smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000044904572 521357242 /nfs/dbraw/zinc/35/72/42/521357242.db2.gz SCFSNLPEEQCFDC-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C3CCCC3)c2)cc1 ZINC000044850020 525602915 /nfs/dbraw/zinc/60/29/15/525602915.db2.gz HIDIKCGXACBPJG-UHFFFAOYSA-N -1 1 406.935 4.464 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2C)c1 ZINC000408543407 557360283 /nfs/dbraw/zinc/36/02/83/557360283.db2.gz DGEHUHVSAVIPFR-UHFFFAOYSA-N -1 1 420.534 4.303 40 0 HIABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000408562514 557461206 /nfs/dbraw/zinc/46/12/06/557461206.db2.gz QLVABHBGVJDTBY-UHFFFAOYSA-N -1 1 403.548 4.486 40 0 HIABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408583295 557487765 /nfs/dbraw/zinc/48/77/65/557487765.db2.gz GXXHFZOHZNBBDC-UHFFFAOYSA-N -1 1 403.548 4.390 40 0 HIABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408588534 557494246 /nfs/dbraw/zinc/49/42/46/557494246.db2.gz GPEVRWPZTLJCLG-UHFFFAOYSA-N -1 1 415.437 4.380 40 0 HIABMM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408596299 557514158 /nfs/dbraw/zinc/51/41/58/557514158.db2.gz RZKBTMVELGMDCD-UHFFFAOYSA-N -1 1 415.437 4.284 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000005204149 557639944 /nfs/dbraw/zinc/63/99/44/557639944.db2.gz WEZIYQSARIHIMC-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000008035315 557770764 /nfs/dbraw/zinc/77/07/64/557770764.db2.gz SDOUIMVCILXWFX-UHFFFAOYSA-N -1 1 406.385 4.157 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)c1 ZINC000008285646 557779946 /nfs/dbraw/zinc/77/99/46/557779946.db2.gz PIABEJBYOZEHDL-MRXNPFEDSA-N -1 1 412.486 4.426 40 0 HIABMM O=C(N[C@H]1CCCc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020050460 558328581 /nfs/dbraw/zinc/32/85/81/558328581.db2.gz DTSJQYAZNNYQEV-QFIPXVFZSA-N -1 1 406.507 4.295 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 ZINC000020610991 558391373 /nfs/dbraw/zinc/39/13/73/558391373.db2.gz LQQNSLHXUNDKEF-UHFFFAOYSA-N -1 1 412.902 4.492 40 0 HIABMM CC(C)Oc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000013671572 558562598 /nfs/dbraw/zinc/56/25/98/558562598.db2.gz QPPKFTJNAHSVPA-UHFFFAOYSA-N -1 1 424.522 4.205 40 0 HIABMM CCCOc1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Br ZINC000028252027 558693755 /nfs/dbraw/zinc/69/37/55/558693755.db2.gz HHAYNWARDCSXBH-UHFFFAOYSA-N -1 1 414.321 4.437 40 0 HIABMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000055651313 558883757 /nfs/dbraw/zinc/88/37/57/558883757.db2.gz BTHNTPIFTODWFM-UHFFFAOYSA-N -1 1 406.935 4.321 40 0 HIABMM CCOc1ccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc1OC ZINC000100146635 559130603 /nfs/dbraw/zinc/13/06/03/559130603.db2.gz HPIVVMABRSDITD-LJQANCHMSA-N -1 1 410.518 4.186 40 0 HIABMM CCOc1ccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc1OC ZINC000100146637 559130609 /nfs/dbraw/zinc/13/06/09/559130609.db2.gz HPIVVMABRSDITD-IBGZPJMESA-N -1 1 410.518 4.186 40 0 HIABMM CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1[O-] ZINC000006613345 559212657 /nfs/dbraw/zinc/21/26/57/559212657.db2.gz OAVINQJPXOBRCF-CLFNKMITSA-N -1 1 407.308 4.155 40 0 HIABMM CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1[O-] ZINC000006613393 559212764 /nfs/dbraw/zinc/21/27/64/559212764.db2.gz OAVINQJPXOBRCF-XVDJGBJWSA-N -1 1 407.308 4.155 40 0 HIABMM Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)c1 ZINC000409170949 560687961 /nfs/dbraw/zinc/68/79/61/560687961.db2.gz XIAVOHMHWFTXAP-CXUHLZMHSA-N -1 1 402.859 4.029 40 0 HIABMM Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010112479 560764062 /nfs/dbraw/zinc/76/40/62/560764062.db2.gz HRASZDNQIRXQRP-QGZVFWFLSA-N -1 1 406.507 4.387 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)c1C ZINC000010112549 560764198 /nfs/dbraw/zinc/76/41/98/560764198.db2.gz RIEOIDZVMGHRLW-HNNXBMFYSA-N -1 1 400.544 4.285 40 0 HIABMM Cc1ccc2c(c1)CCCN2C(=O)CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000014000008 560832140 /nfs/dbraw/zinc/83/21/40/560832140.db2.gz ARYFQPRWGCRAIP-UHFFFAOYSA-N -1 1 419.550 4.049 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000020765608 568458866 /nfs/dbraw/zinc/45/88/66/568458866.db2.gz PFITYOIDQAXDKS-UHFFFAOYSA-N -1 1 406.507 4.389 40 0 HIABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000026114525 568540052 /nfs/dbraw/zinc/54/00/52/568540052.db2.gz RWEVYOZUSGJIDQ-UHFFFAOYSA-N -1 1 404.557 4.008 40 0 HIABMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)CCC2 ZINC000223181198 568540376 /nfs/dbraw/zinc/54/03/76/568540376.db2.gz SCHPIWWACCZGSY-QGZVFWFLSA-N -1 1 420.534 4.467 40 0 HIABMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCC2 ZINC000223191947 568540650 /nfs/dbraw/zinc/54/06/50/568540650.db2.gz IOBSCNGDSCLRAK-KRWDZBQOSA-N -1 1 420.534 4.467 40 0 HIABMM COC(=O)c1ccc(NCc2ccccc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223410505 568547877 /nfs/dbraw/zinc/54/78/77/568547877.db2.gz DVXQUKJZWUCWFQ-UHFFFAOYSA-N -1 1 410.495 4.195 40 0 HIABMM CCc1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)ccc1OC ZINC000223683832 568556114 /nfs/dbraw/zinc/55/61/14/568556114.db2.gz UWSKGKMNDVNSCS-UHFFFAOYSA-N -1 1 404.713 4.474 40 0 HIABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1Cl ZINC000223918895 568562881 /nfs/dbraw/zinc/56/28/81/568562881.db2.gz IUFJYULULZWORP-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OC)cc1 ZINC000223925174 568563109 /nfs/dbraw/zinc/56/31/09/568563109.db2.gz PTKLLKPULUTVPU-JOCHJYFZSA-N -1 1 424.522 4.377 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccc3Cl)c2)c1 ZINC000223948634 568564186 /nfs/dbraw/zinc/56/41/86/568564186.db2.gz ZUTRMPQEKAYSCE-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974507 568565083 /nfs/dbraw/zinc/56/50/83/568565083.db2.gz GGDBYWNGRVHQGF-OHNRDTAOSA-N -1 1 404.919 4.059 40 0 HIABMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224017049 568566533 /nfs/dbraw/zinc/56/65/33/568566533.db2.gz BWBXYLYMNGEWRZ-LLVKDONJSA-N -1 1 401.315 4.323 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 ZINC000224042154 568567347 /nfs/dbraw/zinc/56/73/47/568567347.db2.gz RINCITZCQOQPGL-UHFFFAOYSA-N -1 1 418.421 4.027 40 0 HIABMM CCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224067553 568568426 /nfs/dbraw/zinc/56/84/26/568568426.db2.gz PKGNDWUIYHBTRX-UHFFFAOYSA-N -1 1 401.315 4.324 40 0 HIABMM CCOc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000224081397 568569083 /nfs/dbraw/zinc/56/90/83/568569083.db2.gz CJAHNRVORXSNAR-UHFFFAOYSA-N -1 1 424.522 4.158 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccc(C)c3)c2)cc1 ZINC000224097853 568569769 /nfs/dbraw/zinc/56/97/69/568569769.db2.gz FJIQRYUFPQGDGI-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3F)ccc2C)cc1 ZINC000224100634 568569970 /nfs/dbraw/zinc/56/99/70/568569970.db2.gz GMGWHPIVHKEGEU-UHFFFAOYSA-N -1 1 412.486 4.173 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C)cc3)cc2)c1 ZINC000224543510 568584415 /nfs/dbraw/zinc/58/44/15/568584415.db2.gz YVYLSWKKVPKSCQ-UHFFFAOYSA-N -1 1 424.522 4.376 40 0 HIABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2sc1=O ZINC000225691697 568664874 /nfs/dbraw/zinc/66/48/74/568664874.db2.gz WMLAKPMKONXROI-UHFFFAOYSA-N -1 1 403.312 4.191 40 0 HIABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000225740650 568670266 /nfs/dbraw/zinc/67/02/66/568670266.db2.gz NJEDJBZMVIIDJF-UHFFFAOYSA-N -1 1 414.483 4.051 40 0 HIABMM COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000006368740 569331687 /nfs/dbraw/zinc/33/16/87/569331687.db2.gz FEQPTGGVYZSOHQ-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1OCC ZINC000007361040 569337306 /nfs/dbraw/zinc/33/73/06/569337306.db2.gz WGJQXCHOGNNLTM-UHFFFAOYSA-N -1 1 414.321 4.356 40 0 HIABMM O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000009062188 569342117 /nfs/dbraw/zinc/34/21/17/569342117.db2.gz AGXFMXCAZKZLQI-UHFFFAOYSA-N -1 1 416.462 4.415 40 0 HIABMM Cc1cc(C(=O)NCc2ccccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010328950 569343772 /nfs/dbraw/zinc/34/37/72/569343772.db2.gz BRGQOSNDOCCPPV-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM COc1ccc(C)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010332085 569343865 /nfs/dbraw/zinc/34/38/65/569343865.db2.gz VSPUBBPAKJOPHQ-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3C)c2C)cc1 ZINC000010360701 569344121 /nfs/dbraw/zinc/34/41/21/569344121.db2.gz KOJVUPBUVCEOAV-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1 ZINC000028206975 569350090 /nfs/dbraw/zinc/35/00/90/569350090.db2.gz GGVDDXNJIAUBQL-INIZCTEOSA-N -1 1 422.506 4.087 40 0 HIABMM Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 ZINC000033431954 569350529 /nfs/dbraw/zinc/35/05/29/569350529.db2.gz SOFAEFMYOPUYKO-LICLKQGHSA-N -1 1 420.377 4.049 40 0 HIABMM CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000033718719 569351136 /nfs/dbraw/zinc/35/11/36/569351136.db2.gz ZJQYCMHUUHGECM-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044900793 524628666 /nfs/dbraw/zinc/62/86/66/524628666.db2.gz LOOCBEJJGPSRDA-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)c1 ZINC000000990795 524693605 /nfs/dbraw/zinc/69/36/05/524693605.db2.gz QGRBOHHQRLWIKN-UHFFFAOYSA-N -1 1 406.507 4.389 40 0 HIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)N1CCCCC1 ZINC000408587499 557490852 /nfs/dbraw/zinc/49/08/52/557490852.db2.gz DBGYSUUQWKAPBI-UHFFFAOYSA-N -1 1 411.886 4.298 40 0 HIABMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1 ZINC000408595868 557513715 /nfs/dbraw/zinc/51/37/15/557513715.db2.gz VPWHCZDPUGPZGL-UHFFFAOYSA-N -1 1 405.545 4.227 40 0 HIABMM O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408603076 557523660 /nfs/dbraw/zinc/52/36/60/557523660.db2.gz AOWJDPXBLZXRFV-LJQANCHMSA-N -1 1 421.324 4.357 40 0 HIABMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000008285669 557779971 /nfs/dbraw/zinc/77/99/71/557779971.db2.gz GTKSHFQOONFJNH-CQSZACIVSA-N -1 1 416.449 4.257 40 0 HIABMM CCCc1c(=O)[n-]c(Nc2nc(C)c3cccc(OC)c3n2)nc1-c1ccccc1 ZINC000009936600 557851965 /nfs/dbraw/zinc/85/19/65/557851965.db2.gz AHFLKYNETJYDID-UHFFFAOYSA-N -1 1 401.470 4.393 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)ccc1C ZINC000010112424 557855445 /nfs/dbraw/zinc/85/54/45/557855445.db2.gz WKTJCAWWUJOPPG-UHFFFAOYSA-N -1 1 406.507 4.307 40 0 HIABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc21 ZINC000019936446 558312034 /nfs/dbraw/zinc/31/20/34/558312034.db2.gz DLBWEQRDZYDNFT-UHFFFAOYSA-N -1 1 407.451 4.462 40 0 HIABMM CCOc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020491449 558377929 /nfs/dbraw/zinc/37/79/29/558377929.db2.gz VYVHGAQTLXSZDQ-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020491255 558377944 /nfs/dbraw/zinc/37/79/44/558377944.db2.gz QWJRUOTUERCPMQ-UHFFFAOYSA-N -1 1 400.887 4.071 40 0 HIABMM Cc1ccc(C(=O)NCCCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013670281 558561767 /nfs/dbraw/zinc/56/17/67/558561767.db2.gz VCXNPZVXHBNHLU-UHFFFAOYSA-N -1 1 408.523 4.158 40 0 HIABMM Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013671147 558562355 /nfs/dbraw/zinc/56/23/55/558562355.db2.gz HQGQSVNKKGCZMD-QGZVFWFLSA-N -1 1 406.507 4.387 40 0 HIABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000024637224 558606016 /nfs/dbraw/zinc/60/60/16/558606016.db2.gz RUSBSFZHPACYFN-JOCHJYFZSA-N -1 1 424.522 4.377 40 0 HIABMM CCOc1ccc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000029774250 558720600 /nfs/dbraw/zinc/72/06/00/558720600.db2.gz RBVVTDLJLOPXLT-QGZVFWFLSA-N -1 1 424.522 4.377 40 0 HIABMM CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100622712 558765192 /nfs/dbraw/zinc/76/51/92/558765192.db2.gz UMMITTVSECNVIF-FSSWDIPSSA-N -1 1 416.502 4.460 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)c(Cl)c2)cc1 ZINC000038772288 558815385 /nfs/dbraw/zinc/81/53/85/558815385.db2.gz LROKSOZHIHHCMV-HNNXBMFYSA-N -1 1 406.935 4.321 40 0 HIABMM CN(Cc1ccccc1Cl)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000017918528 558828808 /nfs/dbraw/zinc/82/88/08/558828808.db2.gz QCTFMHQSWDYLBC-UHFFFAOYSA-N -1 1 414.914 4.413 40 0 HIABMM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000013811126 558884435 /nfