQMABOXGGTFL-UHFFFAOYSA-N -1 0 509.028 4.587 40 0 KJABRM CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(Br)c1 ZINC000040943867 554291757 /nfs/dbraw/zinc/29/17/57/554291757.db2.gz NNFNXWDVRCZMGZ-UHFFFAOYSA-N -1 0 504.406 4.786 40 0 KJABRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO[P@@](=O)([O-])OC[C@H](O)CO ZINC000043898796 554300223 /nfs/dbraw/zinc/30/02/23/554300223.db2.gz PAGKVQGBMADPCS-XSQXPFHXSA-N -1 0 501.601 4.735 40 0 in-vitro KJABRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO[P@@](=O)([O-])OC[C@@H](O)CO ZINC000043898800 554300295 /nfs/dbraw/zinc/30/02/95/554300295.db2.gz PAGKVQGBMADPCS-UGLSNKNVSA-N -1 0 501.601 4.735 40 0 in-vitro KJABRM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccccc2)cc1 ZINC000044848858 554304991 /nfs/dbraw/zinc/30/49/91/554304991.db2.gz KSJVUHZYUQYCNA-XIEYBQDHSA-N -1 0 500.580 4.774 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)n1 ZINC000044883047 554307538 /nfs/dbraw/zinc/30/75/38/554307538.db2.gz IMTSFUMNYLRXIU-UHFFFAOYSA-N -1 0 513.623 4.791 40 0 KJABRM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000051336623 1067209291 /nfs/dbraw/zinc/20/92/91/1067209291.db2.gz PNKPXMGPKYVKDW-YVSMVFEGSA-N -1 0 522.686 4.885 40 0 KJABRM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000051336627 1067209158 /nfs/dbraw/zinc/20/91/58/1067209158.db2.gz PNKPXMGPKYVKDW-VUUCJGKCSA-N -1 0 522.686 4.885 40 0 KJABRM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000051336630 1067209180 /nfs/dbraw/zinc/20/91/80/1067209180.db2.gz PNKPXMGPKYVKDW-HOIIOPPPSA-N -1 0 522.686 4.885 40 0 KJABRM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000051336632 1067209364 /nfs/dbraw/zinc/20/93/64/1067209364.db2.gz PNKPXMGPKYVKDW-WCPQTMILSA-N -1 0 522.686 4.885 40 0 KJABRM CCCC[C@H](NC(=O)[C@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000059075563 554371808 /nfs/dbraw/zinc/37/18/08/554371808.db2.gz LPAHKJMGDSJDRG-KYWJMYAMSA-N -1 0 641.810 4.820 40 0 KJABRM CCOc1cc(C(=O)NC(=S)[N-]n2c(CC)nnc2SCc2ccccc2)cc(OCC)c1OCC ZINC000059331398 193893818 /nfs/dbraw/zinc/89/38/18/193893818.db2.gz RUBSLWNTMKZJKI-UHFFFAOYSA-N -1 0 529.688 4.587 40 0 KJABRM CCOc1ccc(C(=O)NC(=S)[N-]n2c(CC)nnc2SCc2ccccc2)cc1Br ZINC000059331399 554388316 /nfs/dbraw/zinc/38/83/16/554388316.db2.gz IYQPCTOUIMSWML-UHFFFAOYSA-N -1 0 520.478 4.552 40 0 KJABRM Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Sc3nnc(-c4ccccc4N)c(=O)[n-]3)n2)c1 ZINC000059416032 554393467 /nfs/dbraw/zinc/39/34/67/554393467.db2.gz SSJKODLQQAQMBN-UHFFFAOYSA-N -1 0 509.599 4.854 40 0 KJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cc(I)ccc1I ZINC000059825536 554431803 /nfs/dbraw/zinc/43/18/03/554431803.db2.gz MTZYBIQLNSMCCS-UHFFFAOYSA-N -1 0 557.509 4.508 40 0 KJABRM O=C([O-])c1cccc(NC(=O)c2cc(Br)cc(Br)c2I)c1 ZINC000059825583 554431961 /nfs/dbraw/zinc/43/19/61/554431961.db2.gz CVEYVESBRAHANO-UHFFFAOYSA-N -1 0 524.934 4.767 40 0 KJABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Br)cc(Br)c1I ZINC000059825598 554431920 /nfs/dbraw/zinc/43/19/20/554431920.db2.gz OBVOEHKBNBKHIH-UHFFFAOYSA-N -1 0 554.960 4.775 40 0 KJABRM O=C([O-])c1ccc(NC(=O)c2cc(Br)cc(Br)c2I)cc1 ZINC000059825614 554431923 /nfs/dbraw/zinc/43/19/23/554431923.db2.gz LMAUGHITQHEWNU-UHFFFAOYSA-N -1 0 524.934 4.767 40 0 KJABRM O=C([O-])Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2I)cc1 ZINC000059825628 554431938 /nfs/dbraw/zinc/43/19/38/554431938.db2.gz UMPKDPWLMSNCSU-UHFFFAOYSA-N -1 0 538.961 4.696 40 0 KJABRM Cc1cc(NC(=O)c2cc(Br)cc(Br)c2I)cc(C(=O)[O-])c1O ZINC000059825639 554431933 /nfs/dbraw/zinc/43/19/33/554431933.db2.gz AFXCCYQTQQNZFQ-UHFFFAOYSA-N -1 0 554.960 4.781 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000059852406 554451157 /nfs/dbraw/zinc/45/11/57/554451157.db2.gz SGCFUMRQJVNTKN-UHFFFAOYSA-N -1 0 614.149 4.998 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000059852619 554452121 /nfs/dbraw/zinc/45/21/21/554452121.db2.gz MMLXXJDQDGSTEL-UHFFFAOYSA-N -1 0 585.107 4.987 40 0 KJABRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)ccc2C)cc1 ZINC000059852715 554452442 /nfs/dbraw/zinc/45/24/42/554452442.db2.gz JDMBXVGJFZZALQ-UHFFFAOYSA-N -1 0 536.635 4.552 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000059852720 554452376 /nfs/dbraw/zinc/45/23/76/554452376.db2.gz VBUMIPHHGAFWSI-UHFFFAOYSA-N -1 0 600.122 4.690 40 0 KJABRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2C)c1 ZINC000059852729 554452363 /nfs/dbraw/zinc/45/23/63/554452363.db2.gz ACIDNJBRMXBFIZ-UHFFFAOYSA-N -1 0 536.635 4.552 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)cc2)n1 ZINC000059852737 554452386 /nfs/dbraw/zinc/45/23/86/554452386.db2.gz PQVUIFXUDJGAEK-UHFFFAOYSA-N -1 0 623.801 4.767 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)n1 ZINC000059852757 554452632 /nfs/dbraw/zinc/45/26/32/554452632.db2.gz QOJVYGDHEIYUJW-UHFFFAOYSA-N -1 0 586.095 4.625 40 0 KJABRM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059852810 554452695 /nfs/dbraw/zinc/45/26/95/554452695.db2.gz KVZXAKBQCBCBFF-UHFFFAOYSA-N -1 0 571.080 4.678 40 0 KJABRM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000059852900 554453289 /nfs/dbraw/zinc/45/32/89/554453289.db2.gz CDZMZVYNROLJHT-UHFFFAOYSA-N -1 0 566.101 4.705 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)n1 ZINC000059852920 554453296 /nfs/dbraw/zinc/45/32/96/554453296.db2.gz FKDARYDIGDQMRA-AREMUKBSSA-N -1 0 563.661 4.514 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)n1 ZINC000059852924 554453268 /nfs/dbraw/zinc/45/32/68/554453268.db2.gz FKDARYDIGDQMRA-SANMLTNESA-N -1 0 563.661 4.514 40 0 KJABRM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000059852935 554453209 /nfs/dbraw/zinc/45/32/09/554453209.db2.gz MPYOWJRTSQMMLR-UHFFFAOYSA-N -1 0 606.513 4.803 40 0 KJABRM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059852940 554453195 /nfs/dbraw/zinc/45/31/95/554453195.db2.gz PNUIDJKSOPMTLJ-UHFFFAOYSA-N -1 0 564.689 4.587 40 0 KJABRM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059852964 554453229 /nfs/dbraw/zinc/45/32/29/554453229.db2.gz PIWBFVXZWLBRQH-UHFFFAOYSA-N -1 0 601.106 4.769 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059852971 554453215 /nfs/dbraw/zinc/45/32/15/554453215.db2.gz ONKNCXNGEKMNIQ-UHFFFAOYSA-N -1 0 606.513 4.727 40 0 KJABRM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc2)cc1 ZINC000059853160 554453851 /nfs/dbraw/zinc/45/38/51/554453851.db2.gz CNQBLHIYFIJSIY-UHFFFAOYSA-N -1 0 597.744 4.694 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2cccc(Cl)c2C)cc1 ZINC000059853185 554453805 /nfs/dbraw/zinc/45/38/05/554453805.db2.gz HJHXJRBMGFVGQT-UHFFFAOYSA-N -1 0 614.149 4.998 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccc(C)cc2C)cc1 ZINC000059853250 554454078 /nfs/dbraw/zinc/45/40/78/554454078.db2.gz KWEVPTAXCXFEEC-UHFFFAOYSA-N -1 0 564.689 4.642 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccc(C)cc2C)cc1 ZINC000059853418 554454054 /nfs/dbraw/zinc/45/40/54/554454054.db2.gz DLQOSKBLXVYGSG-UHFFFAOYSA-N -1 0 564.689 4.642 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059853421 554454411 /nfs/dbraw/zinc/45/44/11/554454411.db2.gz UVZKOSLCUYABCG-UHFFFAOYSA-N -1 0 579.704 4.543 40 0 KJABRM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059853454 554454425 /nfs/dbraw/zinc/45/44/25/554454425.db2.gz MKPWUMPWPVKTGM-UHFFFAOYSA-N -1 0 600.122 4.690 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)cc2)n1 ZINC000059853490 554454371 /nfs/dbraw/zinc/45/43/71/554454371.db2.gz BTOBOPVLZVJWOC-UHFFFAOYSA-N -1 0 572.068 4.601 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059853560 554454635 /nfs/dbraw/zinc/45/46/35/554454635.db2.gz OIMONDQQHPSITO-UHFFFAOYSA-N -1 0 599.694 4.925 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)ccc2C)cc1 ZINC000059853570 554454617 /nfs/dbraw/zinc/45/46/17/554454617.db2.gz AEXREMXTQACSSL-UHFFFAOYSA-N -1 0 565.677 4.564 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059853744 554454938 /nfs/dbraw/zinc/45/49/38/554454938.db2.gz SQLXQUWUGGXDBB-UHFFFAOYSA-N -1 0 579.704 4.543 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000059858384 554455640 /nfs/dbraw/zinc/45/56/40/554455640.db2.gz KSYURDTYAKLFQS-UHFFFAOYSA-N -1 0 581.672 4.582 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059858421 554455589 /nfs/dbraw/zinc/45/55/89/554455589.db2.gz MQIJCRKOLPOHQW-UHFFFAOYSA-N -1 0 583.663 4.778 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059858433 554455634 /nfs/dbraw/zinc/45/56/34/554455634.db2.gz YKFZNLPPJOSNRA-UHFFFAOYSA-N -1 0 625.725 4.656 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000059881849 554457571 /nfs/dbraw/zinc/45/75/71/554457571.db2.gz ZIWLXRYALRVZMO-UHFFFAOYSA-N -1 0 606.044 4.881 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059882152 554457775 /nfs/dbraw/zinc/45/77/75/554457775.db2.gz APTRERWTTNYVJH-UHFFFAOYSA-N -1 0 613.689 4.786 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882245 554458191 /nfs/dbraw/zinc/45/81/91/554458191.db2.gz BKCFLUZSXFXRML-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059882384 554458118 /nfs/dbraw/zinc/45/81/18/554458118.db2.gz OIZFPBCPKYFKQU-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882692 554458716 /nfs/dbraw/zinc/45/87/16/554458716.db2.gz BIDBUKBEKULVDC-UHFFFAOYSA-N -1 0 595.699 4.647 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882701 554458709 /nfs/dbraw/zinc/45/87/09/554458709.db2.gz ZPIKUCIIVNJMCQ-UHFFFAOYSA-N -1 0 625.725 4.656 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882902 554459235 /nfs/dbraw/zinc/45/92/35/554459235.db2.gz XVKVJEDLTQOWMW-UHFFFAOYSA-N -1 0 616.117 4.992 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882959 554459267 /nfs/dbraw/zinc/45/92/67/554459267.db2.gz WRRWCIPMQFOXCH-UHFFFAOYSA-N -1 0 579.700 4.947 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059882977 554459279 /nfs/dbraw/zinc/45/92/79/554459279.db2.gz QWKFQQWNVNPJBK-UHFFFAOYSA-N -1 0 595.699 4.647 40 0 KJABRM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059883096 554459541 /nfs/dbraw/zinc/45/95/41/554459541.db2.gz GNGMFELYYAOIOJ-UHFFFAOYSA-N -1 0 625.725 4.656 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000059883433 554460502 /nfs/dbraw/zinc/46/05/02/554460502.db2.gz GXMLYQFZIWZENW-UHFFFAOYSA-N -1 0 572.492 4.516 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059883795 554461228 /nfs/dbraw/zinc/46/12/28/554461228.db2.gz PYRWPMGPHISFKF-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059884010 554461789 /nfs/dbraw/zinc/46/17/89/554461789.db2.gz DZHOLXDNLJPBAZ-UHFFFAOYSA-N -1 0 595.699 4.647 40 0 KJABRM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)c2ccc(C)cc2)cc1 ZINC000059884031 554461744 /nfs/dbraw/zinc/46/17/44/554461744.db2.gz WJVKOXKHBBDSLU-UHFFFAOYSA-N -1 0 625.725 4.656 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000059884035 554461775 /nfs/dbraw/zinc/46/17/75/554461775.db2.gz XAABJFNOWRIIRL-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884273 554462022 /nfs/dbraw/zinc/46/20/22/554462022.db2.gz CUCFHYOIUGGBRZ-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)c2ccc(C)cc2)cc1 ZINC000059884276 554461978 /nfs/dbraw/zinc/46/19/78/554461978.db2.gz IHAVTWBMMGRIPE-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884320 554462460 /nfs/dbraw/zinc/46/24/60/554462460.db2.gz ZGPZLCZNXSMVSM-UHFFFAOYSA-N -1 0 595.699 4.647 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000059884540 554462702 /nfs/dbraw/zinc/46/27/02/554462702.db2.gz IGEGUYZPJZKLPL-UHFFFAOYSA-N -1 0 606.044 4.881 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000059884612 554463014 /nfs/dbraw/zinc/46/30/14/554463014.db2.gz FUCKMDDXYPKFKS-UHFFFAOYSA-N -1 0 583.663 4.778 40 0 KJABRM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)c2ccccc2)cc1 ZINC000059884680 554463044 /nfs/dbraw/zinc/46/30/44/554463044.db2.gz KJBFHRBHEZLRHC-UHFFFAOYSA-N -1 0 595.699 4.647 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 ZINC000059884851 554463325 /nfs/dbraw/zinc/46/33/25/554463325.db2.gz BRSOVFWEFPNDLB-UHFFFAOYSA-N -1 0 622.043 4.582 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059885069 554463970 /nfs/dbraw/zinc/46/39/70/554463970.db2.gz YANDYWTWZHPMTO-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059885134 554463901 /nfs/dbraw/zinc/46/39/01/554463901.db2.gz OVRYPEJZLGYXGT-UHFFFAOYSA-N -1 0 595.699 4.647 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000059885191 554464115 /nfs/dbraw/zinc/46/41/15/554464115.db2.gz IYILMASIUMTWSS-UHFFFAOYSA-N -1 0 622.043 4.582 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059885843 554465421 /nfs/dbraw/zinc/46/54/21/554465421.db2.gz DIKYLKKTRLBJKM-UHFFFAOYSA-N -1 0 616.117 4.992 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886161 554466059 /nfs/dbraw/zinc/46/60/59/554466059.db2.gz UKYLQXUFJRGMEM-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059886211 554466241 /nfs/dbraw/zinc/46/62/41/554466241.db2.gz LHPLQCGDPNWJRA-UHFFFAOYSA-N -1 0 625.725 4.737 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000059886383 554466710 /nfs/dbraw/zinc/46/67/10/554466710.db2.gz OJJZMSRNNQKWKI-UHFFFAOYSA-N -1 0 579.700 4.947 40 0 KJABRM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1)S(=O)(=O)c1ccccc1 ZINC000059886840 554467716 /nfs/dbraw/zinc/46/77/16/554467716.db2.gz YKXYNBNMJSJRAW-UHFFFAOYSA-N -1 0 609.726 4.901 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059886960 554467648 /nfs/dbraw/zinc/46/76/48/554467648.db2.gz CSECDRQVXUCHED-UHFFFAOYSA-N -1 0 595.699 4.723 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059886964 554467700 /nfs/dbraw/zinc/46/77/00/554467700.db2.gz VSWLCQUPHLZFLK-UHFFFAOYSA-N -1 0 579.700 4.947 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887056 554468107 /nfs/dbraw/zinc/46/81/07/554468107.db2.gz VNFLDRLRXSOEDX-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000059887281 554468383 /nfs/dbraw/zinc/46/83/83/554468383.db2.gz MPCIPGAZEQETDF-UHFFFAOYSA-N -1 0 572.492 4.516 40 0 KJABRM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059887305 554468445 /nfs/dbraw/zinc/46/84/45/554468445.db2.gz AKLGWXIBOLWBRR-UHFFFAOYSA-N -1 0 609.726 4.955 40 0 KJABRM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1)S(=O)(=O)c1ccccc1 ZINC000059887598 554469009 /nfs/dbraw/zinc/46/90/09/554469009.db2.gz MSEPNXOUKYCXSX-UHFFFAOYSA-N -1 0 625.725 4.737 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887773 554469770 /nfs/dbraw/zinc/46/97/70/554469770.db2.gz KWWKDRUBMVAWNP-UHFFFAOYSA-N -1 0 616.117 4.992 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000059887948 554470057 /nfs/dbraw/zinc/47/00/57/554470057.db2.gz RKPZUBMIFIXCOE-UHFFFAOYSA-N -1 0 579.700 4.947 40 0 KJABRM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059888128 554470325 /nfs/dbraw/zinc/47/03/25/554470325.db2.gz PBRUYEYZCDHUDD-UHFFFAOYSA-N -1 0 625.725 4.656 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059888494 554471238 /nfs/dbraw/zinc/47/12/38/554471238.db2.gz QERWQBZXZOTWAM-UHFFFAOYSA-N -1 0 625.725 4.656 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888929 554472090 /nfs/dbraw/zinc/47/20/90/554472090.db2.gz QBIGEDJPWBCSSL-UHFFFAOYSA-N -1 0 595.699 4.647 40 0 KJABRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2C)cc1C ZINC000059922813 554472677 /nfs/dbraw/zinc/47/26/77/554472677.db2.gz ZWMIVOHJVHWYQV-UHFFFAOYSA-N -1 0 550.662 4.861 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)n1 ZINC000059923007 554472941 /nfs/dbraw/zinc/47/29/41/554472941.db2.gz KNEQFYYFYIGRKQ-UHFFFAOYSA-N -1 0 572.068 4.601 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c2)cc1 ZINC000059923190 554472875 /nfs/dbraw/zinc/47/28/75/554472875.db2.gz COZHHVJZSFVVKQ-UHFFFAOYSA-N -1 0 557.053 4.897 40 0 KJABRM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059923346 554473185 /nfs/dbraw/zinc/47/31/85/554473185.db2.gz ZAACTGFLWWLFAS-UHFFFAOYSA-N -1 0 627.770 4.540 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059923548 554473423 /nfs/dbraw/zinc/47/34/23/554473423.db2.gz PSLVFMZFGOHGBR-UHFFFAOYSA-N -1 0 593.731 4.852 40 0 KJABRM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059923568 554473454 /nfs/dbraw/zinc/47/34/54/554473454.db2.gz LCUNDNXLMKBNTD-UHFFFAOYSA-N -1 0 601.106 4.769 40 0 KJABRM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059923601 554473689 /nfs/dbraw/zinc/47/36/89/554473689.db2.gz BDYZFTRDHVQLPU-UHFFFAOYSA-N -1 0 601.106 4.769 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)cc2C)cc1 ZINC000059923644 554473714 /nfs/dbraw/zinc/47/37/14/554473714.db2.gz PJRSCLBDGLTEKF-UHFFFAOYSA-N -1 0 536.635 4.552 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000059923683 554473750 /nfs/dbraw/zinc/47/37/50/554473750.db2.gz KBQUAORSHTUGFP-AREMUKBSSA-N -1 0 580.091 4.957 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000059923689 554473695 /nfs/dbraw/zinc/47/36/95/554473695.db2.gz KBQUAORSHTUGFP-SANMLTNESA-N -1 0 580.091 4.957 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(OC)c(OC)c3)cc2)c1 ZINC000059923728 554474048 /nfs/dbraw/zinc/47/40/48/554474048.db2.gz WBYVLQPSMGTYDR-INIZCTEOSA-N -1 0 532.640 4.641 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)cc2)c1 ZINC000059923730 554473978 /nfs/dbraw/zinc/47/39/78/554473978.db2.gz WBYVLQPSMGTYDR-MRXNPFEDSA-N -1 0 532.640 4.641 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)cc2Cl)cc1 ZINC000059923772 554474105 /nfs/dbraw/zinc/47/41/05/554474105.db2.gz XWFHTEGVMPFNKJ-UHFFFAOYSA-N -1 0 557.053 4.897 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000059923898 554474371 /nfs/dbraw/zinc/47/43/71/554474371.db2.gz NQTIGNVCISBVKU-UHFFFAOYSA-N -1 0 593.731 4.654 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)c2C)cc1 ZINC000059924040 554474704 /nfs/dbraw/zinc/47/47/04/554474704.db2.gz FKTHSWVFCHBSLE-UHFFFAOYSA-N -1 0 565.677 4.564 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059924076 554474633 /nfs/dbraw/zinc/47/46/33/554474633.db2.gz XWGWRRABOSTFHR-NDEPHWFRSA-N -1 0 544.658 4.909 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059924081 554474719 /nfs/dbraw/zinc/47/47/19/554474719.db2.gz XWGWRRABOSTFHR-MUUNZHRXSA-N -1 0 544.658 4.909 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c(Cl)c2)cc1 ZINC000059924156 554475018 /nfs/dbraw/zinc/47/50/18/554475018.db2.gz ANWHQPBGKSOHME-UHFFFAOYSA-N -1 0 557.053 4.897 40 0 KJABRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)ccc2C)c1C ZINC000059924190 554475062 /nfs/dbraw/zinc/47/50/62/554475062.db2.gz FSJJWFVXMFYKBH-UHFFFAOYSA-N -1 0 550.662 4.861 40 0 KJABRM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)ccc1C ZINC000059924223 554474963 /nfs/dbraw/zinc/47/49/63/554474963.db2.gz AGVXENAZGIYQDT-UHFFFAOYSA-N -1 0 536.635 4.552 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)c2)cc1 ZINC000059924228 554475028 /nfs/dbraw/zinc/47/50/28/554475028.db2.gz HRPVAAJKIQPWLW-UHFFFAOYSA-N -1 0 557.053 4.897 40 0 KJABRM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccc(C)cc2)cc1 ZINC000059924260 554474972 /nfs/dbraw/zinc/47/49/72/554474972.db2.gz CKCFNPVRAVEVET-UHFFFAOYSA-N -1 0 582.729 4.747 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2cccc(C)c2C)cc1 ZINC000059924642 554475871 /nfs/dbraw/zinc/47/58/71/554475871.db2.gz ILRXILJHCHWRBJ-UHFFFAOYSA-N -1 0 593.731 4.654 40 0 KJABRM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000059924808 554476103 /nfs/dbraw/zinc/47/61/03/554476103.db2.gz SORNURVHHIWEDA-UHFFFAOYSA-N -1 0 597.744 4.775 40 0 KJABRM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000059924847 554476203 /nfs/dbraw/zinc/47/62/03/554476203.db2.gz OUGIXUSIDMVOCX-UHFFFAOYSA-N -1 0 578.112 4.803 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000060018001 554488864 /nfs/dbraw/zinc/48/88/64/554488864.db2.gz LCVRXWVNKWRUFE-UHFFFAOYSA-N -1 0 564.689 4.642 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2)cc1 ZINC000060018079 554489077 /nfs/dbraw/zinc/48/90/77/554489077.db2.gz UJMDNPRIXCNTNL-UHFFFAOYSA-N -1 0 563.082 4.959 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000060018234 554489412 /nfs/dbraw/zinc/48/94/12/554489412.db2.gz URXODSKDKNFJBD-UHFFFAOYSA-N -1 0 585.107 4.987 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2cccc(C)c2C)cc1 ZINC000060018450 554489675 /nfs/dbraw/zinc/48/96/75/554489675.db2.gz JSLKPDOGVNJEJD-UHFFFAOYSA-N -1 0 564.689 4.642 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000060018459 554489665 /nfs/dbraw/zinc/48/96/65/554489665.db2.gz QXYUQDGILJZDHH-UHFFFAOYSA-N -1 0 543.026 4.589 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3Cl)cc2)n1 ZINC000060018534 554489945 /nfs/dbraw/zinc/48/99/45/554489945.db2.gz SWOKNZKMDLCQRZ-UHFFFAOYSA-N -1 0 572.068 4.601 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)n1 ZINC000060018538 554489990 /nfs/dbraw/zinc/48/99/90/554489990.db2.gz PSFFFMPSECCMRV-UHFFFAOYSA-N -1 0 521.462 4.529 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2cccc(Cl)c2C)cc1 ZINC000060018606 554489983 /nfs/dbraw/zinc/48/99/83/554489983.db2.gz QTSRSTQGWLHTKX-UHFFFAOYSA-N -1 0 585.107 4.987 40 0 KJABRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)ccc2C)cc1C ZINC000060028127 554490224 /nfs/dbraw/zinc/49/02/24/554490224.db2.gz HLIURVHKRCXSHU-UHFFFAOYSA-N -1 0 550.662 4.861 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)n1 ZINC000060028172 554490855 /nfs/dbraw/zinc/49/08/55/554490855.db2.gz ZWNVBUJXUPGEGS-MUUNZHRXSA-N -1 0 573.700 4.655 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)n1 ZINC000060028173 554490784 /nfs/dbraw/zinc/49/07/84/554490784.db2.gz ZWNVBUJXUPGEGS-NDEPHWFRSA-N -1 0 573.700 4.655 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)n1 ZINC000060028211 554491178 /nfs/dbraw/zinc/49/11/78/554491178.db2.gz BCJWORLGLCLEDY-HHHXNRCGSA-N -1 0 559.673 4.612 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)n1 ZINC000060028212 554491129 /nfs/dbraw/zinc/49/11/29/554491129.db2.gz BCJWORLGLCLEDY-MHZLTWQESA-N -1 0 559.673 4.612 40 0 KJABRM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000060028214 554491098 /nfs/dbraw/zinc/49/10/98/554491098.db2.gz ZTSSJCGUDIWBMJ-UHFFFAOYSA-N -1 0 571.080 4.754 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000060028224 554491487 /nfs/dbraw/zinc/49/14/87/554491487.db2.gz GNWGNEROBCMMKW-UHFFFAOYSA-N -1 0 585.107 4.987 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000060028225 554491496 /nfs/dbraw/zinc/49/14/96/554491496.db2.gz GUHXIGICFMUUDJ-UHFFFAOYSA-N -1 0 564.689 4.642 40 0 KJABRM O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000060028227 554491400 /nfs/dbraw/zinc/49/14/00/554491400.db2.gz WLIDYWAGQPNXID-UHFFFAOYSA-N -1 0 575.043 4.509 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000060028301 554492036 /nfs/dbraw/zinc/49/20/36/554492036.db2.gz NYNXPSXPLQPHDZ-LJAQVGFWSA-N -1 0 558.685 4.951 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000060028302 554492031 /nfs/dbraw/zinc/49/20/31/554492031.db2.gz NYNXPSXPLQPHDZ-GDLZYMKVSA-N -1 0 558.685 4.951 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2cccc(Br)c2)cc1 ZINC000060028318 554492319 /nfs/dbraw/zinc/49/23/19/554492319.db2.gz ZGDUXCCUUBOSMB-UHFFFAOYSA-N -1 0 615.531 4.787 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c2C)cc1 ZINC000060028324 554492199 /nfs/dbraw/zinc/49/21/99/554492199.db2.gz DKZXRGRWSYPJMN-UHFFFAOYSA-N -1 0 536.635 4.552 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000060028331 554492258 /nfs/dbraw/zinc/49/22/58/554492258.db2.gz IREMWOZQPDWXKU-UHFFFAOYSA-N -1 0 614.149 4.998 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4C)c3)cc2)n1 ZINC000060028590 554493772 /nfs/dbraw/zinc/49/37/72/554493772.db2.gz UVHLBUDBPHZJKK-UHFFFAOYSA-N -1 0 565.677 4.564 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)cc2C)cc1 ZINC000060028625 554494030 /nfs/dbraw/zinc/49/40/30/554494030.db2.gz RVXPWMVRNHNKPD-UHFFFAOYSA-N -1 0 536.635 4.552 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)c(Cl)c2)cc1 ZINC000060028646 554494284 /nfs/dbraw/zinc/49/42/84/554494284.db2.gz HHVQBYWTJDNKGM-UHFFFAOYSA-N -1 0 557.053 4.897 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000060028762 554495240 /nfs/dbraw/zinc/49/52/40/554495240.db2.gz ONKMEMNWZAZSGU-UHFFFAOYSA-N -1 0 543.026 4.589 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000060028763 554495329 /nfs/dbraw/zinc/49/53/29/554495329.db2.gz ARKNYNUKJGOTRQ-UHFFFAOYSA-N -1 0 599.694 4.925 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000060028823 554495972 /nfs/dbraw/zinc/49/59/72/554495972.db2.gz YBVLWJNTNWRDLN-UHFFFAOYSA-N -1 0 585.107 4.987 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)cc2Cl)cc1 ZINC000060028826 554495907 /nfs/dbraw/zinc/49/59/07/554495907.db2.gz PDSNTVCDZFXRPS-UHFFFAOYSA-N -1 0 572.068 4.601 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000060028843 554496327 /nfs/dbraw/zinc/49/63/27/554496327.db2.gz GSFGURNVKBIGGE-UHFFFAOYSA-N -1 0 543.026 4.589 40 0 KJABRM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000060028884 554496597 /nfs/dbraw/zinc/49/65/97/554496597.db2.gz OBRYFBGVCQTULT-UHFFFAOYSA-N -1 0 571.080 4.678 40 0 KJABRM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000060028889 554496710 /nfs/dbraw/zinc/49/67/10/554496710.db2.gz OTRGBXWKACSPMK-UHFFFAOYSA-N -1 0 601.106 4.687 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028897 554496602 /nfs/dbraw/zinc/49/66/02/554496602.db2.gz CCHAMQDOWDJGBZ-UHFFFAOYSA-N -1 0 619.647 4.747 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000060028899 554496641 /nfs/dbraw/zinc/49/66/41/554496641.db2.gz JHFCIGRPMALPDU-UHFFFAOYSA-N -1 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600.603 4.683 40 0 KJABRM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000100007481 554178848 /nfs/dbraw/zinc/17/88/48/554178848.db2.gz DVPDTEBJTLGVSI-UHFFFAOYSA-N -1 0 532.359 4.695 40 0 KJABRM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000100007489 554178852 /nfs/dbraw/zinc/17/88/52/554178852.db2.gz CAFDINDQUMRCQP-UHFFFAOYSA-N -1 0 516.769 4.984 40 0 KJABRM COc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])cc1Br ZINC000100007570 554178744 /nfs/dbraw/zinc/17/87/44/554178744.db2.gz WQKBTVXVOTXIHH-UHFFFAOYSA-N -1 0 567.053 4.808 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)c1ccc(I)cc1 ZINC000100007610 554178805 /nfs/dbraw/zinc/17/88/05/554178805.db2.gz UUIZVDKTJPHIEX-UHFFFAOYSA-N -1 0 584.027 4.641 40 0 KJABRM Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Br)cc1C(=O)[O-] ZINC000100007632 554178789 /nfs/dbraw/zinc/17/87/89/554178789.db2.gz WPVZREYGRMGCCS-UHFFFAOYSA-N -1 0 581.080 4.873 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)c1cccc(I)c1 ZINC000100007642 554178845 /nfs/dbraw/zinc/17/88/45/554178845.db2.gz ZBXUZCHBYCDGRA-UHFFFAOYSA-N -1 0 584.027 4.641 40 0 KJABRM COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000100007659 554178795 /nfs/dbraw/zinc/17/87/95/554178795.db2.gz FJEOZAUAACAGFB-VOTSOKGWSA-N -1 0 528.222 4.753 40 0 KJABRM O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1cc(I)ccc1Cl ZINC000100007676 554178812 /nfs/dbraw/zinc/17/88/12/554178812.db2.gz CZRXNPVHVKSWIN-UHFFFAOYSA-N -1 0 539.576 4.532 40 0 KJABRM CCCOc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1 ZINC000100007689 554179055 /nfs/dbraw/zinc/17/90/55/554179055.db2.gz TXNBQUHYSPLYJY-UHFFFAOYSA-N -1 0 610.211 4.510 40 0 KJABRM O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000100007733 554179072 /nfs/dbraw/zinc/17/90/72/554179072.db2.gz KMTNWBRASAOJIG-UHFFFAOYSA-N -1 0 602.191 4.874 40 0 KJABRM CC(C)c1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000100007744 554179103 /nfs/dbraw/zinc/17/91/03/554179103.db2.gz IDNUAJBBVWWNBA-UHFFFAOYSA-N -1 0 594.212 4.844 40 0 KJABRM CCCOc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000100007755 554179108 /nfs/dbraw/zinc/17/91/08/554179108.db2.gz QHPDTTLRRBWTDU-UHFFFAOYSA-N -1 0 610.211 4.510 40 0 KJABRM O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000100007917 554179067 /nfs/dbraw/zinc/17/90/67/554179067.db2.gz PFMKFTCPLVHZGC-UHFFFAOYSA-N -1 0 602.191 4.874 40 0 KJABRM Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000100008044 554179313 /nfs/dbraw/zinc/17/93/13/554179313.db2.gz PZYQPBBLUZLDBI-UHFFFAOYSA-N -1 0 536.629 4.764 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)c1ccccc1Br ZINC000100008127 554179332 /nfs/dbraw/zinc/17/93/32/554179332.db2.gz FHHFURGKAKXCFX-UHFFFAOYSA-N -1 0 537.027 4.799 40 0 KJABRM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000100008197 554179540 /nfs/dbraw/zinc/17/95/40/554179540.db2.gz VJWJWQBAWXJHKG-UHFFFAOYSA-N -1 0 522.602 4.699 40 0 KJABRM Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000100008214 554179567 /nfs/dbraw/zinc/17/95/67/554179567.db2.gz OGYAJFXQDHPBRA-UHFFFAOYSA-N -1 0 536.629 4.764 40 0 KJABRM CC(C)Oc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])cc1 ZINC000100008227 554179584 /nfs/dbraw/zinc/17/95/84/554179584.db2.gz XKVYDPPIDRREGW-UHFFFAOYSA-N -1 0 516.211 4.824 40 0 KJABRM COc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])cc1Cl ZINC000100008230 554179566 /nfs/dbraw/zinc/17/95/66/554179566.db2.gz FJJADLPVCVLGLS-UHFFFAOYSA-N -1 0 522.602 4.699 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)c1ccccc1I ZINC000100008248 554179585 /nfs/dbraw/zinc/17/95/85/554179585.db2.gz PGXCXHKVDLBGMD-UHFFFAOYSA-N -1 0 584.027 4.641 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)c1ccc(Br)cc1 ZINC000100008273 554179559 /nfs/dbraw/zinc/17/95/59/554179559.db2.gz YHUPCIDTIGIULC-UHFFFAOYSA-N -1 0 537.027 4.799 40 0 KJABRM CC(C)Oc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000100008322 554179533 /nfs/dbraw/zinc/17/95/33/554179533.db2.gz YJTVNLORSMVTFE-UHFFFAOYSA-N -1 0 610.211 4.508 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)c1cccc(Br)c1 ZINC000100008442 554179814 /nfs/dbraw/zinc/17/98/14/554179814.db2.gz XQIZPCBIPCVHAH-UHFFFAOYSA-N -1 0 537.027 4.799 40 0 KJABRM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000100008494 554179766 /nfs/dbraw/zinc/17/97/66/554179766.db2.gz JZJAVWZPDARNEM-UHFFFAOYSA-N -1 0 522.602 4.699 40 0 KJABRM O=C([O-])c1cc(Br)cc(Br)c1NC(=S)NC(=O)COc1ccc(Br)cc1 ZINC000100008495 554179794 /nfs/dbraw/zinc/17/97/94/554179794.db2.gz HMADRINBZIVJOC-UHFFFAOYSA-N -1 0 567.053 4.564 40 0 KJABRM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000100008536 554179770 /nfs/dbraw/zinc/17/97/70/554179770.db2.gz UQIYPQPGHALKCA-UHFFFAOYSA-N -1 0 522.602 4.699 40 0 KJABRM Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000100008581 554180045 /nfs/dbraw/zinc/18/00/45/554180045.db2.gz RGSAQGQHAAPACN-UHFFFAOYSA-N -1 0 536.629 4.764 40 0 KJABRM Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000100008617 554180058 /nfs/dbraw/zinc/18/00/58/554180058.db2.gz JOBLXALKNHMFNV-UHFFFAOYSA-N -1 0 536.629 4.764 40 0 KJABRM CC(C)c1ccc(OCC(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])cc1 ZINC000100008714 554180322 /nfs/dbraw/zinc/18/03/22/554180322.db2.gz IFECXLIMCRBEKO-UHFFFAOYSA-N -1 0 530.238 4.925 40 0 KJABRM COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000100008758 554180346 /nfs/dbraw/zinc/18/03/46/554180346.db2.gz NOQCGLFFNILLLP-AATRIKPKSA-N -1 0 528.222 4.753 40 0 KJABRM CC(C)Oc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1 ZINC000100008806 554180340 /nfs/dbraw/zinc/18/03/40/554180340.db2.gz MFQUNEWSGURDQO-UHFFFAOYSA-N -1 0 610.211 4.508 40 0 KJABRM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000100008809 554180365 /nfs/dbraw/zinc/18/03/65/554180365.db2.gz YIWDRCFCTDJGEM-UHFFFAOYSA-N -1 0 522.602 4.699 40 0 KJABRM CCCOc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])cc1 ZINC000100008841 554180371 /nfs/dbraw/zinc/18/03/71/554180371.db2.gz JQUZVKDOBGIMGB-UHFFFAOYSA-N -1 0 516.211 4.825 40 0 KJABRM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1cccc(COc2ccccc2)c1 ZINC000100008874 554180319 /nfs/dbraw/zinc/18/03/19/554180319.db2.gz JGWNNCUBYFHXKN-UHFFFAOYSA-N -1 0 532.359 4.695 40 0 KJABRM CCCOc1cccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])c1 ZINC000100008925 554180351 /nfs/dbraw/zinc/18/03/51/554180351.db2.gz VFEXADRUXGEIEB-UHFFFAOYSA-N -1 0 516.211 4.825 40 0 KJABRM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000100008969 554180613 /nfs/dbraw/zinc/18/06/13/554180613.db2.gz GXBDDPBAGQVHTI-QHHAFSJGSA-N -1 0 521.163 4.823 40 0 KJABRM Cc1cc(OCC(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])ccc1Cl ZINC000100008975 554180583 /nfs/dbraw/zinc/18/05/83/554180583.db2.gz XPDQFPBNZHLBCP-UHFFFAOYSA-N -1 0 536.629 4.764 40 0 KJABRM CC(C)Oc1cccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)[O-])c1 ZINC000100009025 554180675 /nfs/dbraw/zinc/18/06/75/554180675.db2.gz MBIRJYQCZWGJFI-UHFFFAOYSA-N -1 0 516.211 4.824 40 0 KJABRM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)cc2)c1 ZINC000100090726 554211037 /nfs/dbraw/zinc/21/10/37/554211037.db2.gz ALYBAXGREVXXDG-UHFFFAOYSA-N -1 0 527.649 4.910 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000100091273 554211489 /nfs/dbraw/zinc/21/14/89/554211489.db2.gz SECIQTZOLRFBCD-LJAQVGFWSA-N -1 0 607.710 4.541 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000100091276 554211351 /nfs/dbraw/zinc/21/13/51/554211351.db2.gz SECIQTZOLRFBCD-GDLZYMKVSA-N -1 0 607.710 4.541 40 0 KJABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)c(OC)c1 ZINC000100092748 554213190 /nfs/dbraw/zinc/21/31/90/554213190.db2.gz LNWZHRYWLKLPOU-UHFFFAOYSA-N -1 0 587.701 4.644 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)c1 ZINC000100092897 554213587 /nfs/dbraw/zinc/21/35/87/554213587.db2.gz QHQFBZCAPGYCKU-UHFFFAOYSA-N -1 0 531.439 4.753 40 0 KJABRM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1)c1cccc(Cl)c1 ZINC000100093058 554213492 /nfs/dbraw/zinc/21/34/92/554213492.db2.gz OULWKCRUINZODF-UHFFFAOYSA-N -1 0 577.109 4.816 40 0 KJABRM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)C2)cc1 ZINC000100094003 554214296 /nfs/dbraw/zinc/21/42/96/554214296.db2.gz AXLLELISBFMNQO-QFIPXVFZSA-N -1 0 579.700 4.689 40 0 KJABRM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)C2)cc1 ZINC000100094005 554214304 /nfs/dbraw/zinc/21/43/04/554214304.db2.gz AXLLELISBFMNQO-JOCHJYFZSA-N -1 0 579.700 4.689 40 0 KJABRM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1OC ZINC000100095274 554215886 /nfs/dbraw/zinc/21/58/86/554215886.db2.gz BYBIPZYTAIRECT-UHFFFAOYSA-N -1 0 565.673 4.791 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2C)cc1 ZINC000100096248 554217348 /nfs/dbraw/zinc/21/73/48/554217348.db2.gz RJQNWOWFHUALNF-UHFFFAOYSA-N -1 0 542.664 4.614 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)c1 ZINC000100096432 554217399 /nfs/dbraw/zinc/21/73/99/554217399.db2.gz DUVXWRBUMJOQGS-UHFFFAOYSA-N -1 0 587.701 4.644 40 0 KJABRM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 ZINC000100110012 554221243 /nfs/dbraw/zinc/22/12/43/554221243.db2.gz AYKXAZJNDDXPMI-UHFFFAOYSA-N -1 0 533.572 4.542 40 0 KJABRM CCCN(CCNNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000100180397 554241606 /nfs/dbraw/zinc/24/16/06/554241606.db2.gz RNCVCYXBYUABNI-VMPITWQZSA-N -1 0 540.391 4.810 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)n1 ZINC000100187969 554243330 /nfs/dbraw/zinc/24/33/30/554243330.db2.gz FAQFSSOXFVENBA-UHFFFAOYSA-N -1 0 547.475 4.972 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100189976 554244350 /nfs/dbraw/zinc/24/43/50/554244350.db2.gz AWPXGDJVQHZKRJ-ZGOFBEGVSA-N -1 0 556.640 4.880 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100189979 554244449 /nfs/dbraw/zinc/24/44/49/554244449.db2.gz AWPXGDJVQHZKRJ-BIWBSIMWSA-N -1 0 556.640 4.880 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100217254 554250905 /nfs/dbraw/zinc/25/09/05/554250905.db2.gz KUMLNZSIYADDCV-CBYYHRJHSA-N -1 0 563.031 4.718 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100217259 554250953 /nfs/dbraw/zinc/25/09/53/554250953.db2.gz KUMLNZSIYADDCV-PNZYDNNZSA-N -1 0 563.031 4.718 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100217319 554250957 /nfs/dbraw/zinc/25/09/57/554250957.db2.gz OTMFZXLZZIZIQH-CBYYHRJHSA-N -1 0 563.031 4.718 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100217325 554250866 /nfs/dbraw/zinc/25/08/66/554250866.db2.gz OTMFZXLZZIZIQH-PNZYDNNZSA-N -1 0 563.031 4.718 40 0 KJABRM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)sc2=N1 ZINC000100220666 554251803 /nfs/dbraw/zinc/25/18/03/554251803.db2.gz NIOVYAJLGDPUGP-DAMVKRJQSA-N -1 0 595.888 4.610 40 0 KJABRM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)sc2=N1 ZINC000100220669 554251759 /nfs/dbraw/zinc/25/17/59/554251759.db2.gz NIOVYAJLGDPUGP-QRYXZWMLSA-N -1 0 595.888 4.610 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000100221160 554251764 /nfs/dbraw/zinc/25/17/64/554251764.db2.gz YNSFYKOVUJWGGJ-LYRGBEMXSA-N -1 0 566.994 4.549 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000100221164 554251808 /nfs/dbraw/zinc/25/18/08/554251808.db2.gz YNSFYKOVUJWGGJ-JGTYQCAFSA-N -1 0 566.994 4.549 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100263685 554266262 /nfs/dbraw/zinc/26/62/62/554266262.db2.gz WDKQMFMJBQXXTM-CFEDROAVSA-N -1 0 606.656 4.902 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100263688 554266294 /nfs/dbraw/zinc/26/62/94/554266294.db2.gz WDKQMFMJBQXXTM-BFOKUZPWSA-N -1 0 606.656 4.902 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000100264243 554266605 /nfs/dbraw/zinc/26/66/05/554266605.db2.gz KZLRKSVNZPYGRB-KFVRLDSISA-N -1 0 568.276 4.573 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000100264248 554266626 /nfs/dbraw/zinc/26/66/26/554266626.db2.gz KZLRKSVNZPYGRB-OJEAVSNDSA-N -1 0 568.276 4.573 40 0 KJABRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000100266311 554266937 /nfs/dbraw/zinc/26/69/37/554266937.db2.gz PYSYFBNQGXIBBA-NSOVKSMOSA-N -1 0 585.701 4.844 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000100306914 554295082 /nfs/dbraw/zinc/29/50/82/554295082.db2.gz ZICKEIARFQYEAF-MGSPXPDISA-N -1 0 593.455 4.519 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000100306918 554295220 /nfs/dbraw/zinc/29/52/20/554295220.db2.gz ZICKEIARFQYEAF-XPCGLTFESA-N -1 0 593.455 4.519 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100307518 554296161 /nfs/dbraw/zinc/29/61/61/554296161.db2.gz ODVSFTLQLIGOFB-YLKQWKBVSA-N -1 0 620.639 4.623 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100307528 554296203 /nfs/dbraw/zinc/29/62/03/554296203.db2.gz ODVSFTLQLIGOFB-CCLVUABDSA-N -1 0 620.639 4.623 40 0 KJABRM O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1cccc(I)c1 ZINC000100309746 554298976 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O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1 ZINC000100322376 554306662 /nfs/dbraw/zinc/30/66/62/554306662.db2.gz CPIDKGYOLYAKPY-XDHOZWIPSA-N -1 0 526.368 4.613 40 0 KJABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000100353241 554331937 /nfs/dbraw/zinc/33/19/37/554331937.db2.gz OUDICYAKLFFWEP-GGXMVOPNSA-N -1 0 626.069 4.945 40 0 KJABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000100353246 554331873 /nfs/dbraw/zinc/33/18/73/554331873.db2.gz OUDICYAKLFFWEP-UHSQPCAPSA-N -1 0 626.069 4.945 40 0 KJABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000100353254 554331889 /nfs/dbraw/zinc/33/18/89/554331889.db2.gz OUDICYAKLFFWEP-LITSAYRRSA-N -1 0 626.069 4.945 40 0 KJABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100353275 554331788 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O=S(=O)([N-][C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000100420057 554385710 /nfs/dbraw/zinc/38/57/10/554385710.db2.gz WDZVWDXOIGQJIO-UJKQEGAGSA-N -1 0 517.925 4.669 40 0 in-vitro KJABRM COc1cc(N(C(=O)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c(OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000100474718 554400348 /nfs/dbraw/zinc/40/03/48/554400348.db2.gz MMJMTHUEZUNATQ-UHFFFAOYSA-N -1 0 602.637 4.747 40 0 KJABRM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5cccc6ccccc65)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000100490309 554402657 /nfs/dbraw/zinc/40/26/57/554402657.db2.gz YXRWXGLNQSUYFB-BKHJTQGXSA-N -1 0 542.599 4.819 40 0 KJABRM CCCCOc1ccc([C@@]2(C(=O)N[C@@H]3C(=O)N4[C@@H]3SC(C)(C)[C@@H]4C(=O)[O-])CCC[C@H]2Cc2ccccc2)cc1 ZINC000100758366 554467389 /nfs/dbraw/zinc/46/73/89/554467389.db2.gz IANGZIANUPJCHX-NBLIAHSUSA-N -1 0 550.721 4.778 40 0 KJABRM CCCCOc1ccc([C@@]2(C(=O)N[C@@H]3C(=O)N4[C@@H]3SC(C)(C)[C@@H]4C(=O)[O-])CCC[C@@H]2Cc2ccccc2)cc1 ZINC000100758369 554467457 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571453851 /nfs/dbraw/zinc/45/38/51/571453851.db2.gz PRGPHOCNJNLFQE-LJAQVGFWSA-N -1 0 587.727 4.963 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000139740172 571453849 /nfs/dbraw/zinc/45/38/49/571453849.db2.gz GAWMPDDEAHXHAF-UHFFFAOYSA-N -1 0 600.122 4.690 40 0 KJABRM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccc(C)cc2)cc1 ZINC000140037027 571454629 /nfs/dbraw/zinc/45/46/29/571454629.db2.gz MZZRJCSRCURFDP-UHFFFAOYSA-N -1 0 611.771 4.759 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000140045406 571454546 /nfs/dbraw/zinc/45/45/46/571454546.db2.gz ZONQOLJBAGTKNZ-UHFFFAOYSA-N -1 0 549.055 4.650 40 0 KJABRM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000140045887 571454573 /nfs/dbraw/zinc/45/45/73/571454573.db2.gz IEABOBFYCSIZHM-UHFFFAOYSA-N -1 0 571.080 4.678 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2cccc(Cl)c2)cc1 ZINC000140050088 571454775 /nfs/dbraw/zinc/45/47/75/571454775.db2.gz FNLKHHCGUFVKPE-UHFFFAOYSA-N -1 0 571.080 4.678 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)n1 ZINC000140053238 571454784 /nfs/dbraw/zinc/45/47/84/571454784.db2.gz KOOGNWIUMLGATN-UHFFFAOYSA-N -1 0 579.704 4.873 40 0 KJABRM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000140060297 571454710 /nfs/dbraw/zinc/45/47/10/571454710.db2.gz JGPOFJJWOCHBPE-UHFFFAOYSA-N -1 0 601.106 4.687 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2Cl)cc1 ZINC000140061539 571454798 /nfs/dbraw/zinc/45/47/98/571454798.db2.gz JUHDDADOZCQEDK-UHFFFAOYSA-N -1 0 563.082 4.959 40 0 KJABRM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)ccc2C)c1 ZINC000140068215 571454772 /nfs/dbraw/zinc/45/47/72/571454772.db2.gz PDYPREPCNVMYEG-UHFFFAOYSA-N -1 0 550.662 4.861 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)c(Cl)c2)cc1 ZINC000140086440 571455041 /nfs/dbraw/zinc/45/50/41/571455041.db2.gz KECMCQROSLXDFR-UHFFFAOYSA-N -1 0 586.095 4.909 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000140091212 571455007 /nfs/dbraw/zinc/45/50/07/571455007.db2.gz KUFYOGDLLDQCPI-UHFFFAOYSA-N -1 0 600.122 4.690 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000140093544 571455003 /nfs/dbraw/zinc/45/50/03/571455003.db2.gz SNIVOMDGFZRZPY-UHFFFAOYSA-N -1 0 549.055 4.650 40 0 KJABRM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000140097888 571455051 /nfs/dbraw/zinc/45/50/51/571455051.db2.gz NPGYEJQPLNEOME-UHFFFAOYSA-N -1 0 606.513 4.803 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccc(C)cc2C)cc1 ZINC000140112031 571455238 /nfs/dbraw/zinc/45/52/38/571455238.db2.gz YUYUJLGITAXZTO-UHFFFAOYSA-N -1 0 593.731 4.654 40 0 KJABRM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000140120849 571455153 /nfs/dbraw/zinc/45/51/53/571455153.db2.gz ROKDCPUXYPSGCT-UHFFFAOYSA-N -1 0 571.080 4.754 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2cc(C)ccc2C)cc1 ZINC000140127228 571455339 /nfs/dbraw/zinc/45/53/39/571455339.db2.gz QSCYNGIPOAGDSJ-UHFFFAOYSA-N -1 0 593.731 4.654 40 0 KJABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)n1 ZINC000140131024 571455317 /nfs/dbraw/zinc/45/53/17/571455317.db2.gz UVJIQVMYJNXWSU-UHFFFAOYSA-N -1 0 565.677 4.564 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000140135632 571455315 /nfs/dbraw/zinc/45/53/15/571455315.db2.gz NECMCSONEKXLGQ-NDEPHWFRSA-N -1 0 544.658 4.909 40 0 KJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000140135766 571455332 /nfs/dbraw/zinc/45/53/32/571455332.db2.gz NECMCSONEKXLGQ-MUUNZHRXSA-N -1 0 544.658 4.909 40 0 KJABRM Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2C)c1 ZINC000140136916 571455306 /nfs/dbraw/zinc/45/53/06/571455306.db2.gz VUZAAPFFZOTRJZ-UHFFFAOYSA-N -1 0 550.662 4.861 40 0 KJABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)c(Cl)c2)cc1 ZINC000140138360 571455325 /nfs/dbraw/zinc/45/53/25/571455325.db2.gz CMZOSVMVPGBLOR-UHFFFAOYSA-N -1 0 572.068 4.601 40 0 KJABRM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)ccc2C)c1 ZINC000140139809 571455301 /nfs/dbraw/zinc/45/53/01/571455301.db2.gz GEDYPMASFIPPSJ-UHFFFAOYSA-N -1 0 579.704 4.873 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2cccc(Cl)c2)cc1 ZINC000140142830 571455456 /nfs/dbraw/zinc/45/54/56/571455456.db2.gz MRBYRHRIWSIPRU-UHFFFAOYSA-N -1 0 571.080 4.678 40 0 KJABRM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000140143721 571455433 /nfs/dbraw/zinc/45/54/33/571455433.db2.gz XSYYCCZTGUBGGU-UHFFFAOYSA-N -1 0 564.689 4.642 40 0 KJABRM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000140339619 571455444 /nfs/dbraw/zinc/45/54/44/571455444.db2.gz WMMOEILLVDFMEE-UHFFFAOYSA-N -1 0 571.080 4.678 40 0 KJABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)n1 ZINC000140344770 571455516 /nfs/dbraw/zinc/45/55/16/571455516.db2.gz JAEWWBZLXCGDIP-UHFFFAOYSA-N -1 0 600.122 4.766 40 0 KJABRM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000140350710 571455676 /nfs/dbraw/zinc/45/56/76/571455676.db2.gz IDAPKIOLPGXEFW-UHFFFAOYSA-N -1 0 566.101 4.705 40 0 KJABRM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000140353099 571455595 /nfs/dbraw/zinc/45/55/95/571455595.db2.gz HRUNVNNBLKKBHL-UHFFFAOYSA-N -1 0 557.053 4.613 40 0 KJABRM O=C([O-])c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000145091505 571456540 /nfs/dbraw/zinc/45/65/40/571456540.db2.gz JUUNDNGJYZDCAZ-UHFFFAOYSA-N -1 0 514.484 4.826 40 0 KJABRM COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000145622056 571456668 /nfs/dbraw/zinc/45/66/68/571456668.db2.gz CXHHHDISXHFTRX-JJFYIABZSA-N -1 0 537.391 4.505 40 0 KJABRM CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000147875388 571456911 /nfs/dbraw/zinc/45/69/11/571456911.db2.gz ORBYYMPVFRQEER-XKZIYDEJSA-N -1 0 506.967 4.786 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000147922903 571456904 /nfs/dbraw/zinc/45/69/04/571456904.db2.gz KUMLNZSIYADDCV-AQIZGWBQSA-N -1 0 563.031 4.718 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000147923103 571456903 /nfs/dbraw/zinc/45/69/03/571456903.db2.gz KUMLNZSIYADDCV-ZDGAQAAHSA-N -1 0 563.031 4.718 40 0 KJABRM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000150338799 562843118 /nfs/dbraw/zinc/84/31/18/562843118.db2.gz NGNZQSPFQJCBJQ-DWCHZDDLSA-N -1 0 785.983 4.724 40 0 KJABRM O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000150339155 571457372 /nfs/dbraw/zinc/45/73/72/571457372.db2.gz SLWMKSMUFPMDKA-MEROQGEASA-N -1 0 707.894 4.667 40 0 KJABRM COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150340721 571457959 /nfs/dbraw/zinc/45/79/59/571457959.db2.gz XQFLSGUZSODAOB-OJDZSJEKSA-N -1 0 739.782 4.804 40 0 KJABRM COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)[O-])cc2ccccc21 ZINC000150340776 571457957 /nfs/dbraw/zinc/45/79/57/571457957.db2.gz KOHRTTCWUYWOAB-ZDCRTTOTSA-N -1 0 680.802 4.638 40 0 KJABRM Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(I)cc1C(=O)[O-] ZINC000150341403 571458182 /nfs/dbraw/zinc/45/81/82/571458182.db2.gz UJOAYMSGFQRGET-UHFFFAOYSA-N -1 0 628.080 4.715 40 0 KJABRM CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000150341654 571458297 /nfs/dbraw/zinc/45/82/97/571458297.db2.gz QALMVLGUZBOTEC-UHFFFAOYSA-N -1 0 638.265 4.784 40 0 KJABRM CC(C)COc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000150341733 571458286 /nfs/dbraw/zinc/45/82/86/571458286.db2.gz VQRLROUMGQSXHW-UHFFFAOYSA-N -1 0 624.238 4.756 40 0 KJABRM CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1 ZINC000150341762 571458343 /nfs/dbraw/zinc/45/83/43/571458343.db2.gz MZHAFPWGEJLAIW-SNVBAGLBSA-N -1 0 624.238 4.898 40 0 KJABRM CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1 ZINC000150341763 571458352 /nfs/dbraw/zinc/45/83/52/571458352.db2.gz MZHAFPWGEJLAIW-JTQLQIEISA-N -1 0 624.238 4.898 40 0 KJABRM COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)[O-] ZINC000150341792 571458332 /nfs/dbraw/zinc/45/83/32/571458332.db2.gz SDOLEBDXYDACSI-GORDUTHDSA-N -1 0 687.091 4.892 40 0 KJABRM Cc1cc(OCC(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc(C)c1Cl ZINC000150341808 571458341 /nfs/dbraw/zinc/45/83/41/571458341.db2.gz ZLHOMLMPGWUCPH-UHFFFAOYSA-N -1 0 644.656 4.756 40 0 KJABRM CCCCOc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000150341823 571458379 /nfs/dbraw/zinc/45/83/79/571458379.db2.gz RODNZDCXGZKUFS-UHFFFAOYSA-N -1 0 624.238 4.900 40 0 KJABRM Cc1c(NC(=S)NC(=O)c2cc(I)cc(I)c2Br)cccc1C(=O)[O-] ZINC000150341907 571458399 /nfs/dbraw/zinc/45/83/99/571458399.db2.gz VPJSEAODNNPRCQ-UHFFFAOYSA-N -1 0 645.054 4.792 40 0 KJABRM O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl ZINC000150341925 571458455 /nfs/dbraw/zinc/45/84/55/571458455.db2.gz SZPDTDDCJQMONF-UHFFFAOYSA-N -1 0 651.047 4.793 40 0 KJABRM O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1cc(I)ccc1Cl ZINC000150341968 571458479 /nfs/dbraw/zinc/45/84/79/571458479.db2.gz XLLLZXWGTMRUTP-UHFFFAOYSA-N -1 0 712.472 4.979 40 0 KJABRM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000150341979 571458470 /nfs/dbraw/zinc/45/84/70/571458470.db2.gz LWXYZYFXCASEKG-SNVBAGLBSA-N -1 0 624.238 4.898 40 0 KJABRM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000150341982 571458403 /nfs/dbraw/zinc/45/84/03/571458403.db2.gz LWXYZYFXCASEKG-JTQLQIEISA-N -1 0 624.238 4.898 40 0 KJABRM CCOc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1Br ZINC000150342014 571458447 /nfs/dbraw/zinc/45/84/47/571458447.db2.gz FYXRZKZWLDIINQ-UHFFFAOYSA-N -1 0 675.080 4.882 40 0 KJABRM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)[O-] ZINC000150342030 571458410 /nfs/dbraw/zinc/45/84/10/571458410.db2.gz FGBXTBGTODKZAB-UHFFFAOYSA-N -1 0 632.217 4.883 40 0 KJABRM O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)CSc1ccc(Cl)cc1 ZINC000150342103 571458422 /nfs/dbraw/zinc/45/84/22/571458422.db2.gz NIWNMRHWBOLNKX-UHFFFAOYSA-N -1 0 632.670 4.853 40 0 KJABRM CCCCOc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1 ZINC000150342172 571458505 /nfs/dbraw/zinc/45/85/05/571458505.db2.gz CLODZIZAUNMYJJ-UHFFFAOYSA-N -1 0 624.238 4.900 40 0 KJABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc(I)cc(I)c1Br ZINC000150342209 571458506 /nfs/dbraw/zinc/45/85/06/571458506.db2.gz KADZPPYFVAQJNK-UHFFFAOYSA-N -1 0 645.054 4.792 40 0 KJABRM CCOc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1Cl ZINC000150342220 571458518 /nfs/dbraw/zinc/45/85/18/571458518.db2.gz RYEXMDADIFRHSL-UHFFFAOYSA-N -1 0 630.629 4.773 40 0 KJABRM CC(C)COc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1 ZINC000150342259 571458525 /nfs/dbraw/zinc/45/85/25/571458525.db2.gz RZADAZUFGPGBEB-UHFFFAOYSA-N -1 0 624.238 4.756 40 0 KJABRM O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000150342290 571458550 /nfs/dbraw/zinc/45/85/50/571458550.db2.gz DSDRKTUEXOGFNE-ZZXKWVIFSA-N -1 0 612.614 4.774 40 0 KJABRM CC(C)c1ccc(OCC(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1 ZINC000150342324 571458516 /nfs/dbraw/zinc/45/85/16/571458516.db2.gz GSNAHPJDWPAYNH-UHFFFAOYSA-N -1 0 624.238 4.609 40 0 KJABRM O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1cc(I)ccc1I ZINC000150342352 571458683 /nfs/dbraw/zinc/45/86/83/571458683.db2.gz HCALBJSGBOEISE-UHFFFAOYSA-N -1 0 803.923 4.930 40 0 KJABRM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(I)cc1C(=O)[O-] ZINC000150342415 571458634 /nfs/dbraw/zinc/45/86/34/571458634.db2.gz PNMZQDNKUBGVKU-UHFFFAOYSA-N -1 0 614.053 4.650 40 0 KJABRM COc1ccccc1NC(=O)Nc1nc(Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)nc(Oc2cccc(O)c2)n1 ZINC000150344228 571459220 /nfs/dbraw/zinc/45/92/20/571459220.db2.gz PGDMKUNWBDZSMZ-UHFFFAOYSA-N -1 0 629.659 4.973 40 0 KJABRM O=C([O-])[C@H]1C[C@]2(Br)C(Br)=C(Br)[C@@]1(Br)C2(Br)Br ZINC000150371450 571465776 /nfs/dbraw/zinc/46/57/76/571465776.db2.gz CVMNXPGLNRDDTA-HJLOGROSSA-N -1 0 611.542 4.859 40 0 KJABRM O=C([O-])[C@@H]1C[C@]2(Br)C(Br)=C(Br)[C@@]1(Br)C2(Br)Br ZINC000150371453 571465875 /nfs/dbraw/zinc/46/58/75/571465875.db2.gz CVMNXPGLNRDDTA-CFHWFIACSA-N -1 0 611.542 4.859 40 0 KJABRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000150372322 571465945 /nfs/dbraw/zinc/46/59/45/571465945.db2.gz NGNZQSPFQJCBJQ-LTLCPEALSA-N -1 0 785.983 4.724 40 0 KJABRM COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150377479 571466528 /nfs/dbraw/zinc/46/65/28/571466528.db2.gz BFLIQZBINOVDJD-RKKDRKJOSA-N -1 0 699.757 4.928 40 0 KJABRM Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1 ZINC000150383038 571467480 /nfs/dbraw/zinc/46/74/80/571467480.db2.gz QJRWORVGNSASBW-UHFFFAOYSA-N -1 0 638.265 4.918 40 0 KJABRM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000150387056 571469633 /nfs/dbraw/zinc/46/96/33/571469633.db2.gz LOFWZMFPNNZYQC-BFMBIBTESA-N -1 0 629.368 4.677 40 0 KJABRM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000150387057 571469635 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COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])C=C3C)nc2c1 ZINC000225399273 291866925 /nfs/dbraw/zinc/86/69/25/291866925.db2.gz LLLYSRWGRLAUJB-HPAIXVDQSA-N -1 0 509.647 4.754 40 0 biogenic,in-vitro KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1 ZINC000225407998 571777007 /nfs/dbraw/zinc/77/70/07/571777007.db2.gz HZBNAUPWFQNRNR-ZEQRLZLVSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1 ZINC000225408038 571776844 /nfs/dbraw/zinc/77/68/44/571776844.db2.gz HZBNAUPWFQNRNR-RPWUZVMVSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1 ZINC000225408088 571776955 /nfs/dbraw/zinc/77/69/55/571776955.db2.gz HZBNAUPWFQNRNR-BJKOFHAPSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1 ZINC000225408139 571776839 /nfs/dbraw/zinc/77/68/39/571776839.db2.gz HZBNAUPWFQNRNR-DNQXCXABSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000225408192 571776851 /nfs/dbraw/zinc/77/68/51/571776851.db2.gz WOQDLUPLGOQLDH-ZEQRLZLVSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000225408236 571776926 /nfs/dbraw/zinc/77/69/26/571776926.db2.gz WOQDLUPLGOQLDH-RPWUZVMVSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000225408279 571776900 /nfs/dbraw/zinc/77/69/00/571776900.db2.gz WOQDLUPLGOQLDH-BJKOFHAPSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000225408315 571777016 /nfs/dbraw/zinc/77/70/16/571777016.db2.gz WOQDLUPLGOQLDH-DNQXCXABSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000225408379 571777031 /nfs/dbraw/zinc/77/70/31/571777031.db2.gz LVDDVKLYALJNKK-ZEQRLZLVSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000225408422 571776913 /nfs/dbraw/zinc/77/69/13/571776913.db2.gz LVDDVKLYALJNKK-RPWUZVMVSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000225408467 571777525 /nfs/dbraw/zinc/77/75/25/571777525.db2.gz LVDDVKLYALJNKK-BJKOFHAPSA-N -1 0 534.619 4.588 40 0 KJABRM CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000225408512 571777406 /nfs/dbraw/zinc/77/74/06/571777406.db2.gz LVDDVKLYALJNKK-DNQXCXABSA-N -1 0 534.619 4.588 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410078 571778405 /nfs/dbraw/zinc/77/84/05/571778405.db2.gz HSABKCJNWNWCOJ-JWQCQUIFSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410122 571778322 /nfs/dbraw/zinc/77/83/22/571778322.db2.gz HSABKCJNWNWCOJ-RPBOFIJWSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410173 571778374 /nfs/dbraw/zinc/77/83/74/571778374.db2.gz HSABKCJNWNWCOJ-LOSJGSFVSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410214 571778715 /nfs/dbraw/zinc/77/87/15/571778715.db2.gz HSABKCJNWNWCOJ-DQEYMECFSA-N -1 0 548.646 4.897 40 0 KJABRM COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000225430346 571797868 /nfs/dbraw/zinc/79/78/68/571797868.db2.gz CFTRBCDOOROZDE-UHFFFAOYSA-N -1 0 520.607 4.639 40 0 KJABRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)s1)c1ccc(Cl)cc1Cl ZINC000225430783 571798328 /nfs/dbraw/zinc/79/83/28/571798328.db2.gz RQWRRDLHNYPLRS-UHFFFAOYSA-N -1 0 554.481 4.961 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225437968 571806514 /nfs/dbraw/zinc/80/65/14/571806514.db2.gz KGTIWPAQTMILTI-DQEYMECFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225438002 571807237 /nfs/dbraw/zinc/80/72/37/571807237.db2.gz KGTIWPAQTMILTI-RPBOFIJWSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225438038 571807129 /nfs/dbraw/zinc/80/71/29/571807129.db2.gz KGTIWPAQTMILTI-LOSJGSFVSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225438074 571807269 /nfs/dbraw/zinc/80/72/69/571807269.db2.gz KGTIWPAQTMILTI-JWQCQUIFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225438125 571807296 /nfs/dbraw/zinc/80/72/96/571807296.db2.gz LQIKHUNMYJWFPG-DQEYMECFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225438160 571807183 /nfs/dbraw/zinc/80/71/83/571807183.db2.gz LQIKHUNMYJWFPG-RPBOFIJWSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225438198 571807054 /nfs/dbraw/zinc/80/70/54/571807054.db2.gz LQIKHUNMYJWFPG-LOSJGSFVSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225438236 571807163 /nfs/dbraw/zinc/80/71/63/571807163.db2.gz LQIKHUNMYJWFPG-JWQCQUIFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225438290 571807223 /nfs/dbraw/zinc/80/72/23/571807223.db2.gz OASFABLBZIWIKT-DQEYMECFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225438333 571807293 /nfs/dbraw/zinc/80/72/93/571807293.db2.gz OASFABLBZIWIKT-RPBOFIJWSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225438373 571807276 /nfs/dbraw/zinc/80/72/76/571807276.db2.gz OASFABLBZIWIKT-LOSJGSFVSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225438412 571807272 /nfs/dbraw/zinc/80/72/72/571807272.db2.gz OASFABLBZIWIKT-JWQCQUIFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1NS(C)(=O)=O ZINC000225439862 571809690 /nfs/dbraw/zinc/80/96/90/571809690.db2.gz VMDGGUFUFWZXLW-UIOOFZCWSA-N -1 0 578.672 4.905 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1NS(C)(=O)=O ZINC000225439895 571809646 /nfs/dbraw/zinc/80/96/46/571809646.db2.gz VMDGGUFUFWZXLW-FTJBHMTQSA-N -1 0 578.672 4.905 40 0 KJABRM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1NS(C)(=O)=O ZINC000225439933 571809753 /nfs/dbraw/zinc/80/97/53/571809753.db2.gz VMDGGUFUFWZXLW-IZZNHLLZSA-N -1 0 578.672 4.905 40 0 KJABRM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1NS(C)(=O)=O ZINC000225439970 571809541 /nfs/dbraw/zinc/80/95/41/571809541.db2.gz VMDGGUFUFWZXLW-CLJLJLNGSA-N -1 0 578.672 4.905 40 0 KJABRM Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225464630 571835788 /nfs/dbraw/zinc/83/57/88/571835788.db2.gz HHTBNATWAFKJSH-DQEYMECFSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225464661 571835778 /nfs/dbraw/zinc/83/57/78/571835778.db2.gz HHTBNATWAFKJSH-RPBOFIJWSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225464697 571835758 /nfs/dbraw/zinc/83/57/58/571835758.db2.gz HHTBNATWAFKJSH-LOSJGSFVSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225464727 571836231 /nfs/dbraw/zinc/83/62/31/571836231.db2.gz HHTBNATWAFKJSH-JWQCQUIFSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225464772 571836326 /nfs/dbraw/zinc/83/63/26/571836326.db2.gz QTPWDEPEUWESOG-DQEYMECFSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225464808 571836287 /nfs/dbraw/zinc/83/62/87/571836287.db2.gz QTPWDEPEUWESOG-RPBOFIJWSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225464847 571836285 /nfs/dbraw/zinc/83/62/85/571836285.db2.gz QTPWDEPEUWESOG-LOSJGSFVSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225464884 571836269 /nfs/dbraw/zinc/83/62/69/571836269.db2.gz QTPWDEPEUWESOG-JWQCQUIFSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225464929 571836316 /nfs/dbraw/zinc/83/63/16/571836316.db2.gz JACYXUJBQNGFHW-DQEYMECFSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225464962 571836304 /nfs/dbraw/zinc/83/63/04/571836304.db2.gz JACYXUJBQNGFHW-RPBOFIJWSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225464999 571836180 /nfs/dbraw/zinc/83/61/80/571836180.db2.gz JACYXUJBQNGFHW-LOSJGSFVSA-N -1 0 548.646 4.897 40 0 KJABRM Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225465034 571836274 /nfs/dbraw/zinc/83/62/74/571836274.db2.gz JACYXUJBQNGFHW-JWQCQUIFSA-N -1 0 548.646 4.897 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490820 571860907 /nfs/dbraw/zinc/86/09/07/571860907.db2.gz WPVJSWFQLQLQRQ-DQEYMECFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490857 571860848 /nfs/dbraw/zinc/86/08/48/571860848.db2.gz WPVJSWFQLQLQRQ-RPBOFIJWSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490883 571860834 /nfs/dbraw/zinc/86/08/34/571860834.db2.gz WPVJSWFQLQLQRQ-LOSJGSFVSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490917 571860854 /nfs/dbraw/zinc/86/08/54/571860854.db2.gz WPVJSWFQLQLQRQ-JWQCQUIFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225490961 571861017 /nfs/dbraw/zinc/86/10/17/571861017.db2.gz LCNMGOXSCZCURE-DQEYMECFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225490987 571861051 /nfs/dbraw/zinc/86/10/51/571861051.db2.gz LCNMGOXSCZCURE-RPBOFIJWSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225491021 571860964 /nfs/dbraw/zinc/86/09/64/571860964.db2.gz LCNMGOXSCZCURE-LOSJGSFVSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225491058 571860997 /nfs/dbraw/zinc/86/09/97/571860997.db2.gz LCNMGOXSCZCURE-JWQCQUIFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225491104 571860968 /nfs/dbraw/zinc/86/09/68/571860968.db2.gz XKKHNAZSVCDLFI-DQEYMECFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225491133 571861515 /nfs/dbraw/zinc/86/15/15/571861515.db2.gz XKKHNAZSVCDLFI-RPBOFIJWSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225491170 571861524 /nfs/dbraw/zinc/86/15/24/571861524.db2.gz XKKHNAZSVCDLFI-LOSJGSFVSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225491208 571861649 /nfs/dbraw/zinc/86/16/49/571861649.db2.gz XKKHNAZSVCDLFI-JWQCQUIFSA-N -1 0 564.645 4.597 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1NS(C)(=O)=O ZINC000225492469 571862339 /nfs/dbraw/zinc/86/23/39/571862339.db2.gz DNGFEHSUAQFKCS-UIOOFZCWSA-N -1 0 578.672 4.905 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1NS(C)(=O)=O ZINC000225492503 571862556 /nfs/dbraw/zinc/86/25/56/571862556.db2.gz DNGFEHSUAQFKCS-FTJBHMTQSA-N -1 0 578.672 4.905 40 0 KJABRM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1NS(C)(=O)=O ZINC000225492535 571862580 /nfs/dbraw/zinc/86/25/80/571862580.db2.gz DNGFEHSUAQFKCS-IZZNHLLZSA-N -1 0 578.672 4.905 40 0 KJABRM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1NS(C)(=O)=O ZINC000225492565 571862574 /nfs/dbraw/zinc/86/25/74/571862574.db2.gz DNGFEHSUAQFKCS-CLJLJLNGSA-N -1 0 578.672 4.905 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225516552 571886880 /nfs/dbraw/zinc/88/68/80/571886880.db2.gz PYJWLHOAHCWZSD-CLJLJLNGSA-N -1 0 512.591 4.959 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225516586 571886829 /nfs/dbraw/zinc/88/68/29/571886829.db2.gz PYJWLHOAHCWZSD-FTJBHMTQSA-N -1 0 512.591 4.959 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225516620 571886825 /nfs/dbraw/zinc/88/68/25/571886825.db2.gz PYJWLHOAHCWZSD-IZZNHLLZSA-N -1 0 512.591 4.959 40 0 KJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225516661 571886812 /nfs/dbraw/zinc/88/68/12/571886812.db2.gz PYJWLHOAHCWZSD-UIOOFZCWSA-N -1 0 512.591 4.959 40 0 KJABRM O=C(Nc1nnc(S(=O)(=O)[N-]CCCc2ccccc2Cl)s1)c1ccc(Cl)cc1Cl ZINC000225534021 571899988 /nfs/dbraw/zinc/89/99/88/571899988.db2.gz YDQPUHMYVLKZGJ-UHFFFAOYSA-N -1 0 505.836 4.662 40 0 KJABRM O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 ZINC000225534365 571899909 /nfs/dbraw/zinc/89/99/09/571899909.db2.gz PLMRWHIRCWOJQD-CLJLJLNGSA-N -1 0 511.607 4.572 40 0 KJABRM O=C([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 ZINC000225534396 571899928 /nfs/dbraw/zinc/89/99/28/571899928.db2.gz PLMRWHIRCWOJQD-FTJBHMTQSA-N -1 0 511.607 4.572 40 0 KJABRM O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 ZINC000225534414 571899898 /nfs/dbraw/zinc/89/98/98/571899898.db2.gz PLMRWHIRCWOJQD-IZZNHLLZSA-N -1 0 511.607 4.572 40 0 KJABRM O=C([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 ZINC000225534448 193968458 /nfs/dbraw/zinc/96/84/58/193968458.db2.gz PLMRWHIRCWOJQD-UIOOFZCWSA-N -1 0 511.607 4.572 40 0 KJABRM O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225534480 571900082 /nfs/dbraw/zinc/90/00/82/571900082.db2.gz KOLMWLGVKNYNNC-CLJLJLNGSA-N -1 0 511.607 4.572 40 0 KJABRM O=C([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225534504 571899966 /nfs/dbraw/zinc/89/99/66/571899966.db2.gz KOLMWLGVKNYNNC-FTJBHMTQSA-N -1 0 511.607 4.572 40 0 KJABRM O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225534528 571900515 /nfs/dbraw/zinc/90/05/15/571900515.db2.gz KOLMWLGVKNYNNC-IZZNHLLZSA-N -1 0 511.607 4.572 40 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CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)C2)cc1 ZINC000227148125 572150987 /nfs/dbraw/zinc/15/09/87/572150987.db2.gz ATRSQMHWQLJTNE-JOCHJYFZSA-N -1 0 674.249 4.540 40 0 KJABRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=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 ZINC000239309346 572193578 /nfs/dbraw/zinc/19/35/78/572193578.db2.gz HJYYPODYNSCCOU-NPDAZURFSA-N -1 0 697.778 4.754 40 0 KJABRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=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 ZINC000239309347 572193586 /nfs/dbraw/zinc/19/35/86/572193586.db2.gz HJYYPODYNSCCOU-WJMLRTSXSA-N -1 0 697.778 4.754 40 0 KJABRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=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 ZINC000239309348 572193553 /nfs/dbraw/zinc/19/35/53/572193553.db2.gz HJYYPODYNSCCOU-AKROKJSCSA-N -1 0 697.778 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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 572282744 /nfs/dbraw/zinc/28/27/44/572282744.db2.gz RWHJQRLURFQVQQ-SGXKBVARSA-N -1 0 644.791 4.648 40 0 KJABRM C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])[C@H](O)C(C)(C)[C@H]1CC3 ZINC000253529982 574421462 /nfs/dbraw/zinc/42/14/62/574421462.db2.gz SWRXIGFQDQTNKP-BKXAZQSRSA-N -1 0 636.867 4.753 40 0 endogenous,in-man KJABRM C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])[C@@H](O)C(C)(C)[C@H]1CC3 ZINC000253529983 574421464 /nfs/dbraw/zinc/42/14/64/574421464.db2.gz SWRXIGFQDQTNKP-GJBDTQCLSA-N -1 0 636.867 4.753 40 0 endogenous,in-man KJABRM C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000253529984 572298114 /nfs/dbraw/zinc/29/81/14/572298114.db2.gz 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/nfs/dbraw/zinc/30/41/82/572304182.db2.gz RGNHPDLKVCRLRF-QUTXGWPPSA-N -1 0 622.657 4.959 40 0 KJABRM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c2=4)[C@H]3c2ccc(OC)cc2)cc1 ZINC000255961431 572304174 /nfs/dbraw/zinc/30/41/74/572304174.db2.gz XYCYZVLQYDBKSS-JYJPAXDASA-N -1 0 604.667 4.820 40 0 KJABRM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c2=4)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000255961432 572304140 /nfs/dbraw/zinc/30/41/40/572304140.db2.gz XYCYZVLQYDBKSS-XBOKPKGASA-N -1 0 604.667 4.820 40 0 KJABRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000255989683 572304724 /nfs/dbraw/zinc/30/47/24/572304724.db2.gz NGNZQSPFQJCBJQ-KWKSCYRGSA-N -1 0 785.983 4.724 40 0 KJABRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000255989684 572304665 /nfs/dbraw/zinc/30/46/65/572304665.db2.gz 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in-man KJABRM CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Br)c([O-])c(Br)c1 ZINC000261362422 572104274 /nfs/dbraw/zinc/10/42/74/572104274.db2.gz KATDCFVJSLEHKC-KRWDZBQOSA-O -1 0 525.246 4.842 40 0 KJABRM CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Br)c([O-])c(Br)c1 ZINC000261362423 572104229 /nfs/dbraw/zinc/10/42/29/572104229.db2.gz KATDCFVJSLEHKC-QGZVFWFLSA-O -1 0 525.246 4.842 40 0 KJABRM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@@H]2c1cc(Br)ccc1OCC(=O)[O-] ZINC000261362934 572104679 /nfs/dbraw/zinc/10/46/79/572104679.db2.gz FLEDIUPNPBWZNP-FQEVSTJZSA-O -1 0 597.309 4.990 40 0 KJABRM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1cc(Br)ccc1OCC(=O)[O-] ZINC000261362940 572104620 /nfs/dbraw/zinc/10/46/20/572104620.db2.gz FLEDIUPNPBWZNP-HXUWFJFHSA-O -1 0 597.309 4.990 40 0 KJABRM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4Cl)n[n+]32)ccc1OCC(=O)[O-] ZINC000261363355 572105136 /nfs/dbraw/zinc/10/51/36/572105136.db2.gz GYFIHYHKJHNTCJ-DEOSSOPVSA-O -1 0 538.005 4.527 40 0 KJABRM 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CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261363891 572105855 /nfs/dbraw/zinc/10/58/55/572105855.db2.gz YHMHMGJBSYEIFL-HNNXBMFYSA-O -1 0 576.088 4.824 40 0 KJABRM CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261363892 572105930 /nfs/dbraw/zinc/10/59/30/572105930.db2.gz YHMHMGJBSYEIFL-OAHLLOKOSA-O -1 0 576.088 4.824 40 0 KJABRM COc1cccc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccc(Cl)cc4)n[n+]32)c1OCC(=O)[O-] ZINC000261364737 572106872 /nfs/dbraw/zinc/10/68/72/572106872.db2.gz NJQXBJNNMZYJDY-DEOSSOPVSA-O -1 0 538.005 4.527 40 0 KJABRM COc1cccc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccc(Cl)cc4)n[n+]32)c1OCC(=O)[O-] ZINC000261364738 572107052 /nfs/dbraw/zinc/10/70/52/572107052.db2.gz NJQXBJNNMZYJDY-XMMPIXPASA-O -1 0 538.005 4.527 40 0 KJABRM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1OCC(=O)[O-] ZINC000261365148 572107236 /nfs/dbraw/zinc/10/72/36/572107236.db2.gz QJKDUHSZHMELAM-DEOSSOPVSA-O -1 0 538.005 4.527 40 0 KJABRM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1OCC(=O)[O-] ZINC000261365149 572107176 /nfs/dbraw/zinc/10/71/76/572107176.db2.gz QJKDUHSZHMELAM-XMMPIXPASA-O -1 0 538.005 4.527 40 0 KJABRM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000261365655 572108033 /nfs/dbraw/zinc/10/80/33/572108033.db2.gz UKRILHPBRMHTEE-IBGZPJMESA-O -1 0 502.414 4.852 40 0 KJABRM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000261365656 572107749 /nfs/dbraw/zinc/10/77/49/572107749.db2.gz UKRILHPBRMHTEE-LJQANCHMSA-O -1 0 502.414 4.852 40 0 KJABRM Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@@H]3c2cc(Br)ccc2OCC(=O)[O-])cc1 ZINC000261365889 572108459 /nfs/dbraw/zinc/10/84/59/572108459.db2.gz WAUGVMMPZVMQJF-DEOSSOPVSA-O -1 0 566.457 4.936 40 0 KJABRM Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@H]3c2cc(Br)ccc2OCC(=O)[O-])cc1 ZINC000261365890 572108651 /nfs/dbraw/zinc/10/86/51/572108651.db2.gz WAUGVMMPZVMQJF-XMMPIXPASA-O -1 0 566.457 4.936 40 0 KJABRM CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261366309 572109178 /nfs/dbraw/zinc/10/91/78/572109178.db2.gz YTBDUECOZZKDDC-GOSISDBHSA-O -1 0 618.125 4.765 40 0 KJABRM CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(Br)cc(Br)c([O-])c1Br ZINC000261366310 572109227 /nfs/dbraw/zinc/10/92/27/572109227.db2.gz YTBDUECOZZKDDC-SFHVURJKSA-O -1 0 618.125 4.765 40 0 KJABRM O=C([O-])[C@@H](Cc1ccc(O)cc1I)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000299738097 572133628 /nfs/dbraw/zinc/13/36/28/572133628.db2.gz UAVWFAFIRLEPJJ-JOCHJYFZSA-N -1 0 529.330 4.531 40 0 KJABRM O=C([O-])[C@H](Cc1ccc(O)cc1I)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000299738098 572133364 /nfs/dbraw/zinc/13/33/64/572133364.db2.gz UAVWFAFIRLEPJJ-QFIPXVFZSA-N -1 0 529.330 4.531 40 0 KJABRM CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000299754572 572134211 /nfs/dbraw/zinc/13/42/11/572134211.db2.gz RRBJZTPVMBBJNT-AYCKEJKLSA-N -1 0 554.640 4.849 40 0 KJABRM CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000299754573 572134128 /nfs/dbraw/zinc/13/41/28/572134128.db2.gz RRBJZTPVMBBJNT-RIEVBORMSA-N -1 0 554.640 4.849 40 0 KJABRM COC1=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](OC(=O)/C=C\C(=O)[O-])[C@H](C)[C@H](C(C)C)O2)OC1=O ZINC000299888767 572142186 /nfs/dbraw/zinc/14/21/86/572142186.db2.gz WUDBXVQNMOTFEE-CPAZKGITSA-N -1 0 720.897 4.884 40 0 KJABRM COC1=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](OC(=O)/C=C/C(=O)[O-])[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299888768 572142095 /nfs/dbraw/zinc/14/20/95/572142095.db2.gz WUDBXVQNMOTFEE-MGNMVGQZSA-N -1 0 720.897 4.884 40 0 KJABRM COC1=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@H](OC(=O)/C=C\C(=O)[O-])[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000299888769 572142176 /nfs/dbraw/zinc/14/21/76/572142176.db2.gz 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Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1Cl ZINC000408622978 572282404 /nfs/dbraw/zinc/28/24/04/572282404.db2.gz CBNKITPRSJWSKH-LJQANCHMSA-N -1 0 528.030 4.610 40 0 KJABRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)cc1C ZINC000408623038 572282470 /nfs/dbraw/zinc/28/24/70/572282470.db2.gz CMNPGRHJXJOJPD-UHFFFAOYSA-N -1 0 528.634 4.990 40 0 KJABRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408626781 572284156 /nfs/dbraw/zinc/28/41/56/572284156.db2.gz WYSDMLZPDNIXSD-UHFFFAOYSA-N -1 0 518.975 4.505 40 0 KJABRM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000408627260 572284266 /nfs/dbraw/zinc/28/42/66/572284266.db2.gz YXJYCGNEFLHWCW-UHFFFAOYSA-N -1 0 533.002 4.814 40 0 KJABRM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000408627677 572284574 /nfs/dbraw/zinc/28/45/74/572284574.db2.gz OPKBIYOTZOILQJ-UHFFFAOYSA-N -1 0 533.002 4.814 40 0 KJABRM COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000408628291 572284803 /nfs/dbraw/zinc/28/48/03/572284803.db2.gz WBIOXROAQDWFPG-UHFFFAOYSA-N -1 0 530.046 4.776 40 0 KJABRM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000408629384 572284763 /nfs/dbraw/zinc/28/47/63/572284763.db2.gz ADQGOPXXXUULNE-UHFFFAOYSA-N -1 0 518.975 4.505 40 0 KJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2Cl)c1 ZINC000408629518 572285114 /nfs/dbraw/zinc/28/51/14/572285114.db2.gz CPWRRCXVGRJWMH-FQEVSTJZSA-N -1 0 542.057 4.919 40 0 KJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2Cl)c1 ZINC000408629519 572285080 /nfs/dbraw/zinc/28/50/80/572285080.db2.gz CPWRRCXVGRJWMH-HXUWFJFHSA-N -1 0 542.057 4.919 40 0 KJABRM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000408630132 572285774 /nfs/dbraw/zinc/28/57/74/572285774.db2.gz OCYHHTVSWGUXNI-UHFFFAOYSA-N -1 0 509.411 4.784 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)[O-])n[nH]1 ZINC000408630502 572286157 /nfs/dbraw/zinc/28/61/57/572286157.db2.gz AQKVLAZACHWPDF-YBEGLDIGSA-N -1 0 541.811 4.544 40 0 KJABRM CCc1nnc(S/C(=C\c2cc(I)c(OC(C)C)c(I)c2)C(=O)[O-])o1 ZINC000408630529 572286302 /nfs/dbraw/zinc/28/63/02/572286302.db2.gz BCXPUNDAKZQDBA-GHXNOFRVSA-N -1 0 586.189 4.846 40 0 KJABRM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000408630615 572286355 /nfs/dbraw/zinc/28/63/55/572286355.db2.gz VUKOCWZXLSGELN-UHFFFAOYSA-N -1 0 533.002 4.814 40 0 KJABRM CCn1c(S/C(=C\c2cc(Br)ccc2O)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408630680 572286471 /nfs/dbraw/zinc/28/64/71/572286471.db2.gz ACBRJHKYYCRMSP-ZDLGFXPLSA-N -1 0 506.378 4.668 40 0 KJABRM CCOc1cc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc(Br)c1OC ZINC000408630719 572286401 /nfs/dbraw/zinc/28/64/01/572286401.db2.gz ANKONHAHYSAQRN-LSCVHKIXSA-N -1 0 536.404 4.877 40 0 KJABRM CCOC(=O)Cn1cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])c2ccccc21 ZINC000408630744 572286644 /nfs/dbraw/zinc/28/66/44/572286644.db2.gz CIYFEPNGGRKMLP-JMIUGGIZSA-N -1 0 512.975 4.869 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Br)c(O)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408630750 572286623 /nfs/dbraw/zinc/28/66/23/572286623.db2.gz CKTPMAGOJTXANK-CHHVJCJISA-N -1 0 512.769 4.828 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(I)c(OC)c(I)c3)C(=O)[O-])n[nH]2)c1 ZINC000408630788 572286564 /nfs/dbraw/zinc/28/65/64/572286564.db2.gz BDOCPQYMBAPABU-SOFYXZRVSA-N -1 0 665.247 4.925 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cccc(I)c2)C(=O)[O-])n[nH]1 ZINC000408630840 572286722 /nfs/dbraw/zinc/28/67/22/572286722.db2.gz DCHSLAPMVITGKD-NVNXTCNLSA-N -1 0 513.744 4.956 40 0 KJABRM CCn1c(S/C(=C\c2ccc(I)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631047 572286972 /nfs/dbraw/zinc/28/69/72/572286972.db2.gz BSDBGRDKQYXDSQ-NVMNQCDNSA-N -1 0 537.379 4.805 40 0 KJABRM COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000408631058 572286944 /nfs/dbraw/zinc/28/69/44/572286944.db2.gz ZLSKQTYHRGMFGL-UHFFFAOYSA-N -1 0 530.046 4.776 40 0 KJABRM CCn1c(S/C(=C\c2cc(I)c(O)c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631119 572287167 /nfs/dbraw/zinc/28/71/67/572287167.db2.gz CDTNVEJOGUTCNS-LSCVHKIXSA-N -1 0 583.404 4.519 40 0 KJABRM CCOC(=O)COc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1OCC ZINC000408631120 572287092 /nfs/dbraw/zinc/28/70/92/572287092.db2.gz FCMUTPBSVLCJCT-JAIQZWGSSA-N -1 0 533.990 4.692 40 0 KJABRM CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc(I)c1O ZINC000408631158 572287136 /nfs/dbraw/zinc/28/71/36/572287136.db2.gz CKRLSBOOQRQFRE-OCKHKDLRSA-N -1 0 597.431 4.909 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(I)c(O)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408631168 572287160 /nfs/dbraw/zinc/28/71/60/572287160.db2.gz FPHQKDPMBYZGAL-CHHVJCJISA-N -1 0 559.769 4.670 40 0 KJABRM CCc1nc(SC(=Cc2cc(I)c(OC(C)C)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408631213 572287158 /nfs/dbraw/zinc/28/71/58/572287158.db2.gz GFWLGPUJBNARIU-GHXNOFRVSA-N -1 0 585.205 4.581 40 0 KJABRM CCOC(=O)COc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OC ZINC000408631273 572287310 /nfs/dbraw/zinc/28/73/10/572287310.db2.gz CWJVQZGNIFJRPW-GRSHGNNSSA-N -1 0 520.947 4.567 40 0 KJABRM CCOc1ccc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1Br ZINC000408631277 572287291 /nfs/dbraw/zinc/28/72/91/572287291.db2.gz CYMKCUURBIMCPW-LSCVHKIXSA-N -1 0 506.378 4.868 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OC)c(I)c3)C(=O)[O-])o2)c1 ZINC000408631278 572287309 /nfs/dbraw/zinc/28/73/09/572287309.db2.gz CYXGTAHXTLCKAB-IDUWFGFVSA-N -1 0 540.335 4.585 40 0 KJABRM CCn1c(S/C(=C\c2cc(Br)ccc2OC)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631334 572287433 /nfs/dbraw/zinc/28/74/33/572287433.db2.gz DJHXLNDTXOGQKI-ODLFYWEKSA-N -1 0 520.405 4.971 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc(I)c3)C(=O)[O-])o2)c1 ZINC000408631464 572287586 /nfs/dbraw/zinc/28/75/86/572287586.db2.gz DZPLOIZQMFSSET-APSNUPSMSA-N -1 0 510.309 4.576 40 0 KJABRM COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc(I)c1OCc1ccccc1F ZINC000408631488 572287546 /nfs/dbraw/zinc/28/75/46/572287546.db2.gz JOMFACBBJPQIIJ-MFOYZWKCSA-N -1 0 542.326 4.927 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc3c(cc2Br)OCO3)C(=O)[O-])n[nH]1 ZINC000408631519 572287536 /nfs/dbraw/zinc/28/75/36/572287536.db2.gz JYNBXVCUCGSSNO-BNCCVWRVSA-N -1 0 510.753 4.843 40 0 KJABRM COc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1I ZINC000408631583 572287777 /nfs/dbraw/zinc/28/77/77/572287777.db2.gz KMEZTMLGNOXIJQ-PXNMLYILSA-N -1 0 543.770 4.965 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)c(OC)cc3OC)C(=O)[O-])o2)c1 ZINC000408631584 572287685 /nfs/dbraw/zinc/28/76/85/572287685.db2.gz FTHUREOOUYNXLA-LSCVHKIXSA-N -1 0 523.361 4.751 40 0 KJABRM CCCc1nc(SC(=Cc2cc(I)c(OC(C)C)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408631599 572287752 /nfs/dbraw/zinc/28/77/52/572287752.db2.gz KQJKBEDLAXGWKQ-JYRVWZFOSA-N -1 0 599.232 4.971 40 0 KJABRM CCCc1nc(SC(=Cc2cc(I)c(OCC)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408631617 572287714 /nfs/dbraw/zinc/28/77/14/572287714.db2.gz KTIJNFXJJNHKMP-WQLSENKSSA-N -1 0 585.205 4.583 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)c(OC)c(OC)c3)C(=O)[O-])o2)c1 ZINC000408631796 572287994 /nfs/dbraw/zinc/28/79/94/572287994.db2.gz GKYXQSGKZNXYKL-IDUWFGFVSA-N -1 0 523.361 4.751 40 0 KJABRM CCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408631856 572288189 /nfs/dbraw/zinc/28/81/89/572288189.db2.gz MIIGIBJCBJLZEC-BOPFTXTBSA-N -1 0 537.379 4.777 40 0 KJABRM O=C([O-])/C(=C/c1cc(Br)cc(I)c1O)Sc1nc2ccccc2[nH]1 ZINC000408631965 572288332 /nfs/dbraw/zinc/28/83/32/572288332.db2.gz BTSSOLPSIXKMJQ-MLPAPPSSSA-N -1 0 517.142 4.853 40 0 KJABRM Cc1nnc(S/C(=C\c2cc(I)c(OC(C)C)c(I)c2)C(=O)[O-])o1 ZINC000408632091 572288317 /nfs/dbraw/zinc/28/83/17/572288317.db2.gz SGQHIJQFXBQPDT-SDQBBNPISA-N -1 0 572.162 4.592 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)c(Br)o3)C(=O)[O-])n[nH]2)c1 ZINC000408632117 572288312 /nfs/dbraw/zinc/28/83/12/572288312.db2.gz HKZRHTIHMKGQNI-QPEQYQDCSA-N -1 0 531.182 4.825 40 0 KJABRM CCOC(=O)COc1c(I)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1OC ZINC000408632166 572288452 /nfs/dbraw/zinc/28/84/52/572288452.db2.gz HSKSUMSXDNKYGU-UWVJOHFNSA-N -1 0 642.424 4.527 40 0 KJABRM CCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408632183 572288476 /nfs/dbraw/zinc/28/84/76/572288476.db2.gz OLJOADLFBPJPRM-YVLHZVERSA-N -1 0 555.369 4.916 40 0 KJABRM COC(=O)c1cccc(-c2ccc(C=C(Sc3n[nH]c(-c4cc(OC)cc(OC)c4)n3)C(=O)[O-])o2)c1 ZINC000408632413 572288673 /nfs/dbraw/zinc/28/86/73/572288673.db2.gz IQMUXMRTDAZHGK-BKUYFWCQSA-N -1 0 507.524 4.753 40 0 KJABRM CCn1c(S/C(=C\c2cc(Br)cc(OC)c2O)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632418 572288728 /nfs/dbraw/zinc/28/87/28/572288728.db2.gz IRIXEHXRLWNHHR-NVMNQCDNSA-N -1 0 536.404 4.677 40 0 KJABRM CCn1c(S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632426 572288697 /nfs/dbraw/zinc/28/86/97/572288697.db2.gz ITYBELSEQVNNAD-UWVJOHFNSA-N -1 0 534.388 4.691 40 0 KJABRM CCn1c(S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632457 572288817 /nfs/dbraw/zinc/28/88/17/572288817.db2.gz JAHRAAHTJYNQRJ-LSCVHKIXSA-N -1 0 536.404 4.677 40 0 KJABRM COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc(I)c1OCc1ccccc1 ZINC000408632464 572288897 /nfs/dbraw/zinc/28/88/97/572288897.db2.gz QHMFNTHEOGNMFC-YVLHZVERSA-N -1 0 524.336 4.788 40 0 KJABRM CCOC(=O)Cn1c(C)c(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])c2ccccc21 ZINC000408632478 572288910 /nfs/dbraw/zinc/28/89/10/572288910.db2.gz JDGQYDYUXXAHMN-XKZIYDEJSA-N -1 0 522.583 4.533 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(I)o2)C(=O)[O-])n[nH]1 ZINC000408632556 572288974 /nfs/dbraw/zinc/28/89/74/572288974.db2.gz RHIWXPZLMFYCTF-GHXNOFRVSA-N -1 0 503.705 4.549 40 0 KJABRM CCn1c(S/C(=C\c2ccc(O)c(Br)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408632564 572289037 /nfs/dbraw/zinc/28/90/37/572289037.db2.gz JQRXSLPJVJSKIY-LSCVHKIXSA-N -1 0 506.378 4.668 40 0 KJABRM CCOC(=O)COc1c(I)cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1OC ZINC000408632601 572288964 /nfs/dbraw/zinc/28/89/64/572288964.db2.gz RTGFVAFKVSQYHB-NVMNQCDNSA-N -1 0 645.859 4.907 40 0 KJABRM COc1c(I)cc(I)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000408632647 572289164 /nfs/dbraw/zinc/28/91/64/572289164.db2.gz GHMBNFZURBTRQI-AUWJEWJLSA-N -1 0 578.169 4.999 40 0 KJABRM O=C([O-])/C(=C/c1cc(I)cc(I)c1O)Sc1nc2ccccc2[nH]1 ZINC000408632654 572289182 /nfs/dbraw/zinc/28/91/82/572289182.db2.gz GLBWAVKQKCLFTH-MLPAPPSSSA-N -1 0 564.142 4.696 40 0 KJABRM O=C([O-])/C(=C/c1cc(Br)c(N2CCOCC2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000408632663 572289135 /nfs/dbraw/zinc/28/91/35/572289135.db2.gz GPCFYBJHQSSENK-GDNBJRDFSA-N -1 0 512.769 4.800 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(I)c(OC)c(OC)c3)C(=O)[O-])o2)c1 ZINC000408632718 572289166 /nfs/dbraw/zinc/28/91/66/572289166.db2.gz JVCFNTVOKZLQGH-IDUWFGFVSA-N -1 0 570.361 4.593 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(I)c(OC)c(OC)c2)C(=O)[O-])n[nH]1 ZINC000408632786 572289304 /nfs/dbraw/zinc/28/93/04/572289304.db2.gz SOCKEQRWJFXYAO-PXNMLYILSA-N -1 0 573.796 4.973 40 0 KJABRM CCOC(=O)COc1ccc2ccccc2c1C=C(Sc1n[nH]c(-c2cc(OC)cc(OC)c2)n1)C(=O)[O-] ZINC000408632866 572289454 /nfs/dbraw/zinc/28/94/54/572289454.db2.gz KTWKTFQCVMICHL-UCQKPKSFSA-N -1 0 535.578 4.802 40 0 KJABRM CCOC(=O)COc1c(I)cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1OC ZINC000408632999 572289586 /nfs/dbraw/zinc/28/95/86/572289586.db2.gz ISLHCNYSMUZWLL-YVLHZVERSA-N -1 0 615.833 4.898 40 0 KJABRM COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(I)c1OC ZINC000408633009 572289533 /nfs/dbraw/zinc/28/95/33/572289533.db2.gz IWCZSGXHLGOWIU-DHDCSXOGSA-N -1 0 543.770 4.965 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Cl)cc(I)c3O)C(=O)[O-])o2)c1 ZINC000408633061 572289739 /nfs/dbraw/zinc/28/97/39/572289739.db2.gz LGOSIPZGZZAFAO-UUASQNMZSA-N -1 0 560.753 4.935 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(I)cc2)C(=O)[O-])n[nH]1 ZINC000408633075 572289711 /nfs/dbraw/zinc/28/97/11/572289711.db2.gz VRWDSUYJFKCBAW-NVNXTCNLSA-N -1 0 513.744 4.956 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(I)cc(I)c3O)C(=O)[O-])n[nH]2)c1 ZINC000408633170 572289816 /nfs/dbraw/zinc/28/98/16/572289816.db2.gz LYKCRWXRQNIFGY-UUASQNMZSA-N -1 0 651.220 4.622 40 0 KJABRM O=C([O-])/C(=C/c1cc(I)cc(I)c1O)Sc1nc2ccccc2o1 ZINC000408633273 572289943 /nfs/dbraw/zinc/28/99/43/572289943.db2.gz JPITXXYPZGURKT-MLPAPPSSSA-N -1 0 565.126 4.960 40 0 KJABRM CCn1c(S/C(=C\c2cc(Br)c(N(C)C)o2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633296 572289935 /nfs/dbraw/zinc/28/99/35/572289935.db2.gz MJCROADSODKUQV-BOPFTXTBSA-N -1 0 523.409 4.622 40 0 KJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Br)cc(OC)c2O)C(=O)[O-])n[nH]1 ZINC000408633533 572290169 /nfs/dbraw/zinc/29/01/69/572290169.db2.gz ZNLUMDPRXQWAIN-UUASQNMZSA-N -1 0 512.769 4.828 40 0 KJABRM CCn1c(S/C(=C\c2cccc(I)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633550 572290179 /nfs/dbraw/zinc/29/01/79/572290179.db2.gz NTEYAORTJOKODM-NVMNQCDNSA-N -1 0 537.379 4.805 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)c(I)o3)C(=O)[O-])o2)c1 ZINC000408633570 572290328 /nfs/dbraw/zinc/29/03/28/572290328.db2.gz NXKHQIDKBNWMEU-QPEQYQDCSA-N -1 0 579.166 4.932 40 0 KJABRM CCOC(=O)COc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1OCC ZINC000408633626 572290382 /nfs/dbraw/zinc/29/03/82/572290382.db2.gz OFZXZCBZUULCSF-FMCGGJTJSA-N -1 0 557.625 4.541 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Cl)cc(I)c3O)C(=O)[O-])n[nH]2)c1 ZINC000408633727 572290500 /nfs/dbraw/zinc/29/05/00/572290500.db2.gz OVARSXQVJXCLCO-UUASQNMZSA-N -1 0 559.769 4.670 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)c(I)o3)C(=O)[O-])n[nH]2)c1 ZINC000408633775 572290599 /nfs/dbraw/zinc/29/05/99/572290599.db2.gz PFOKXSXTWZUDTR-QPEQYQDCSA-N -1 0 578.182 4.667 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(I)cc3)C(=O)[O-])o2)c1 ZINC000408633799 572290567 /nfs/dbraw/zinc/29/05/67/572290567.db2.gz PODXOIUBTPEHNB-APSNUPSMSA-N -1 0 510.309 4.576 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)cc(I)c3O)C(=O)[O-])n[nH]2)c1 ZINC000408633820 572290722 /nfs/dbraw/zinc/29/07/22/572290722.db2.gz PSOFBAVYBUYNII-UUASQNMZSA-N -1 0 604.220 4.779 40 0 KJABRM CCOC(=O)COc1c(I)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1OC ZINC000408633867 572290706 /nfs/dbraw/zinc/29/07/06/572290706.db2.gz MPMFAOYFZXKULY-YVLHZVERSA-N -1 0 555.346 4.601 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(I)cc(I)c3OC)C(=O)[O-])n[nH]2)c1 ZINC000408633868 572290766 /nfs/dbraw/zinc/29/07/66/572290766.db2.gz QCKYOBJKVHWCHJ-APSNUPSMSA-N -1 0 665.247 4.925 40 0 KJABRM CCOC(=O)COc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1OCC ZINC000408633910 572290720 /nfs/dbraw/zinc/29/07/20/572290720.db2.gz NGHFMJMJYRQYBO-UNOMPAQXSA-N -1 0 503.964 4.684 40 0 KJABRM CCn1c(S/C(=C\c2cc(Br)c(OC)cc2OC)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633951 572290836 /nfs/dbraw/zinc/29/08/36/572290836.db2.gz QGZHZRVANRADBJ-JMIUGGIZSA-N -1 0 550.431 4.980 40 0 KJABRM CCn1c(S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634168 572291116 /nfs/dbraw/zinc/29/11/16/572291116.db2.gz RRCXCKOKTREKHA-OCKHKDLRSA-N -1 0 505.980 4.871 40 0 KJABRM CCn1c(S/C(=C\c2cc(I)c(OC)c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634187 572291078 /nfs/dbraw/zinc/29/10/78/572291078.db2.gz RUVLYAUHFNOINK-OCKHKDLRSA-N -1 0 597.431 4.822 40 0 KJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(I)cc(I)c3O)C(=O)[O-])o2)c1 ZINC000408634198 572291058 /nfs/dbraw/zinc/29/10/58/572291058.db2.gz RZGREQQKCQXGGQ-UUASQNMZSA-N -1 0 652.204 4.886 40 0 KJABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(I)o2)C(=O)[O-])o1 ZINC000408634285 572291253 /nfs/dbraw/zinc/29/12/53/572291253.db2.gz TXMPWOMYNBNNJG-GHXNOFRVSA-N -1 0 504.689 4.814 40 0 KJABRM CCOc1c(Br)cc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1OC ZINC000408634302 572291360 /nfs/dbraw/zinc/29/13/60/572291360.db2.gz UCCFYDQBROBQME-LSCVHKIXSA-N -1 0 536.404 4.877 40 0 KJABRM COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(I)c1O ZINC000408634378 572291347 /nfs/dbraw/zinc/29/13/47/572291347.db2.gz QKTZPCHIBVOQCH-ZSOIEALJSA-N -1 0 529.743 4.662 40 0 KJABRM CCn1c(S/C(=C\c2ccc(OC)c(Br)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634511 572291580 /nfs/dbraw/zinc/29/15/80/572291580.db2.gz VOXAKBLPJGGNKA-OCKHKDLRSA-N -1 0 520.405 4.971 40 0 KJABRM CCOC(=O)Cn1c(C)c(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])c2ccccc21 ZINC000408634532 572291583 /nfs/dbraw/zinc/29/15/83/572291583.db2.gz VXBHGHICCIBCQD-XKZIYDEJSA-N -1 0 523.567 4.798 40 0 KJABRM CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc(I)c1O ZINC000408634538 572291591 /nfs/dbraw/zinc/29/15/91/572291591.db2.gz VXRVJOINPITALP-IDUWFGFVSA-N -1 0 570.361 4.681 40 0 KJABRM COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(I)c1O ZINC000408634559 572291593 /nfs/dbraw/zinc/29/15/93/572291593.db2.gz RPWLGFMXPIHBGG-ZSOIEALJSA-N -1 0 530.727 4.927 40 0 KJABRM COc1c(I)cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1I ZINC000408634568 572291595 /nfs/dbraw/zinc/29/15/95/572291595.db2.gz RTNACMRZKFIOMV-ZSOIEALJSA-N -1 0 578.169 4.999 40 0 KJABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)c(N3CCOCC3)o2)C(=O)[O-])o1 ZINC000408634658 195481354 /nfs/dbraw/zinc/48/13/54/195481354.db2.gz WEPBOCWGKCKNHM-YBEGLDIGSA-N -1 0 542.795 4.809 40 0 KJABRM CCOC(=O)COc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OCC ZINC000408634733 572291848 /nfs/dbraw/zinc/29/18/48/572291848.db2.gz WZYSOTXQVPVYBC-JAIQZWGSSA-N -1 0 534.974 4.957 40 0 KJABRM CCOC(=O)COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1OCC ZINC000408634809 195481832 /nfs/dbraw/zinc/48/18/32/195481832.db2.gz UZFBWOGKIWRDDC-UNOMPAQXSA-N -1 0 504.948 4.948 40 0 KJABRM COc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1I ZINC000408634837 572291940 /nfs/dbraw/zinc/29/19/40/572291940.db2.gz VJBBLQZQLJQNRH-DHDCSXOGSA-N -1 0 513.744 4.956 40 0 KJABRM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)cc(Br)c3O)C(=O)[O-])n[nH]2)c1 ZINC000408634888 572291947 /nfs/dbraw/zinc/29/19/47/572291947.db2.gz XRKBDLTWGXMCMK-UUASQNMZSA-N -1 0 557.220 4.937 40 0 KJABRM CCn1c(S/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634902 195482454 /nfs/dbraw/zinc/48/24/54/195482454.db2.gz XTUVZISRLYOBFE-OCKHKDLRSA-N -1 0 550.431 4.980 40 0 KJABRM CCn1c(S/C(=C\c2ccc(OC)c(I)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634937 572292104 /nfs/dbraw/zinc/29/21/04/572292104.db2.gz YDXCZAJNGKFVHW-OCKHKDLRSA-N -1 0 567.405 4.813 40 0 KJABRM CCOC(=O)COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1OC ZINC000408635039 195483184 /nfs/dbraw/zinc/48/31/84/195483184.db2.gz XBSBHTOPTLYMPL-MOSHPQCFSA-N -1 0 517.991 4.787 40 0 KJABRM CCOC(=O)COc1c(I)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1OC ZINC000408635063 572292046 /nfs/dbraw/zinc/29/20/46/572292046.db2.gz YKXKUSFPZOLGGE-FBHDLOMBSA-N -1 0 669.494 4.755 40 0 KJABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(I)c(O)c(OC)c2)C(=O)[O-])o1 ZINC000408635072 572292197 /nfs/dbraw/zinc/29/21/97/572292197.db2.gz YNCBYARPZLOYJJ-CHHVJCJISA-N -1 0 560.753 4.935 40 0 KJABRM COC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(-c4cc(OC)cc(OC)c4)n3)C(=O)[O-])o2)cc1 ZINC000408635121 572292227 /nfs/dbraw/zinc/29/22/27/572292227.db2.gz YZZJNHUNJNDZIN-BKUYFWCQSA-N -1 0 507.524 4.753 40 0 KJABRM O=C([O-])C(=Cc1cc(Br)c(N2CCOCC2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000408635219 572292334 /nfs/dbraw/zinc/29/23/34/572292334.db2.gz YKLMQBXIXNJENM-GDNBJRDFSA-N -1 0 511.785 4.535 40 0 KJABRM CCOC(=O)Cn1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])c2ccccc21 ZINC000408635290 572292463 /nfs/dbraw/zinc/29/24/63/572292463.db2.gz ZXHNKSGFHKAVCB-QRVIBDJDSA-N -1 0 536.610 4.718 40 0 KJABRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000408635739 572292666 /nfs/dbraw/zinc/29/26/66/572292666.db2.gz IATCQFYRSYGOIO-UHFFFAOYSA-N -1 0 552.527 4.871 40 0 KJABRM 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/nfs/dbraw/zinc/55/40/90/1066554090.db2.gz SOOQZMVLPRLXAI-GOSISDBHSA-N -1 0 566.101 4.559 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712380 1066554587 /nfs/dbraw/zinc/55/45/87/1066554587.db2.gz SOOQZMVLPRLXAI-SFHVURJKSA-N -1 0 566.101 4.559 40 0 KJABRM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1Cl ZINC000408712548 1066553448 /nfs/dbraw/zinc/55/34/48/1066553448.db2.gz KLJPXYKUNRUMSR-UHFFFAOYSA-N -1 0 596.127 4.651 40 0 KJABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3C)cc2)c(OC)c1 ZINC000408712586 1066554176 /nfs/dbraw/zinc/55/41/76/1066554176.db2.gz XRLPEHMONJRJFA-UHFFFAOYSA-N -1 0 581.672 4.866 40 0 KJABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000408714749 1066551355 /nfs/dbraw/zinc/55/13/55/1066551355.db2.gz NBAJEMFGQGVQQC-UHFFFAOYSA-N -1 0 537.707 4.808 40 0 KJABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1C(=O)N1CCCCCC1 ZINC000408714813 1066549984 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ZINC000408824877 1066619510 /nfs/dbraw/zinc/61/95/10/1066619510.db2.gz AVFAYLJIBLPFNU-BIWBSIMWSA-N -1 0 589.069 4.729 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408824879 1066243175 /nfs/dbraw/zinc/24/31/75/1066243175.db2.gz AVFAYLJIBLPFNU-ZGOFBEGVSA-N -1 0 589.069 4.729 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408824938 1066619530 /nfs/dbraw/zinc/61/95/30/1066619530.db2.gz BPOXKPOODCRJCE-PKYOQBLNSA-N -1 0 630.744 4.806 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408824942 1066619518 /nfs/dbraw/zinc/61/95/18/1066619518.db2.gz BPOXKPOODCRJCE-USDTVRPUSA-N -1 0 630.744 4.806 40 0 KJABRM COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCC(=O)[O-])c(Cl)c4)c(=O)n32)c1 ZINC000408824959 1066619548 /nfs/dbraw/zinc/61/95/48/1066619548.db2.gz BUSJTKYORNBGRF-RLFCKUQXSA-N -1 0 624.502 4.653 40 0 KJABRM 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ZINC000408825811 1066629512 /nfs/dbraw/zinc/62/95/12/1066629512.db2.gz AJDALSAIYRRYRT-BAZHDFBLSA-N -1 0 768.504 4.579 40 0 KJABRM CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)sc2=N1 ZINC000408826123 1066629439 /nfs/dbraw/zinc/62/94/39/1066629439.db2.gz BZDFTJJUUYAUEE-OKMHPQNISA-N -1 0 656.713 4.593 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408826346 1066628957 /nfs/dbraw/zinc/62/89/57/1066628957.db2.gz JFPZYBNMGWDOON-FNUHDPNESA-N -1 0 591.911 4.707 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408826349 1066628979 /nfs/dbraw/zinc/62/89/79/1066628979.db2.gz JFPZYBNMGWDOON-PZDOZLBDSA-N -1 0 591.911 4.707 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408826352 1066241948 /nfs/dbraw/zinc/24/19/48/1066241948.db2.gz BWXQBOSUYGTBKK-BIWBSIMWSA-N -1 0 572.639 4.544 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408826357 1066629043 /nfs/dbraw/zinc/62/90/43/1066629043.db2.gz LIBNWFIZEZKXMO-MRWVFDTMSA-N -1 0 642.730 4.871 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408826358 1066241960 /nfs/dbraw/zinc/24/19/60/1066241960.db2.gz BWXQBOSUYGTBKK-ZGOFBEGVSA-N -1 0 572.639 4.544 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408826361 1066629532 /nfs/dbraw/zinc/62/95/32/1066629532.db2.gz LIBNWFIZEZKXMO-NBQDTTAVSA-N -1 0 642.730 4.871 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408826532 1066629006 /nfs/dbraw/zinc/62/90/06/1066629006.db2.gz HARCALZVTJKYRM-HTDPGAKESA-N -1 0 690.730 4.950 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408826541 1066629069 /nfs/dbraw/zinc/62/90/69/1066629069.db2.gz DSFGUSWPXOQAMC-FPWMYLJGSA-N -1 0 660.704 4.942 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408826543 1066628930 /nfs/dbraw/zinc/62/89/30/1066628930.db2.gz DSFGUSWPXOQAMC-VEOKEAFVSA-N -1 0 660.704 4.942 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408826551 1066629019 /nfs/dbraw/zinc/62/90/19/1066629019.db2.gz HARCALZVTJKYRM-PMYQURGISA-N -1 0 690.730 4.950 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408827412 1066644225 /nfs/dbraw/zinc/64/42/25/1066644225.db2.gz JIBIIEYSBHZBMZ-AIYGHVSQSA-N -1 0 730.964 4.666 40 0 KJABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408827420 1066644211 /nfs/dbraw/zinc/64/42/11/1066644211.db2.gz JIBIIEYSBHZBMZ-RPTCSZHISA-N -1 0 730.964 4.666 40 0 KJABRM CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)sc2=N1 ZINC000408827534 1066242532 /nfs/dbraw/zinc/24/25/32/1066242532.db2.gz KJAFHJNPFWCYIL-ASZNLBCTSA-N -1 0 586.666 4.854 40 0 KJABRM CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)sc2=N1 ZINC000408827535 1066644035 /nfs/dbraw/zinc/64/40/35/1066644035.db2.gz KJAFHJNPFWCYIL-YNMQQHPQSA-N -1 0 586.666 4.854 40 0 KJABRM CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408827567 1066242621 /nfs/dbraw/zinc/24/26/21/1066242621.db2.gz KQPZFTNVUVXXFQ-VLOXRPPESA-N -1 0 602.974 4.952 40 0 KJABRM CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408827569 1066242708 /nfs/dbraw/zinc/24/27/08/1066242708.db2.gz KQPZFTNVUVXXFQ-WLJFKGHSSA-N -1 0 602.974 4.952 40 0 KJABRM CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408827848 1066242476 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CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)sc2=N1 ZINC000408831661 1066639560 /nfs/dbraw/zinc/63/95/60/1066639560.db2.gz ORIVAPHSSPIFIZ-YNMQQHPQSA-N -1 0 586.666 4.854 40 0 KJABRM CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)sc2=N1 ZINC000408831717 1066244502 /nfs/dbraw/zinc/24/45/02/1066244502.db2.gz PBCXNYWHZXEMHR-UPWSPCOFSA-N -1 0 600.649 4.574 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408831722 1066639604 /nfs/dbraw/zinc/63/96/04/1066639604.db2.gz VDMJVHGTDNEENA-FUFNRSNVSA-N -1 0 619.095 4.738 40 0 KJABRM CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)sc2=N1 ZINC000408831723 1066639532 /nfs/dbraw/zinc/63/95/32/1066639532.db2.gz PBCXNYWHZXEMHR-ZJTZAHLKSA-N -1 0 600.649 4.574 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408831730 1066639105 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0 KJABRM CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c([O-])c(I)c4)c(=O)n32)cc1 ZINC000409032403 1066307715 /nfs/dbraw/zinc/30/77/15/1066307715.db2.gz JGRVSGBDQMARLC-FNUHDPNESA-N -1 0 730.362 4.500 40 0 KJABRM CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c([O-])c(I)c4)c(=O)n32)cc1 ZINC000409032407 1066792151 /nfs/dbraw/zinc/79/21/51/1066792151.db2.gz JGRVSGBDQMARLC-PZDOZLBDSA-N -1 0 730.362 4.500 40 0 KJABRM CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409032578 1066307904 /nfs/dbraw/zinc/30/79/04/1066307904.db2.gz JYTJEIOMCWFRBR-ZDLGFXPLSA-N -1 0 519.417 4.545 40 0 KJABRM CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc(C(=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000409032613 1066791847 /nfs/dbraw/zinc/79/18/47/1066791847.db2.gz CPGVZEFXPLBVKA-JLHDDXNDSA-N -1 0 612.704 4.863 40 0 KJABRM CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc(C(=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000409032615 1066307919 /nfs/dbraw/zinc/30/79/19/1066307919.db2.gz CPGVZEFXPLBVKA-PYCBVSLESA-N -1 0 612.704 4.863 40 0 KJABRM CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409034130 1066789245 /nfs/dbraw/zinc/78/92/45/1066789245.db2.gz NGVZYKYAQZWYBU-BIWBSIMWSA-N -1 0 710.546 4.689 40 0 KJABRM CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409034132 1066308458 /nfs/dbraw/zinc/30/84/58/1066308458.db2.gz NGVZYKYAQZWYBU-ZGOFBEGVSA-N -1 0 710.546 4.689 40 0 KJABRM CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409034144 1066789265 /nfs/dbraw/zinc/78/92/65/1066789265.db2.gz GVFYRRCAAFZFAK-BIWBSIMWSA-N -1 0 680.520 4.680 40 0 KJABRM CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409034145 1066789421 /nfs/dbraw/zinc/78/94/21/1066789421.db2.gz GVFYRRCAAFZFAK-ZGOFBEGVSA-N -1 0 680.520 4.680 40 0 KJABRM 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COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n32)cc1 ZINC000409079747 1066846660 /nfs/dbraw/zinc/84/66/60/1066846660.db2.gz LEOHMSGOHOHQPG-PQRKSKNISA-N -1 0 591.645 4.841 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409080008 1066846607 /nfs/dbraw/zinc/84/66/07/1066846607.db2.gz CVARUTIETMPBEF-KHVWPYCOSA-N -1 0 734.204 4.642 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409080011 1066846646 /nfs/dbraw/zinc/84/66/46/1066846646.db2.gz CVARUTIETMPBEF-KYSILRCISA-N -1 0 734.204 4.642 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409080014 1066846313 /nfs/dbraw/zinc/84/63/13/1066846313.db2.gz CVKGRWNGKIUSGP-KHVWPYCOSA-N -1 0 642.753 4.691 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409080015 1066846471 /nfs/dbraw/zinc/84/64/71/1066846471.db2.gz CVKGRWNGKIUSGP-KYSILRCISA-N -1 0 642.753 4.691 40 0 KJABRM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c([O-])c(I)c4)c(=O)n32)cc1 ZINC000409081221 1066319380 /nfs/dbraw/zinc/31/93/80/1066319380.db2.gz PEGQNNRAZGVJLH-MGSPXPDISA-N -1 0 702.368 4.955 40 0 KJABRM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c([O-])c(I)c4)c(=O)n32)cc1 ZINC000409081225 1066855408 /nfs/dbraw/zinc/85/54/08/1066855408.db2.gz PEGQNNRAZGVJLH-XPCGLTFESA-N -1 0 702.368 4.955 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409081956 1066854831 /nfs/dbraw/zinc/85/48/31/1066854831.db2.gz QSEVIJWBQAXRJX-KHVWPYCOSA-N -1 0 598.302 4.582 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409081967 1066319970 /nfs/dbraw/zinc/31/99/70/1066319970.db2.gz QSEVIJWBQAXRJX-KYSILRCISA-N -1 0 598.302 4.582 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(Br)c3O)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409082229 1066319769 /nfs/dbraw/zinc/31/97/69/1066319769.db2.gz RNIFEDSWAFMNGH-GSERBOKHSA-N -1 0 644.341 4.888 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(Br)c3O)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409082231 1066854779 /nfs/dbraw/zinc/85/47/79/1066854779.db2.gz RNIFEDSWAFMNGH-PSXBWXLBSA-N -1 0 644.341 4.888 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409082330 1066854226 /nfs/dbraw/zinc/85/42/26/1066854226.db2.gz SGNPUTPBNUMZPM-KHVWPYCOSA-N -1 0 642.753 4.691 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409082335 1066854847 /nfs/dbraw/zinc/85/48/47/1066854847.db2.gz SGNPUTPBNUMZPM-KYSILRCISA-N -1 0 642.753 4.691 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409083103 1066853579 /nfs/dbraw/zinc/85/35/79/1066853579.db2.gz UWACDHUKSIIEMW-KHVWPYCOSA-N -1 0 687.204 4.800 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409083107 1066320047 /nfs/dbraw/zinc/32/00/47/1066320047.db2.gz UWACDHUKSIIEMW-KYSILRCISA-N -1 0 687.204 4.800 40 0 KJABRM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)c(OCC(=O)[O-])c(Cl)c4)c(=O)n32)cc1 ZINC000409083838 1066853029 /nfs/dbraw/zinc/85/30/29/1066853029.db2.gz WLPUJYRVKSRXPB-QTQKINJDSA-N -1 0 624.502 4.653 40 0 KJABRM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)c(OCC(=O)[O-])c(Cl)c4)c(=O)n32)cc1 ZINC000409083844 1066853054 /nfs/dbraw/zinc/85/30/54/1066853054.db2.gz WLPUJYRVKSRXPB-ZKZBLMLZSA-N -1 0 624.502 4.653 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409084036 1066852272 /nfs/dbraw/zinc/85/22/72/1066852272.db2.gz WSHADKARHRWKLQ-KHVWPYCOSA-N -1 0 687.204 4.800 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409084039 1066320441 /nfs/dbraw/zinc/32/04/41/1066320441.db2.gz WSHADKARHRWKLQ-KYSILRCISA-N -1 0 687.204 4.800 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084640 1066851896 /nfs/dbraw/zinc/85/18/96/1066851896.db2.gz MNDWQXVPFVMGQE-CCVBWGSMSA-N -1 0 667.534 4.926 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084646 1066851776 /nfs/dbraw/zinc/85/17/76/1066851776.db2.gz MNDWQXVPFVMGQE-ZWTBYVTRSA-N -1 0 667.534 4.926 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084860 1066851840 /nfs/dbraw/zinc/85/18/40/1066851840.db2.gz QTFAYKHTEVEOTB-CCVBWGSMSA-N -1 0 667.534 4.926 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084863 1066851890 /nfs/dbraw/zinc/85/18/90/1066851890.db2.gz QTFAYKHTEVEOTB-ZWTBYVTRSA-N -1 0 667.534 4.926 40 0 KJABRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000409085499 1066851110 /nfs/dbraw/zinc/85/11/10/1066851110.db2.gz DBNCKLTXVQSDQU-CIAFOILYSA-N -1 0 525.330 4.958 40 0 KJABRM O=C1Nc2ccccc2S/C1=C\c1cc(I)c([O-])c(I)c1 ZINC000409086406 1066850685 /nfs/dbraw/zinc/85/06/85/1066850685.db2.gz DPZUQXAUWYIWDX-QPEQYQDCSA-N -1 0 521.117 4.687 40 0 KJABRM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c([O-])c(I)c4)c(=O)n32)cc1 ZINC000409086615 1066849986 /nfs/dbraw/zinc/84/99/86/1066849986.db2.gz FPRRVFYXTLWZRR-MGSPXPDISA-N -1 0 749.368 4.797 40 0 KJABRM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c([O-])c(I)c4)c(=O)n32)cc1 ZINC000409086616 1066850047 /nfs/dbraw/zinc/85/00/47/1066850047.db2.gz FPRRVFYXTLWZRR-XPCGLTFESA-N -1 0 749.368 4.797 40 0 KJABRM CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409087168 1066849416 /nfs/dbraw/zinc/84/94/16/1066849416.db2.gz GQWFNNPJTGUHQL-VXLYETTFSA-N -1 0 534.384 4.714 40 0 KJABRM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4[O-])c(=O)n32)cc1 ZINC000409087202 1066849382 /nfs/dbraw/zinc/84/93/82/1066849382.db2.gz HCYMVPGYADGFRU-JGTYQCAFSA-N -1 0 566.466 4.895 40 0 KJABRM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4[O-])c(=O)n32)cc1 ZINC000409087205 1066849437 /nfs/dbraw/zinc/84/94/37/1066849437.db2.gz HCYMVPGYADGFRU-LYRGBEMXSA-N -1 0 566.466 4.895 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087276 1066849358 /nfs/dbraw/zinc/84/93/58/1066849358.db2.gz SQUILWLXXWWLLR-CCVBWGSMSA-N -1 0 667.534 4.926 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087279 1066320872 /nfs/dbraw/zinc/32/08/72/1066320872.db2.gz SQUILWLXXWWLLR-ZWTBYVTRSA-N -1 0 667.534 4.926 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088797 1066868753 /nfs/dbraw/zinc/86/87/53/1066868753.db2.gz YGRJKTXJYVKTOA-HMEHKCSNSA-N -1 0 825.257 4.883 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088800 1066868651 /nfs/dbraw/zinc/86/86/51/1066868651.db2.gz YGRJKTXJYVKTOA-QVFHAIOXSA-N -1 0 825.257 4.883 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090160 1066866902 /nfs/dbraw/zinc/86/69/02/1066866902.db2.gz LTLZFVZTBMETDG-JASXYKIFSA-N -1 0 700.391 4.738 40 0 KJABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090161 1066866976 /nfs/dbraw/zinc/86/69/76/1066866976.db2.gz LTLZFVZTBMETDG-YOKXWHKFSA-N -1 0 700.391 4.738 40 0 KJABRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409090320 1066866982 /nfs/dbraw/zinc/86/69/82/1066866982.db2.gz OYJLHHNXXYRPOM-PRWBYUBPSA-N -1 0 686.797 4.830 40 0 KJABRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409090321 1066866920 /nfs/dbraw/zinc/86/69/20/1066866920.db2.gz OYJLHHNXXYRPOM-SRKIZSPNSA-N -1 0 686.797 4.830 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409091090 1066865803 /nfs/dbraw/zinc/86/58/03/1066865803.db2.gz TXRMSXGDBBDUDH-SRZZPIQSSA-N -1 0 555.356 4.967 40 0 KJABRM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409091412 1066865215 /nfs/dbraw/zinc/86/52/15/1066865215.db2.gz UFEBNXNHQGTDQW-YDZHTSKRSA-N -1 0 563.994 4.856 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409091462 1066864728 /nfs/dbraw/zinc/86/47/28/1066864728.db2.gz UQUJNMLSULMCNE-SRZZPIQSSA-N -1 0 510.905 4.858 40 0 KJABRM CCCN1C(=O)C(=Cc2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)cc2Br)NC1=S ZINC000409092678 1066863564 /nfs/dbraw/zinc/86/35/64/1066863564.db2.gz VPFSCIZSIKVYRT-ZDLGFXPLSA-N -1 0 519.417 4.593 40 0 KJABRM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409093175 1066204450 /nfs/dbraw/zinc/20/44/50/1066204450.db2.gz XUIPQKPLFSXCAK-NNAGEYCMSA-N -1 0 591.645 4.841 40 0 KJABRM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409093176 1066862701 /nfs/dbraw/zinc/86/27/01/1066862701.db2.gz XUIPQKPLFSXCAK-PQRKSKNISA-N -1 0 591.645 4.841 40 0 KJABRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409093669 1066862339 /nfs/dbraw/zinc/86/23/39/1066862339.db2.gz BOCOMQDEBUQTQV-MRCZTLKWSA-N -1 0 595.346 4.879 40 0 KJABRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409093672 1066862293 /nfs/dbraw/zinc/86/22/93/1066862293.db2.gz BOCOMQDEBUQTQV-ZNQKWNQWSA-N -1 0 595.346 4.879 40 0 KJABRM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409093691 1066320992 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CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409212173 1066965828 /nfs/dbraw/zinc/96/58/28/1066965828.db2.gz NPACVHACKJACBQ-WSDLNYQXSA-N -1 0 659.408 4.638 40 0 KJABRM O=C([O-])COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1I ZINC000409218276 1066972069 /nfs/dbraw/zinc/97/20/69/1066972069.db2.gz ZWDSMPADTSBLFN-VIZOYTHASA-N -1 0 515.712 4.649 40 0 KJABRM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409220687 1066970698 /nfs/dbraw/zinc/97/06/98/1066970698.db2.gz DIHMBNRJXPBZFB-FSJBWODESA-N -1 0 536.537 4.787 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409220783 1066970566 /nfs/dbraw/zinc/97/05/66/1066970566.db2.gz FREZVRMHWAKLHQ-OEAKJJBVSA-N -1 0 578.419 4.820 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409221024 1066970621 /nfs/dbraw/zinc/97/06/21/1066970621.db2.gz JKYJHPKIRVUMSC-CIAFOILYSA-N -1 0 537.366 4.828 40 0 KJABRM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000409221597 1066338998 /nfs/dbraw/zinc/33/89/98/1066338998.db2.gz SQERJIJCWZPBBF-QGMBQPNBSA-N -1 0 569.817 4.640 40 0 KJABRM O=C([O-])COc1ccc(Br)cc1C=C1SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O ZINC000409221733 1066970167 /nfs/dbraw/zinc/97/01/67/1066970167.db2.gz AHFONEMLZJIYOI-CAOOACKPSA-N -1 0 555.200 4.594 40 0 KJABRM COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409223939 1066968849 /nfs/dbraw/zinc/96/88/49/1066968849.db2.gz GSHPWKCRDIZDSL-XDHOZWIPSA-N -1 0 553.374 4.641 40 0 KJABRM O=C(CN1C(=O)SC(=Cc2cc(I)c([O-])c(I)c2)C1=O)c1ccccc1 ZINC000409227176 1066966559 /nfs/dbraw/zinc/96/65/59/1066966559.db2.gz SZEGSFLDTRTHSP-OVCLIPMQSA-N -1 0 591.164 4.521 40 0 KJABRM CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409228876 1066972942 /nfs/dbraw/zinc/97/29/42/1066972942.db2.gz GMPMUHPMMDIIIB-LICLKQGHSA-N -1 0 538.192 4.792 40 0 KJABRM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409229288 1066972884 /nfs/dbraw/zinc/97/28/84/1066972884.db2.gz MRHKDMADDWZELE-LPYMAVHISA-N -1 0 579.993 4.556 40 0 KJABRM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000409229661 1066338978 /nfs/dbraw/zinc/33/89/78/1066338978.db2.gz SNZJIOWBVULIOL-UNOMPAQXSA-N -1 0 526.368 4.613 40 0 KJABRM O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)cc2)cc1 ZINC000409230751 1066977633 /nfs/dbraw/zinc/97/76/33/1066977633.db2.gz GBKBLTCNPIBMSH-WSDLNYQXSA-N -1 0 506.511 4.778 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409230999 1066339788 /nfs/dbraw/zinc/33/97/88/1066339788.db2.gz AQOLKXYVQJFNJB-CIAFOILYSA-N -1 0 584.366 4.670 40 0 KJABRM Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409232275 1066977314 /nfs/dbraw/zinc/97/73/14/1066977314.db2.gz PSRIENKCAXKCBF-LPYMAVHISA-N -1 0 568.367 4.970 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409232592 195510324 /nfs/dbraw/zinc/51/03/24/195510324.db2.gz ACWMCIBNSCTGLV-WSDLNYQXSA-N -1 0 598.393 4.978 40 0 KJABRM O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)cc2)c1 ZINC000409232993 1066977075 /nfs/dbraw/zinc/97/70/75/1066977075.db2.gz UBZJBFOSOXTTQJ-WSDLNYQXSA-N -1 0 506.511 4.778 40 0 KJABRM COCCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000409233077 1066977013 /nfs/dbraw/zinc/97/70/13/1066977013.db2.gz JSRXGZWELNQCAA-XDHOZWIPSA-N -1 0 583.400 4.650 40 0 KJABRM COCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000409234787 1066975889 /nfs/dbraw/zinc/97/58/89/1066975889.db2.gz MMGVBIYDJVQZLX-XDHOZWIPSA-N -1 0 536.400 4.808 40 0 KJABRM O=C([O-])c1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2Br)cc1 ZINC000409234993 1066340302 /nfs/dbraw/zinc/34/03/02/1066340302.db2.gz AIOVYYWWUCYVPB-FYJGNVAPSA-N -1 0 507.340 4.819 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409235373 1066975815 /nfs/dbraw/zinc/97/58/15/1066975815.db2.gz PFGUWHXXBPBOJK-WSDLNYQXSA-N -1 0 598.393 4.978 40 0 KJABRM O=C([O-])c1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2Br)c1 ZINC000409235515 1066975537 /nfs/dbraw/zinc/97/55/37/1066975537.db2.gz BXMIGTQYEMSOPO-FYJGNVAPSA-N -1 0 507.340 4.819 40 0 KJABRM COCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000409235636 1066340405 /nfs/dbraw/zinc/34/04/05/1066340405.db2.gz PKSRNPDBIOLUEX-XDHOZWIPSA-N -1 0 583.400 4.650 40 0 KJABRM Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000409235681 1066975531 /nfs/dbraw/zinc/97/55/31/1066975531.db2.gz PRZDKWBOHMXKSG-LPYMAVHISA-N -1 0 568.367 4.970 40 0 KJABRM O=C(CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(I)c2)C1=O)Nc1cccc(F)c1 ZINC000409236046 1066975090 /nfs/dbraw/zinc/97/50/90/1066975090.db2.gz FDXACHUESMYEFC-MKMNVTDBSA-N -1 0 577.169 4.573 40 0 KJABRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1 ZINC000409236113 1066975051 /nfs/dbraw/zinc/97/50/51/1066975051.db2.gz RCNJVGXYXNXKHL-OEAKJJBVSA-N -1 0 518.547 4.647 40 0 KJABRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c(Br)c3)C2=O)cc1 ZINC000409236250 1066974957 /nfs/dbraw/zinc/97/49/57/1066974957.db2.gz FRMJQHAKJCICRJ-OVCLIPMQSA-N -1 0 542.205 4.601 40 0 KJABRM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409236475 1066974705 /nfs/dbraw/zinc/97/47/05/1066974705.db2.gz GVJXOGRELHRSDD-LPYMAVHISA-N -1 0 671.444 4.507 40 0 KJABRM O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000409236955 1066339730 /nfs/dbraw/zinc/33/97/30/1066339730.db2.gz HDYZXKFMBURBIF-WSDLNYQXSA-N -1 0 506.511 4.778 40 0 KJABRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409237519 1066984351 /nfs/dbraw/zinc/98/43/51/1066984351.db2.gz XEWXFQLQFCVGGO-ZVHZXABRSA-N -1 0 548.573 4.656 40 0 KJABRM COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000409237857 1066984368 /nfs/dbraw/zinc/98/43/68/1066984368.db2.gz XNNHBLYPFGHOID-WSDLNYQXSA-N -1 0 536.537 4.787 40 0 KJABRM O=C(CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O)Nc1cccc(F)c1 ZINC000409238415 1066404691 /nfs/dbraw/zinc/40/46/91/1066404691.db2.gz ZQPWDNNGVDHVND-MKMNVTDBSA-N -1 0 530.169 4.731 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000409238434 1066983509 /nfs/dbraw/zinc/98/35/09/1066983509.db2.gz ZZQVRDWFBURCJW-YDZHTSKRSA-N -1 0 563.994 4.720 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000409238736 1066983399 /nfs/dbraw/zinc/98/33/99/1066983399.db2.gz LSYCQHWCTQVBDO-OEAKJJBVSA-N -1 0 533.968 4.711 40 0 KJABRM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409238874 1066983538 /nfs/dbraw/zinc/98/35/38/1066983538.db2.gz OCWUMRSWBZJDPJ-CIAFOILYSA-N -1 0 753.287 4.713 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409238986 1066982973 /nfs/dbraw/zinc/98/29/73/1066982973.db2.gz YBRMSCLGSJOJIT-OEAKJJBVSA-N -1 0 625.419 4.662 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409239525 1066982628 /nfs/dbraw/zinc/98/26/28/1066982628.db2.gz NPSATBIVRKXQLZ-OEAKJJBVSA-N -1 0 578.419 4.820 40 0 KJABRM COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409239895 1066982697 /nfs/dbraw/zinc/98/26/97/1066982697.db2.gz NYBSNEALLHBYIB-XDHOZWIPSA-N -1 0 506.374 4.799 40 0 KJABRM O=C(CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O)Nc1ccccc1Cl ZINC000409240301 1066405372 /nfs/dbraw/zinc/40/53/72/1066405372.db2.gz SIAWWIYHQSWNTN-VGOFMYFVSA-N -1 0 640.624 4.930 40 0 KJABRM O=C([O-])COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1I ZINC000409240581 1066982472 /nfs/dbraw/zinc/98/24/72/1066982472.db2.gz GZMLDPJYUORJSO-VIZOYTHASA-N -1 0 698.660 4.688 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409240673 1066981894 /nfs/dbraw/zinc/98/18/94/1066981894.db2.gz UVLOMJGTCAFSFD-CIAFOILYSA-N -1 0 584.366 4.670 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000409240749 1066982378 /nfs/dbraw/zinc/98/23/78/1066982378.db2.gz PQTZTCJHBLRKPS-YDZHTSKRSA-N -1 0 608.445 4.829 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000409240816 1066981858 /nfs/dbraw/zinc/98/18/58/1066981858.db2.gz IEKGYDHTOHIKMV-YDZHTSKRSA-N -1 0 563.994 4.720 40 0 KJABRM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409240990 1066981945 /nfs/dbraw/zinc/98/19/45/1066981945.db2.gz WABGKLNHXMGECU-LPYMAVHISA-N -1 0 579.993 4.556 40 0 KJABRM COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409241304 1066981959 /nfs/dbraw/zinc/98/19/59/1066981959.db2.gz QZEWDJBGTGJGDL-XDHOZWIPSA-N -1 0 506.374 4.799 40 0 KJABRM COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000409241448 1066981630 /nfs/dbraw/zinc/98/16/30/1066981630.db2.gz NJGPUIOZJDGKOM-XDHOZWIPSA-N -1 0 536.400 4.808 40 0 KJABRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000409241500 1066981881 /nfs/dbraw/zinc/98/18/81/1066981881.db2.gz NZSMMYNNFZGQHZ-FYJGNVAPSA-N -1 0 507.340 4.819 40 0 KJABRM O=C([O-])COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1I ZINC000409242133 1066981530 /nfs/dbraw/zinc/98/15/30/1066981530.db2.gz MNFJANXKEXGAOY-VIZOYTHASA-N -1 0 651.660 4.846 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000409242188 1066981606 /nfs/dbraw/zinc/98/16/06/1066981606.db2.gz NLDJQQLJOHNYFO-YDZHTSKRSA-N -1 0 608.445 4.829 40 0 KJABRM O=C([O-])COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Cl ZINC000409242262 1066981651 /nfs/dbraw/zinc/98/16/51/1066981651.db2.gz WLXPKQLRMFSGGE-VIZOYTHASA-N -1 0 515.758 4.785 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409243061 1066980674 /nfs/dbraw/zinc/98/06/74/1066980674.db2.gz VCSZJXYOBHCEFF-WSDLNYQXSA-N -1 0 598.393 4.978 40 0 KJABRM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409243413 1066980655 /nfs/dbraw/zinc/98/06/55/1066980655.db2.gz WFIFOHJSSJUQMX-FSJBWODESA-N -1 0 536.537 4.787 40 0 KJABRM COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O ZINC000409244385 1066979873 /nfs/dbraw/zinc/97/98/73/1066979873.db2.gz BUOIKTFQNGYMOW-XDHOZWIPSA-N -1 0 506.374 4.799 40 0 KJABRM O=C([O-])c1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2I)cc1 ZINC000409244422 1066979865 /nfs/dbraw/zinc/97/98/65/1066979865.db2.gz CLJRHDZIFFOVQL-FYJGNVAPSA-N -1 0 554.340 4.661 40 0 KJABRM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409244464 1066979969 /nfs/dbraw/zinc/97/99/69/1066979969.db2.gz DAFUPOVNYPNQAA-PCLIKHOPSA-N -1 0 551.555 4.657 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O ZINC000409244653 1066979836 /nfs/dbraw/zinc/97/98/36/1066979836.db2.gz GVXFHQAAILYHHF-OEAKJJBVSA-N -1 0 578.419 4.820 40 0 KJABRM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409245450 1066979348 /nfs/dbraw/zinc/97/93/48/1066979348.db2.gz SZXJQGDZRRGPER-CIAFOILYSA-N -1 0 537.366 4.828 40 0 KJABRM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409245901 1066979609 /nfs/dbraw/zinc/97/96/09/1066979609.db2.gz AQNXICYTTRPYED-CIAFOILYSA-N -1 0 570.385 4.811 40 0 KJABRM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409246470 1066978965 /nfs/dbraw/zinc/97/89/65/1066978965.db2.gz BRTBWCVWTIVEQT-LPYMAVHISA-N -1 0 624.444 4.665 40 0 KJABRM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409247225 1066978157 /nfs/dbraw/zinc/97/81/57/1066978157.db2.gz GYLPXXFFVHLMTJ-RQZCQDPDSA-N -1 0 569.817 4.640 40 0 KJABRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3OCc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000409247804 1066986961 /nfs/dbraw/zinc/98/69/61/1066986961.db2.gz NZXAMEMUIARJCL-OEAKJJBVSA-N -1 0 548.573 4.656 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000409247817 1066986977 /nfs/dbraw/zinc/98/69/77/1066986977.db2.gz OCIUWJBUJJVCJX-YDZHTSKRSA-N -1 0 655.445 4.671 40 0 KJABRM O=C([O-])COc1c(Br)cc(I)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409247878 1066986895 /nfs/dbraw/zinc/98/68/95/1066986895.db2.gz OPVUJYBAOAIYAN-GIDUJCDVSA-N -1 0 651.660 4.846 40 0 KJABRM O=C(CN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2[O-])C1=O)Nc1cccc(F)c1 ZINC000409248047 1066986925 /nfs/dbraw/zinc/98/69/25/1066986925.db2.gz JRSMBABZRDIYIO-LHHJGKSTSA-N -1 0 530.169 4.731 40 0 KJABRM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000409248692 1066986302 /nfs/dbraw/zinc/98/63/02/1066986302.db2.gz IABLNYVUSVWMGH-YDZHTSKRSA-N -1 0 655.445 4.671 40 0 KJABRM 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O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)cc1Cl ZINC000409271887 1067004875 /nfs/dbraw/zinc/00/48/75/1067004875.db2.gz DSGXAHGGVNOTNN-UUYOSTAYSA-N -1 0 522.966 4.919 40 0 KJABRM COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1Cl ZINC000409274354 1067012689 /nfs/dbraw/zinc/01/26/89/1067012689.db2.gz WHXVHUALVCCPPS-JAIQZWGSSA-N -1 0 512.927 4.982 40 0 KJABRM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000409274496 1067012216 /nfs/dbraw/zinc/01/22/16/1067012216.db2.gz DQGNOIFQBMMYMQ-RGVLZGJSSA-N -1 0 541.379 4.741 40 0 KJABRM Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000409275217 1067011147 /nfs/dbraw/zinc/01/11/47/1067011147.db2.gz SOPRUDWFVOIPQC-REZTVBANSA-N -1 0 539.791 4.549 40 0 KJABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000409328136 1067055529 /nfs/dbraw/zinc/05/55/29/1067055529.db2.gz PJMWKJOYLYBICS-UHFFFAOYSA-N -1 0 581.672 4.582 40 0 KJABRM CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1 ZINC000409329863 1066358086 /nfs/dbraw/zinc/35/80/86/1066358086.db2.gz HXEPJCLIXOQNBD-VXLYETTFSA-N -1 0 533.400 4.711 40 0 KJABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1 ZINC000409330683 1067054438 /nfs/dbraw/zinc/05/44/38/1067054438.db2.gz LYCSRTFFHWPLFX-UHFFFAOYSA-N -1 0 595.699 4.890 40 0 KJABRM O=C(CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O)Nc1ccc(I)cc1 ZINC000409333272 1067052683 /nfs/dbraw/zinc/05/26/83/1067052683.db2.gz RPBQCZVSDSMUFB-VGOFMYFVSA-N -1 0 732.075 4.881 40 0 KJABRM O=C(CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1ccc(I)cc1 ZINC000409334302 1067051801 /nfs/dbraw/zinc/05/18/01/1067051801.db2.gz WWANCAQMINZASZ-AUWJEWJLSA-N -1 0 549.173 4.979 40 0 KJABRM C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C ZINC000409334560 1067051758 /nfs/dbraw/zinc/05/17/58/1067051758.db2.gz GYRNSIDVJLECFE-CSMYWGQOSA-N -1 0 628.289 4.732 40 0 KJABRM C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C ZINC000409334561 1067051965 /nfs/dbraw/zinc/05/19/65/1067051965.db2.gz GYRNSIDVJLECFE-DQYPLSBCSA-N -1 0 628.289 4.732 40 0 KJABRM C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C ZINC000409334563 1066357999 /nfs/dbraw/zinc/35/79/99/1066357999.db2.gz GYRNSIDVJLECFE-JLZZUVOBSA-N -1 0 628.289 4.732 40 0 KJABRM C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C ZINC000409334565 1066357828 /nfs/dbraw/zinc/35/78/28/1066357828.db2.gz GYRNSIDVJLECFE-OAUYIBNBSA-N -1 0 628.289 4.732 40 0 KJABRM CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc(I)c1OCC(=O)[O-] ZINC000409336545 1066359367 /nfs/dbraw/zinc/35/93/67/1066359367.db2.gz OZVMSKZZKIKQRA-UHFFFAOYSA-N -1 0 540.379 4.800 40 0 KJABRM CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccccc1F ZINC000409337751 1067064374 /nfs/dbraw/zinc/06/43/74/1067064374.db2.gz ZVUFYAKLPPHJBJ-INIZCTEOSA-N -1 0 626.204 4.815 40 0 KJABRM CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)Nc1ccccc1F ZINC000409337753 1067064040 /nfs/dbraw/zinc/06/40/40/1067064040.db2.gz ZVUFYAKLPPHJBJ-MRXNPFEDSA-N -1 0 626.204 4.815 40 0 KJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000409343307 1067059742 /nfs/dbraw/zinc/05/97/42/1067059742.db2.gz GJPOWPCSIWDKFW-UHFFFAOYSA-N -1 0 565.673 4.882 40 0 KJABRM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409344506 1067058698 /nfs/dbraw/zinc/05/86/98/1067058698.db2.gz JTNDVLXRGOOPBY-UHFFFAOYSA-N -1 0 613.689 4.786 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409344720 1067058600 /nfs/dbraw/zinc/05/86/00/1067058600.db2.gz JXIQIKPRAXRLPB-UHFFFAOYSA-N -1 0 501.362 4.903 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000409346480 1067057162 /nfs/dbraw/zinc/05/71/62/1067057162.db2.gz KWVCNKBIBFHIRX-UHFFFAOYSA-N -1 0 595.699 4.890 40 0 KJABRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)o1 ZINC000409346725 1067057057 /nfs/dbraw/zinc/05/70/57/1067057057.db2.gz OGWIGWAJZVHNPK-ODLFYWEKSA-N -1 0 574.352 4.924 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409348906 1067073215 /nfs/dbraw/zinc/07/32/15/1067073215.db2.gz PWSWRWJXUPUOFT-FQEVSTJZSA-N -1 0 530.050 4.898 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409348909 1067073705 /nfs/dbraw/zinc/07/37/05/1067073705.db2.gz PWSWRWJXUPUOFT-HXUWFJFHSA-N -1 0 530.050 4.898 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409350985 1066360937 /nfs/dbraw/zinc/36/09/37/1066360937.db2.gz VEDZZVVORVPVHV-FQEVSTJZSA-N -1 0 516.023 4.508 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409350987 1067071429 /nfs/dbraw/zinc/07/14/29/1067071429.db2.gz VEDZZVVORVPVHV-HXUWFJFHSA-N -1 0 516.023 4.508 40 0 KJABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000409352714 1067069834 /nfs/dbraw/zinc/06/98/34/1067069834.db2.gz YRUNODATURBRPA-UHFFFAOYSA-N -1 0 581.672 4.582 40 0 KJABRM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000409353572 1067069014 /nfs/dbraw/zinc/06/90/14/1067069014.db2.gz NREMTYPCJNRDEQ-IBGZPJMESA-N -1 0 536.441 4.678 40 0 KJABRM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000409353573 1067069154 /nfs/dbraw/zinc/06/91/54/1067069154.db2.gz NREMTYPCJNRDEQ-LJQANCHMSA-N -1 0 536.441 4.678 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409353738 1067068585 /nfs/dbraw/zinc/06/85/85/1067068585.db2.gz QONMMZSRLPGFGA-FQEVSTJZSA-N -1 0 530.050 4.898 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409353739 1067068731 /nfs/dbraw/zinc/06/87/31/1067068731.db2.gz QONMMZSRLPGFGA-HXUWFJFHSA-N -1 0 530.050 4.898 40 0 KJABRM CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000409355120 1066361301 /nfs/dbraw/zinc/36/13/01/1066361301.db2.gz JBRLRDMOXNQZGY-IBGZPJMESA-N -1 0 536.441 4.678 40 0 KJABRM CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000409355123 1066361223 /nfs/dbraw/zinc/36/12/23/1066361223.db2.gz JBRLRDMOXNQZGY-LJQANCHMSA-N -1 0 536.441 4.678 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409355157 1067066770 /nfs/dbraw/zinc/06/67/70/1067066770.db2.gz JKWPANUZBUUEDS-GFCCVEGCSA-N -1 0 522.414 4.525 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409355160 1067066570 /nfs/dbraw/zinc/06/65/70/1067066570.db2.gz JKWPANUZBUUEDS-LBPRGKRZSA-N -1 0 522.414 4.525 40 0 KJABRM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000409357200 1067064591 /nfs/dbraw/zinc/06/45/91/1067064591.db2.gz JKQYQXJWZUPJQZ-IBGZPJMESA-N -1 0 536.441 4.678 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409357230 1067064680 /nfs/dbraw/zinc/06/46/80/1067064680.db2.gz HVXJZMKQTGSIFT-FQEVSTJZSA-N -1 0 516.023 4.508 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409357231 1067064563 /nfs/dbraw/zinc/06/45/63/1067064563.db2.gz HVXJZMKQTGSIFT-HXUWFJFHSA-N -1 0 516.023 4.508 40 0 KJABRM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000409357702 1067074903 /nfs/dbraw/zinc/07/49/03/1067074903.db2.gz JKQYQXJWZUPJQZ-LJQANCHMSA-N -1 0 536.441 4.678 40 0 KJABRM CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000409359706 1067082734 /nfs/dbraw/zinc/08/27/34/1067082734.db2.gz NEHATPNGKATLPY-IBGZPJMESA-N -1 0 536.441 4.678 40 0 KJABRM CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000409359709 1066363399 /nfs/dbraw/zinc/36/33/99/1066363399.db2.gz NEHATPNGKATLPY-LJQANCHMSA-N -1 0 536.441 4.678 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409360991 1067081892 /nfs/dbraw/zinc/08/18/92/1067081892.db2.gz PJJPOXORBDBRQK-GFCCVEGCSA-N -1 0 522.414 4.525 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409360995 1067081852 /nfs/dbraw/zinc/08/18/52/1067081852.db2.gz PJJPOXORBDBRQK-LBPRGKRZSA-N -1 0 522.414 4.525 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409361896 1067080878 /nfs/dbraw/zinc/08/08/78/1067080878.db2.gz FLHZCUGTUJJUTC-UHFFFAOYSA-N -1 0 501.362 4.903 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409364942 1067078014 /nfs/dbraw/zinc/07/80/14/1067078014.db2.gz WSHJSAVIWQUHSW-GFCCVEGCSA-N -1 0 522.414 4.525 40 0 KJABRM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409364945 1067078079 /nfs/dbraw/zinc/07/80/79/1067078079.db2.gz WSHJSAVIWQUHSW-LBPRGKRZSA-N -1 0 522.414 4.525 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409365517 1067077141 /nfs/dbraw/zinc/07/71/41/1067077141.db2.gz XSROTDLRUUXFJV-GFCCVEGCSA-N -1 0 522.414 4.525 40 0 KJABRM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409365518 1067076861 /nfs/dbraw/zinc/07/68/61/1067076861.db2.gz XSROTDLRUUXFJV-LBPRGKRZSA-N -1 0 522.414 4.525 40 0 KJABRM Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C2=O)c(C)c1 ZINC000409372624 1066363820 /nfs/dbraw/zinc/36/38/20/1066363820.db2.gz FQHQBJOKCWUOJW-GIJQJNRQSA-N -1 0 533.400 4.513 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409375599 1067086045 /nfs/dbraw/zinc/08/60/45/1067086045.db2.gz MWSFKTZHPXVPBE-YSMPRRRNSA-N -1 0 558.612 4.594 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409376143 1067084834 /nfs/dbraw/zinc/08/48/34/1067084834.db2.gz VBICUCUBRNAWHO-BKUYFWCQSA-N -1 0 589.464 4.784 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409376271 1066363416 /nfs/dbraw/zinc/36/34/16/1066363416.db2.gz WOIHXCMNOVVZTC-DHIUTWEWSA-N -1 0 570.392 4.549 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409376272 1067085850 /nfs/dbraw/zinc/08/58/50/1067085850.db2.gz WOIHXCMNOVVZTC-GOTSBHOMSA-N -1 0 570.392 4.549 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1cccc(C)c1)[C@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409376273 1067085685 /nfs/dbraw/zinc/08/56/85/1067085685.db2.gz WOIHXCMNOVVZTC-PKTZIBPZSA-N -1 0 570.392 4.549 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409376274 1067085593 /nfs/dbraw/zinc/08/55/93/1067085593.db2.gz WOIHXCMNOVVZTC-XZOQPEGZSA-N -1 0 570.392 4.549 40 0 KJABRM COc1ccccc1CNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409376423 1066363280 /nfs/dbraw/zinc/36/32/80/1066363280.db2.gz ARBAPUIATCOZKT-FCHUYYIVSA-N -1 0 613.463 4.885 40 0 KJABRM COc1ccccc1CNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409376425 1067085878 /nfs/dbraw/zinc/08/58/78/1067085878.db2.gz ARBAPUIATCOZKT-FGZHOGPDSA-N -1 0 613.463 4.885 40 0 KJABRM COc1ccccc1CNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409376426 1067085712 /nfs/dbraw/zinc/08/57/12/1067085712.db2.gz ARBAPUIATCOZKT-VXKWHMMOSA-N -1 0 613.463 4.885 40 0 KJABRM COc1ccccc1CNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409376428 1067085865 /nfs/dbraw/zinc/08/58/65/1067085865.db2.gz ARBAPUIATCOZKT-YADHBBJMSA-N -1 0 613.463 4.885 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409376431 1067085835 /nfs/dbraw/zinc/08/58/35/1067085835.db2.gz ARHPBEKKWGQHOH-FCHUYYIVSA-N -1 0 574.369 4.644 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409376434 1067085558 /nfs/dbraw/zinc/08/55/58/1067085558.db2.gz ARHPBEKKWGQHOH-FGZHOGPDSA-N -1 0 574.369 4.644 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409376436 1067085906 /nfs/dbraw/zinc/08/59/06/1067085906.db2.gz ARHPBEKKWGQHOH-VXKWHMMOSA-N -1 0 574.369 4.644 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409376438 1067085695 /nfs/dbraw/zinc/08/56/95/1067085695.db2.gz ARHPBEKKWGQHOH-YADHBBJMSA-N -1 0 574.369 4.644 40 0 KJABRM O=C([O-])c1cccc(COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2Br)c1 ZINC000409376927 1067085097 /nfs/dbraw/zinc/08/50/97/1067085097.db2.gz CALLKVYHJZOYPW-BKUYFWCQSA-N -1 0 559.438 4.775 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccc(C)cc1)[C@@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409377186 1067084823 /nfs/dbraw/zinc/08/48/23/1067084823.db2.gz GQUXNYIJDGPRJV-DHIUTWEWSA-N -1 0 570.392 4.549 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1ccc(C)cc1)[C@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409377188 1067084887 /nfs/dbraw/zinc/08/48/87/1067084887.db2.gz GQUXNYIJDGPRJV-GOTSBHOMSA-N -1 0 570.392 4.549 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccc(C)cc1)[C@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409377190 1067084692 /nfs/dbraw/zinc/08/46/92/1067084692.db2.gz GQUXNYIJDGPRJV-PKTZIBPZSA-N -1 0 570.392 4.549 40 0 KJABRM COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1ccc(C)cc1)[C@@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409377192 1067084780 /nfs/dbraw/zinc/08/47/80/1067084780.db2.gz GQUXNYIJDGPRJV-XZOQPEGZSA-N -1 0 570.392 4.549 40 0 KJABRM Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409377330 1067093155 /nfs/dbraw/zinc/09/31/55/1067093155.db2.gz GLFUNEBRZKTWGN-LEWJYISDSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409377331 1067092854 /nfs/dbraw/zinc/09/28/54/1067092854.db2.gz GLFUNEBRZKTWGN-NHCUHLMSSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409377332 1067092795 /nfs/dbraw/zinc/09/27/95/1067092795.db2.gz GLFUNEBRZKTWGN-RTWAWAEBSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409377333 1067093092 /nfs/dbraw/zinc/09/30/92/1067093092.db2.gz GLFUNEBRZKTWGN-SFTDATJTSA-N -1 0 516.333 4.776 40 0 KJABRM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000409377393 1067092809 /nfs/dbraw/zinc/09/28/09/1067092809.db2.gz HEXXLAZAEMORQC-MYYYXRDXSA-N -1 0 528.586 4.585 40 0 KJABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000409377670 1067092619 /nfs/dbraw/zinc/09/26/19/1067092619.db2.gz KELUSGJXYMOCFA-FCHUYYIVSA-N -1 0 606.809 4.594 40 0 KJABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000409377671 1067092468 /nfs/dbraw/zinc/09/24/68/1067092468.db2.gz KELUSGJXYMOCFA-FGZHOGPDSA-N -1 0 606.809 4.594 40 0 KJABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000409377672 1067092322 /nfs/dbraw/zinc/09/23/22/1067092322.db2.gz KELUSGJXYMOCFA-VXKWHMMOSA-N -1 0 606.809 4.594 40 0 KJABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409377673 1067092564 /nfs/dbraw/zinc/09/25/64/1067092564.db2.gz KELUSGJXYMOCFA-YADHBBJMSA-N -1 0 606.809 4.594 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409378647 1067091835 /nfs/dbraw/zinc/09/18/35/1067091835.db2.gz QWKHEDJCSFKVJB-BKUYFWCQSA-N -1 0 545.013 4.675 40 0 KJABRM O=C([O-])c1cccc(COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)cc2)c1 ZINC000409378830 1067092077 /nfs/dbraw/zinc/09/20/77/1067092077.db2.gz SBWYUKFMXXLNQR-MYYYXRDXSA-N -1 0 528.586 4.585 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(Br)cc2)c1 ZINC000409379266 1067091446 /nfs/dbraw/zinc/09/14/46/1067091446.db2.gz WKAAGYHVOMSPNQ-FCHUYYIVSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(Br)cc2)c1 ZINC000409379267 1066365655 /nfs/dbraw/zinc/36/56/55/1066365655.db2.gz WKAAGYHVOMSPNQ-FGZHOGPDSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(Br)cc2)c1 ZINC000409379268 1067091542 /nfs/dbraw/zinc/09/15/42/1067091542.db2.gz WKAAGYHVOMSPNQ-VXKWHMMOSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1 ZINC000409379269 1067091683 /nfs/dbraw/zinc/09/16/83/1067091683.db2.gz WKAAGYHVOMSPNQ-YADHBBJMSA-N -1 0 540.366 4.540 40 0 KJABRM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409379372 1067105065 /nfs/dbraw/zinc/10/50/65/1067105065.db2.gz WMRCKCYRXJADQX-YUMHPJSZSA-N -1 0 572.639 4.984 40 0 KJABRM Cc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000409379418 1066365584 /nfs/dbraw/zinc/36/55/84/1066365584.db2.gz XGVCMJAWGAQOEO-LEWJYISDSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000409379419 1067104943 /nfs/dbraw/zinc/10/49/43/1067104943.db2.gz XGVCMJAWGAQOEO-NHCUHLMSSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000409379420 1067105117 /nfs/dbraw/zinc/10/51/17/1067105117.db2.gz XGVCMJAWGAQOEO-RTWAWAEBSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000409379421 1067104910 /nfs/dbraw/zinc/10/49/10/1067104910.db2.gz XGVCMJAWGAQOEO-SFTDATJTSA-N -1 0 516.333 4.776 40 0 KJABRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2Br)cc1 ZINC000409379703 1067104323 /nfs/dbraw/zinc/10/43/23/1067104323.db2.gz ZONNJINFKJVPLV-BKUYFWCQSA-N -1 0 559.438 4.775 40 0 KJABRM COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409380093 1067104218 /nfs/dbraw/zinc/10/42/18/1067104218.db2.gz HNUUQTFIFXITKI-LEWJYISDSA-N -1 0 627.446 4.985 40 0 KJABRM COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409380094 1066365516 /nfs/dbraw/zinc/36/55/16/1066365516.db2.gz HNUUQTFIFXITKI-NHCUHLMSSA-N -1 0 627.446 4.985 40 0 KJABRM COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409380095 1067104388 /nfs/dbraw/zinc/10/43/88/1067104388.db2.gz HNUUQTFIFXITKI-RTWAWAEBSA-N -1 0 627.446 4.985 40 0 KJABRM COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000409380096 1067104459 /nfs/dbraw/zinc/10/44/59/1067104459.db2.gz HNUUQTFIFXITKI-SFTDATJTSA-N -1 0 627.446 4.985 40 0 KJABRM O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2[O-])C1=O)N1CCc2ccccc2C1 ZINC000409380107 1067102983 /nfs/dbraw/zinc/10/29/83/1067102983.db2.gz HZVAEZCFDMGUQH-IUXPMGMMSA-N -1 0 552.244 4.538 40 0 KJABRM Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409380146 1067103577 /nfs/dbraw/zinc/10/35/77/1067103577.db2.gz JFSPKRZFGXOUKQ-LEWJYISDSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409380147 1067103701 /nfs/dbraw/zinc/10/37/01/1067103701.db2.gz JFSPKRZFGXOUKQ-NHCUHLMSSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409380148 1067103665 /nfs/dbraw/zinc/10/36/65/1067103665.db2.gz JFSPKRZFGXOUKQ-RTWAWAEBSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000409380149 1067103811 /nfs/dbraw/zinc/10/38/11/1067103811.db2.gz JFSPKRZFGXOUKQ-SFTDATJTSA-N -1 0 516.333 4.776 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409380156 1067103693 /nfs/dbraw/zinc/10/36/93/1067103693.db2.gz JIXURZUFKXCKIQ-FCHUYYIVSA-N -1 0 545.375 4.534 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409380157 1067103795 /nfs/dbraw/zinc/10/37/95/1067103795.db2.gz JIXURZUFKXCKIQ-FGZHOGPDSA-N -1 0 545.375 4.534 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409380158 1067103554 /nfs/dbraw/zinc/10/35/54/1067103554.db2.gz JIXURZUFKXCKIQ-VXKWHMMOSA-N -1 0 545.375 4.534 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409380159 1067103785 /nfs/dbraw/zinc/10/37/85/1067103785.db2.gz JIXURZUFKXCKIQ-YADHBBJMSA-N -1 0 545.375 4.534 40 0 KJABRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 ZINC000409380601 1067102977 /nfs/dbraw/zinc/10/29/77/1067102977.db2.gz OFJCHLYJOVFSSD-BKUYFWCQSA-N -1 0 559.438 4.775 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000409380689 1067102478 /nfs/dbraw/zinc/10/24/78/1067102478.db2.gz BDEFEDIZORZIKC-PMACEKPBSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000409380690 1067102500 /nfs/dbraw/zinc/10/25/00/1067102500.db2.gz BDEFEDIZORZIKC-UXHICEINSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000409380691 1067102412 /nfs/dbraw/zinc/10/24/12/1067102412.db2.gz BDEFEDIZORZIKC-VQTJNVASSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000409380692 1067102344 /nfs/dbraw/zinc/10/23/44/1067102344.db2.gz BDEFEDIZORZIKC-WOJBJXKFSA-N -1 0 520.296 4.607 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000409380756 1066365748 /nfs/dbraw/zinc/36/57/48/1066365748.db2.gz AEPPTNQSRMNKMN-YSMPRRRNSA-N -1 0 558.612 4.594 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409380863 1067102407 /nfs/dbraw/zinc/10/24/07/1067102407.db2.gz BIXCSXKVYKLZGI-BKUYFWCQSA-N -1 0 545.013 4.675 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409381007 1066364364 /nfs/dbraw/zinc/36/43/64/1066364364.db2.gz QSVITZRSEIIRAP-BKUYFWCQSA-N -1 0 589.464 4.784 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000409381164 1066364392 /nfs/dbraw/zinc/36/43/92/1066364392.db2.gz DKAVIPHHKZDVOB-FCHUYYIVSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000409381165 1067101854 /nfs/dbraw/zinc/10/18/54/1067101854.db2.gz DKAVIPHHKZDVOB-FGZHOGPDSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000409381166 1067101792 /nfs/dbraw/zinc/10/17/92/1067101792.db2.gz DKAVIPHHKZDVOB-VXKWHMMOSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000409381168 1067101874 /nfs/dbraw/zinc/10/18/74/1067101874.db2.gz DKAVIPHHKZDVOB-YADHBBJMSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Br)c2)cc1 ZINC000409381314 1067101238 /nfs/dbraw/zinc/10/12/38/1067101238.db2.gz FYSHTRBDUONCBV-FCHUYYIVSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Br)c2)cc1 ZINC000409381318 1067101143 /nfs/dbraw/zinc/10/11/43/1067101143.db2.gz FYSHTRBDUONCBV-FGZHOGPDSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Br)c2)cc1 ZINC000409381323 1067101197 /nfs/dbraw/zinc/10/11/97/1067101197.db2.gz FYSHTRBDUONCBV-VXKWHMMOSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(Br)c2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000409381325 1067101260 /nfs/dbraw/zinc/10/12/60/1067101260.db2.gz FYSHTRBDUONCBV-YADHBBJMSA-N -1 0 540.366 4.540 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381326 1067101228 /nfs/dbraw/zinc/10/12/28/1067101228.db2.gz SWYZZVJBQRNVNJ-FCHUYYIVSA-N -1 0 545.375 4.534 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381331 1067101278 /nfs/dbraw/zinc/10/12/78/1067101278.db2.gz SWYZZVJBQRNVNJ-FGZHOGPDSA-N -1 0 545.375 4.534 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381334 1067101162 /nfs/dbraw/zinc/10/11/62/1067101162.db2.gz SWYZZVJBQRNVNJ-VXKWHMMOSA-N -1 0 545.375 4.534 40 0 KJABRM CN(C)c1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381337 1067101207 /nfs/dbraw/zinc/10/12/07/1067101207.db2.gz SWYZZVJBQRNVNJ-YADHBBJMSA-N -1 0 545.375 4.534 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000409381339 1067101136 /nfs/dbraw/zinc/10/11/36/1067101136.db2.gz SYCIQVYDSLEXEC-FCHUYYIVSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000409381344 1067101129 /nfs/dbraw/zinc/10/11/29/1067101129.db2.gz SYCIQVYDSLEXEC-FGZHOGPDSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000409381348 1067101220 /nfs/dbraw/zinc/10/12/20/1067101220.db2.gz SYCIQVYDSLEXEC-VXKWHMMOSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1 ZINC000409381352 1067101254 /nfs/dbraw/zinc/10/12/54/1067101254.db2.gz SYCIQVYDSLEXEC-YADHBBJMSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000409381368 1067101151 /nfs/dbraw/zinc/10/11/51/1067101151.db2.gz FSRALHMKKPPVBE-CLJLJLNGSA-N -1 0 511.530 4.931 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc3ccccc32)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000409381375 1067101179 /nfs/dbraw/zinc/10/11/79/1067101179.db2.gz FSRALHMKKPPVBE-FTJBHMTQSA-N -1 0 511.530 4.931 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000409381378 1067101214 /nfs/dbraw/zinc/10/12/14/1067101214.db2.gz FSRALHMKKPPVBE-IZZNHLLZSA-N -1 0 511.530 4.931 40 0 KJABRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000409381384 1067101269 /nfs/dbraw/zinc/10/12/69/1067101269.db2.gz FSRALHMKKPPVBE-UIOOFZCWSA-N -1 0 511.530 4.931 40 0 KJABRM Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381493 1067100600 /nfs/dbraw/zinc/10/06/00/1067100600.db2.gz USGPBVRDFYPIAO-LEWJYISDSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381496 1067100759 /nfs/dbraw/zinc/10/07/59/1067100759.db2.gz USGPBVRDFYPIAO-NHCUHLMSSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381499 1067100613 /nfs/dbraw/zinc/10/06/13/1067100613.db2.gz USGPBVRDFYPIAO-RTWAWAEBSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381501 195511986 /nfs/dbraw/zinc/51/19/86/195511986.db2.gz USGPBVRDFYPIAO-SFTDATJTSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(Br)c2)c1 ZINC000409381745 1067100066 /nfs/dbraw/zinc/10/00/66/1067100066.db2.gz VYJATZXTGOQGHT-FCHUYYIVSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(Br)c2)c1 ZINC000409381748 1067100132 /nfs/dbraw/zinc/10/01/32/1067100132.db2.gz VYJATZXTGOQGHT-FGZHOGPDSA-N -1 0 540.366 4.540 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381750 1067099892 /nfs/dbraw/zinc/09/98/92/1067099892.db2.gz JKEKTMNNGFVEIG-FCHUYYIVSA-N -1 0 574.369 4.644 40 0 KJABRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(Br)c2)c1 ZINC000409381751 1067100076 /nfs/dbraw/zinc/10/00/76/1067100076.db2.gz VYJATZXTGOQGHT-VXKWHMMOSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(Br)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1 ZINC000409381753 1066364538 /nfs/dbraw/zinc/36/45/38/1066364538.db2.gz VYJATZXTGOQGHT-YADHBBJMSA-N -1 0 540.366 4.540 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381754 1067099841 /nfs/dbraw/zinc/09/98/41/1067099841.db2.gz JKEKTMNNGFVEIG-FGZHOGPDSA-N -1 0 574.369 4.644 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381757 195512807 /nfs/dbraw/zinc/51/28/07/195512807.db2.gz JKEKTMNNGFVEIG-VXKWHMMOSA-N -1 0 574.369 4.644 40 0 KJABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000409381760 1067100018 /nfs/dbraw/zinc/10/00/18/1067100018.db2.gz JKEKTMNNGFVEIG-YADHBBJMSA-N -1 0 574.369 4.644 40 0 KJABRM Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381811 1067100103 /nfs/dbraw/zinc/10/01/03/1067100103.db2.gz JWBMAFSROMMVPU-LEWJYISDSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381814 1067099876 /nfs/dbraw/zinc/09/98/76/1067099876.db2.gz JWBMAFSROMMVPU-NHCUHLMSSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381816 195512794 /nfs/dbraw/zinc/51/27/94/195512794.db2.gz JWBMAFSROMMVPU-RTWAWAEBSA-N -1 0 516.333 4.776 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1F ZINC000409381817 1067099955 /nfs/dbraw/zinc/09/99/55/1067099955.db2.gz NUZWGTNBKZZXSF-PMACEKPBSA-N -1 0 520.296 4.607 40 0 KJABRM Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000409381818 1067100033 /nfs/dbraw/zinc/10/00/33/1067100033.db2.gz JWBMAFSROMMVPU-SFTDATJTSA-N -1 0 516.333 4.776 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1F ZINC000409381819 1067099816 /nfs/dbraw/zinc/09/98/16/1067099816.db2.gz NUZWGTNBKZZXSF-UXHICEINSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1F ZINC000409381821 1067099834 /nfs/dbraw/zinc/09/98/34/1067099834.db2.gz NUZWGTNBKZZXSF-VQTJNVASSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1F ZINC000409381824 1067100648 /nfs/dbraw/zinc/10/06/48/1067100648.db2.gz NUZWGTNBKZZXSF-WOJBJXKFSA-N -1 0 520.296 4.607 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000409381953 1067099562 /nfs/dbraw/zinc/09/95/62/1067099562.db2.gz JCLZABDTCYHVKM-FCHUYYIVSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000409381954 1067099458 /nfs/dbraw/zinc/09/94/58/1067099458.db2.gz JCLZABDTCYHVKM-FGZHOGPDSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000409381955 1067099942 /nfs/dbraw/zinc/09/99/42/1067099942.db2.gz JCLZABDTCYHVKM-VXKWHMMOSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000409381956 1067099863 /nfs/dbraw/zinc/09/98/63/1067099863.db2.gz JCLZABDTCYHVKM-YADHBBJMSA-N -1 0 529.467 4.797 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000409382759 195516098 /nfs/dbraw/zinc/51/60/98/195516098.db2.gz QOGYRYSBSSSSGB-PMACEKPBSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000409382760 195516306 /nfs/dbraw/zinc/51/63/06/195516306.db2.gz QOGYRYSBSSSSGB-UXHICEINSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000409382762 195516146 /nfs/dbraw/zinc/51/61/46/195516146.db2.gz QOGYRYSBSSSSGB-VQTJNVASSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000409382764 195516289 /nfs/dbraw/zinc/51/62/89/195516289.db2.gz QOGYRYSBSSSSGB-WOJBJXKFSA-N -1 0 520.296 4.607 40 0 KJABRM Cc1ccccc1NC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000409383243 1067097786 /nfs/dbraw/zinc/09/77/86/1067097786.db2.gz SRSZDAVOJUZORX-LEWJYISDSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000409383244 1067097707 /nfs/dbraw/zinc/09/77/07/1067097707.db2.gz SRSZDAVOJUZORX-NHCUHLMSSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000409383246 195517655 /nfs/dbraw/zinc/51/76/55/195517655.db2.gz SRSZDAVOJUZORX-RTWAWAEBSA-N -1 0 516.333 4.776 40 0 KJABRM Cc1ccccc1NC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000409383248 195517578 /nfs/dbraw/zinc/51/75/78/195517578.db2.gz SRSZDAVOJUZORX-SFTDATJTSA-N -1 0 516.333 4.776 40 0 KJABRM O=C([O-])c1cccc(COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2Cl)c1 ZINC000409383321 195517899 /nfs/dbraw/zinc/51/78/99/195517899.db2.gz UHFPUJKRBWBJEJ-BKUYFWCQSA-N -1 0 514.987 4.666 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409383335 1067097900 /nfs/dbraw/zinc/09/79/00/1067097900.db2.gz UKDCAKVZOBYEMJ-BKUYFWCQSA-N -1 0 636.464 4.626 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409383387 1067097929 /nfs/dbraw/zinc/09/79/29/1067097929.db2.gz XFTZBTQSLSUIMS-PMACEKPBSA-N -1 0 546.757 4.577 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409383388 1067097843 /nfs/dbraw/zinc/09/78/43/1067097843.db2.gz XFTZBTQSLSUIMS-UXHICEINSA-N -1 0 546.757 4.577 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409383389 195518158 /nfs/dbraw/zinc/51/81/58/195518158.db2.gz XFTZBTQSLSUIMS-VQTJNVASSA-N -1 0 546.757 4.577 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409383390 1067097953 /nfs/dbraw/zinc/09/79/53/1067097953.db2.gz XFTZBTQSLSUIMS-WOJBJXKFSA-N -1 0 546.757 4.577 40 0 KJABRM O=C(CN1C(=O)S/C(=C\c2cc(Br)c([O-])c(Br)c2)C1=O)N1CCc2ccccc2C1 ZINC000409383474 1067097497 /nfs/dbraw/zinc/09/74/97/1067097497.db2.gz YMMXGOHRHPFVKO-MFOYZWKCSA-N -1 0 552.244 4.538 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000409383575 1067097982 /nfs/dbraw/zinc/09/79/82/1067097982.db2.gz XCHJWEQQVRMKMT-FCHUYYIVSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000409383576 1067097888 /nfs/dbraw/zinc/09/78/88/1067097888.db2.gz XCHJWEQQVRMKMT-FGZHOGPDSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000409383577 1067097698 /nfs/dbraw/zinc/09/76/98/1067097698.db2.gz XCHJWEQQVRMKMT-VXKWHMMOSA-N -1 0 529.467 4.797 40 0 KJABRM Cc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1 ZINC000409383578 195518782 /nfs/dbraw/zinc/51/87/82/195518782.db2.gz XCHJWEQQVRMKMT-YADHBBJMSA-N -1 0 529.467 4.797 40 0 KJABRM O=C(Nc1ccc(I)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409383886 195519253 /nfs/dbraw/zinc/51/92/53/195519253.db2.gz NIENZTUNWJTNAL-UHFFFAOYSA-N -1 0 512.756 4.998 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 ZINC000409384137 1067093364 /nfs/dbraw/zinc/09/33/64/1067093364.db2.gz ADTMRTADTQKFQG-PMACEKPBSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 ZINC000409384139 1067093456 /nfs/dbraw/zinc/09/34/56/1067093456.db2.gz ADTMRTADTQKFQG-UXHICEINSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 ZINC000409384141 1067093518 /nfs/dbraw/zinc/09/35/18/1067093518.db2.gz ADTMRTADTQKFQG-VQTJNVASSA-N -1 0 520.296 4.607 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 ZINC000409384142 1067093645 /nfs/dbraw/zinc/09/36/45/1067093645.db2.gz ADTMRTADTQKFQG-WOJBJXKFSA-N -1 0 520.296 4.607 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384365 1067096801 /nfs/dbraw/zinc/09/68/01/1067096801.db2.gz AKZUKFGMSVJRGC-NHDPSOOVSA-N -1 0 542.953 4.894 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384380 1066365099 /nfs/dbraw/zinc/36/50/99/1066365099.db2.gz ARDCNBKNLYBPHM-UCQKPKSFSA-N -1 0 509.536 4.989 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000409384721 1067096956 /nfs/dbraw/zinc/09/69/56/1067096956.db2.gz FNZCXJQMDPQZNG-FCHUYYIVSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000409384724 1067096665 /nfs/dbraw/zinc/09/66/65/1067096665.db2.gz FNZCXJQMDPQZNG-FGZHOGPDSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000409384727 1067096723 /nfs/dbraw/zinc/09/67/23/1067096723.db2.gz FNZCXJQMDPQZNG-VXKWHMMOSA-N -1 0 540.366 4.540 40 0 KJABRM Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000409384728 1067096814 /nfs/dbraw/zinc/09/68/14/1067096814.db2.gz FNZCXJQMDPQZNG-YADHBBJMSA-N -1 0 540.366 4.540 40 0 KJABRM COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384815 1067096288 /nfs/dbraw/zinc/09/62/88/1067096288.db2.gz DOOQINJWYDHPAU-NVMNQCDNSA-N -1 0 517.321 4.965 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384869 1067096538 /nfs/dbraw/zinc/09/65/38/1067096538.db2.gz GDKUWHDDCLFQBH-UUYOSTAYSA-N -1 0 522.535 4.549 40 0 KJABRM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C2=O)cc1 ZINC000409384875 1067096250 /nfs/dbraw/zinc/09/62/50/1067096250.db2.gz GKNKZZCSSFLAEU-QRVIBDJDSA-N -1 0 552.561 4.639 40 0 KJABRM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409384918 1067095871 /nfs/dbraw/zinc/09/58/71/1067095871.db2.gz GGWFZXYCQMYASJ-YDZHTSKRSA-N -1 0 537.546 4.979 40 0 KJABRM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409384925 1067096381 /nfs/dbraw/zinc/09/63/81/1067096381.db2.gz GLQLYFWMDQYBML-WSDLNYQXSA-N -1 0 523.519 4.589 40 0 KJABRM CCOc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409385019 1067096447 /nfs/dbraw/zinc/09/64/47/1067096447.db2.gz GOKZUEYLFFUBKE-FCHUYYIVSA-N -1 0 546.359 4.866 40 0 KJABRM CCOc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409385022 1067096552 /nfs/dbraw/zinc/09/65/52/1067096552.db2.gz GOKZUEYLFFUBKE-FGZHOGPDSA-N -1 0 546.359 4.866 40 0 KJABRM CCOc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409385024 1066364871 /nfs/dbraw/zinc/36/48/71/1066364871.db2.gz GOKZUEYLFFUBKE-VXKWHMMOSA-N -1 0 546.359 4.866 40 0 KJABRM CCOc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000409385026 1067096431 /nfs/dbraw/zinc/09/64/31/1067096431.db2.gz GOKZUEYLFFUBKE-YADHBBJMSA-N -1 0 546.359 4.866 40 0 KJABRM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385123 1067095782 /nfs/dbraw/zinc/09/57/82/1067095782.db2.gz JJOCCBWVRUFXRI-FMCGGJTJSA-N -1 0 536.562 4.857 40 0 KJABRM COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385232 1067096061 /nfs/dbraw/zinc/09/60/61/1067096061.db2.gz KDHFXHKZBITJNC-LSCVHKIXSA-N -1 0 517.321 4.965 40 0 KJABRM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc(OC)c3OCc3cccc(C(=O)[O-])c3)C2=O)o1 ZINC000409385264 1066208010 /nfs/dbraw/zinc/20/80/10/1066208010.db2.gz IUSCTBFPRLEMNR-CIAFOILYSA-N -1 0 523.519 4.589 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000409385296 1067095955 /nfs/dbraw/zinc/09/59/55/1067095955.db2.gz HKUHXGQAHLCPDE-LEWJYISDSA-N -1 0 583.437 4.876 40 0 KJABRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000409385298 1067095799 /nfs/dbraw/zinc/09/57/99/1067095799.db2.gz 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COc1ccc(Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000585265292 1066376893 /nfs/dbraw/zinc/37/68/93/1066376893.db2.gz HIRNZWFRXRDEEW-UHFFFAOYSA-N -1 0 570.715 4.962 40 0 KJABRM COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000585265393 1066377066 /nfs/dbraw/zinc/37/70/66/1066377066.db2.gz KEKBMFOHLOTOFT-UHFFFAOYSA-N -1 0 577.106 4.648 40 0 KJABRM COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000585265402 1066376983 /nfs/dbraw/zinc/37/69/83/1066376983.db2.gz KOMJFGXQMLWGOL-UHFFFAOYSA-N -1 0 607.530 4.714 40 0 KJABRM COc1ccc(Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000585265497 1066469214 /nfs/dbraw/zinc/46/92/14/1066469214.db2.gz NGUQADPGQYIBHH-UHFFFAOYSA-N -1 0 556.688 4.654 40 0 KJABRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(N(C)CCc3ccccc3)nc2COc2ccc(Cl)cc2)cc1 ZINC000585265665 1066377019 /nfs/dbraw/zinc/37/70/19/1066377019.db2.gz OBMRUYLQZCXUDR-UHFFFAOYSA-N -1 0 551.068 4.815 40 0 KJABRM CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000585265671 1066377001 /nfs/dbraw/zinc/37/70/01/1066377001.db2.gz OEWYZOXJDDCOCA-UHFFFAOYSA-N -1 0 557.514 4.769 40 0 KJABRM COc1ccc(Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000585265676 1066377052 /nfs/dbraw/zinc/37/70/52/1066377052.db2.gz OJCHMFZBYHIYFD-UHFFFAOYSA-N -1 0 586.714 4.662 40 0 KJABRM Cc1cccc(Cc2nc(N3CCc4ccccc4C3)ncc2C(=O)[N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000585265685 1066377081 /nfs/dbraw/zinc/37/70/81/1066377081.db2.gz OUBDUOPIGSALIF-UHFFFAOYSA-N -1 0 577.504 4.820 40 0 KJABRM CN(CCc1ccccc1)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)c(CC2CCCC2)n1 ZINC000585265687 1066376842 /nfs/dbraw/zinc/37/68/42/1066376842.db2.gz PCGDSGQTSXWPOE-UHFFFAOYSA-N -1 0 557.514 4.769 40 0 KJABRM COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000585265697 1066376962 /nfs/dbraw/zinc/37/69/62/1066376962.db2.gz PQBLOWWJKVGJLH-UHFFFAOYSA-N -1 0 621.557 4.757 40 0 KJABRM COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000585265732 1066376375 /nfs/dbraw/zinc/37/63/75/1066376375.db2.gz RQXKLDUPEIOOQT-UHFFFAOYSA-N -1 0 577.106 4.648 40 0 KJABRM Cc1cccc(Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000585265737 1066376679 /nfs/dbraw/zinc/37/66/79/1066376679.db2.gz RRMZWLXALKUSBL-UHFFFAOYSA-N -1 0 540.689 4.954 40 0 KJABRM COc1ccc(Cc2nc(N(C)CCc3ccccc3)ncc2C(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000585265741 1066376413 /nfs/dbraw/zinc/37/64/13/1066376413.db2.gz RSDZBDIPKLIKNV-UHFFFAOYSA-N -1 0 595.519 4.636 40 0 KJABRM COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)[N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000585265748 1066376328 /nfs/dbraw/zinc/37/63/28/1066376328.db2.gz SABRUKYYMCZKGF-UHFFFAOYSA-N -1 0 607.530 4.714 40 0 KJABRM CN(CCc1ccccc1)c1ncc(C(=O)[N-]S(=O)(=O)c2cccc(Br)c2)c(CC2CCCC2)n1 ZINC000585265753 1066376664 /nfs/dbraw/zinc/37/66/64/1066376664.db2.gz SGXZNVOWZPOFAM-UHFFFAOYSA-N -1 0 557.514 4.769 40 0 KJABRM COc1cccc(CCc2nc(N(C)CCc3ccccc3)ncc2C(=O)[N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000585265776 1066376556 /nfs/dbraw/zinc/37/65/56/1066376556.db2.gz TYJLIPRUEMPKEH-UHFFFAOYSA-N -1 0 609.546 4.831 40 0 KJABRM CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000585265797 1066209528 /nfs/dbraw/zinc/20/95/28/1066209528.db2.gz UOWZWVZMWUCQGH-UHFFFAOYSA-N -1 0 557.514 4.769 40 0 KJABRM Cc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000585265798 1066376549 /nfs/dbraw/zinc/37/65/49/1066376549.db2.gz UQIIJNPDQOSQDC-UHFFFAOYSA-N -1 0 506.672 4.660 40 0 KJABRM COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000585265819 1066377117 /nfs/dbraw/zinc/37/71/17/1066377117.db2.gz VHVTXLSLTVETDS-UHFFFAOYSA-N -1 0 563.079 4.605 40 0 KJABRM COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)[N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000585265943 1066377514 /nfs/dbraw/zinc/37/75/14/1066377514.db2.gz YXZDGSQSVGIXCD-UHFFFAOYSA-N -1 0 621.557 4.757 40 0 KJABRM CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000585265949 1066377530 /nfs/dbraw/zinc/37/75/30/1066377530.db2.gz ZHRDNKBKICVRGG-UHFFFAOYSA-N -1 0 528.634 4.903 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccccc4Cl)n3)C[C@H]21 ZINC000585266048 1066377341 /nfs/dbraw/zinc/37/73/41/1066377341.db2.gz AQBIDNPNKOQFMH-ATIYNZHBSA-N -1 0 549.071 4.682 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccccc4Cl)n3)C[C@H]21 ZINC000585266049 1066377469 /nfs/dbraw/zinc/37/74/69/1066377469.db2.gz AQBIDNPNKOQFMH-BKMJKUGQSA-N -1 0 549.071 4.682 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccccc4Cl)n3)C[C@@H]21 ZINC000585266050 1066377442 /nfs/dbraw/zinc/37/74/42/1066377442.db2.gz AQBIDNPNKOQFMH-GJZUVCINSA-N -1 0 549.071 4.682 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccccc4Cl)n3)C[C@@H]21 ZINC000585266051 1066377402 /nfs/dbraw/zinc/37/74/02/1066377402.db2.gz AQBIDNPNKOQFMH-NVQXNPDNSA-N -1 0 549.071 4.682 40 0 KJABRM CCCc1ccc(OCc2nc(N3C[C@H]4[C@H](C3)CCCCN4C(=O)Cc3ccccc3OC)ncc2C(=O)[O-])cc1 ZINC000585266076 1066377980 /nfs/dbraw/zinc/37/79/80/1066377980.db2.gz GHNBNILVAMYUIF-CUBQBAPOSA-N -1 0 558.679 4.775 40 0 KJABRM CCCc1ccc(OCc2nc(N3C[C@@H]4CCCCN(C(=O)Cc5ccccc5OC)[C@@H]4C3)ncc2C(=O)[O-])cc1 ZINC000585266077 1066377742 /nfs/dbraw/zinc/37/77/42/1066377742.db2.gz GHNBNILVAMYUIF-RBJSKKJNSA-N -1 0 558.679 4.775 40 0 KJABRM CCCc1ccc(OCc2nc(N3C[C@H]4CCCCN(C(=O)Cc5ccccc5OC)[C@@H]4C3)ncc2C(=O)[O-])cc1 ZINC000585266078 1066378010 /nfs/dbraw/zinc/37/80/10/1066378010.db2.gz GHNBNILVAMYUIF-UFHPHHKVSA-N -1 0 558.679 4.775 40 0 KJABRM CCCc1ccc(OCc2nc(N3C[C@H]4CCCCN(C(=O)Cc5ccccc5OC)[C@H]4C3)ncc2C(=O)[O-])cc1 ZINC000585266079 1066377909 /nfs/dbraw/zinc/37/79/09/1066377909.db2.gz GHNBNILVAMYUIF-YWEHKCAJSA-N -1 0 558.679 4.775 40 0 KJABRM CCc1ccc(CCc2nc(N3C[C@@H]4CCCCN(C(=O)Cc5ccccc5OC)[C@@H]4C3)ncc2C(=O)[O-])cc1 ZINC000585266105 1066378056 /nfs/dbraw/zinc/37/80/56/1066378056.db2.gz JQRRTGITSFMNRR-LBNVMWSVSA-N -1 0 542.680 4.591 40 0 KJABRM CCc1ccc(CCc2nc(N3C[C@H]4CCCCN(C(=O)Cc5ccccc5OC)[C@@H]4C3)ncc2C(=O)[O-])cc1 ZINC000585266106 1066377966 /nfs/dbraw/zinc/37/79/66/1066377966.db2.gz JQRRTGITSFMNRR-LEAFIULHSA-N -1 0 542.680 4.591 40 0 KJABRM CCc1ccc(CCc2nc(N3C[C@H]4[C@H](C3)CCCCN4C(=O)Cc3ccccc3OC)ncc2C(=O)[O-])cc1 ZINC000585266107 1066377770 /nfs/dbraw/zinc/37/77/70/1066377770.db2.gz JQRRTGITSFMNRR-LSYYVWMOSA-N -1 0 542.680 4.591 40 0 KJABRM CCc1ccc(CCc2nc(N3C[C@H]4CCCCN(C(=O)Cc5ccccc5OC)[C@H]4C3)ncc2C(=O)[O-])cc1 ZINC000585266108 1066377996 /nfs/dbraw/zinc/37/79/96/1066377996.db2.gz JQRRTGITSFMNRR-NAKRPHOHSA-N -1 0 542.680 4.591 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)[O-])c(CCc4cccc(Br)c4)n3)C[C@H]21 ZINC000585266119 1066377835 /nfs/dbraw/zinc/37/78/35/1066377835.db2.gz LPMIVLLMZHUJPE-ATIYNZHBSA-N -1 0 593.522 4.791 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCc4cccc(Br)c4)n3)C[C@H]21 ZINC000585266120 1066377940 /nfs/dbraw/zinc/37/79/40/1066377940.db2.gz LPMIVLLMZHUJPE-BKMJKUGQSA-N -1 0 593.522 4.791 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)[O-])c(CCc4cccc(Br)c4)n3)C[C@@H]21 ZINC000585266121 1066377816 /nfs/dbraw/zinc/37/78/16/1066377816.db2.gz LPMIVLLMZHUJPE-GJZUVCINSA-N -1 0 593.522 4.791 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCc4cccc(Br)c4)n3)C[C@@H]21 ZINC000585266122 1066377895 /nfs/dbraw/zinc/37/78/95/1066377895.db2.gz LPMIVLLMZHUJPE-NVQXNPDNSA-N -1 0 593.522 4.791 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccc(Cl)cc4)n3)C[C@H]21 ZINC000585266125 1066377881 /nfs/dbraw/zinc/37/78/81/1066377881.db2.gz MNGFFEHWYPRCNR-ATIYNZHBSA-N -1 0 549.071 4.682 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccc(Cl)cc4)n3)C[C@H]21 ZINC000585266126 1066377785 /nfs/dbraw/zinc/37/77/85/1066377785.db2.gz MNGFFEHWYPRCNR-BKMJKUGQSA-N -1 0 549.071 4.682 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000585266127 1066377957 /nfs/dbraw/zinc/37/79/57/1066377957.db2.gz MNGFFEHWYPRCNR-GJZUVCINSA-N -1 0 549.071 4.682 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCc4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000585266128 1066209252 /nfs/dbraw/zinc/20/92/52/1066209252.db2.gz MNGFFEHWYPRCNR-NVQXNPDNSA-N -1 0 549.071 4.682 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)[O-])c(CCC4CCCCC4)n3)C[C@@H]21 ZINC000585266185 1066376426 /nfs/dbraw/zinc/37/64/26/1066376426.db2.gz VPFFHRWSXWBBLD-BVAGGSTKSA-N -1 0 520.674 4.756 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCC4CCCCC4)n3)C[C@H]21 ZINC000585266186 1066376344 /nfs/dbraw/zinc/37/63/44/1066376344.db2.gz VPFFHRWSXWBBLD-JYFHCDHNSA-N -1 0 520.674 4.756 40 0 KJABRM COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)[O-])c(CCC4CCCCC4)n3)C[C@@H]21 ZINC000585266187 1066376597 /nfs/dbraw/zinc/37/65/97/1066376597.db2.gz VPFFHRWSXWBBLD-OZXSUGGESA-N -1 0 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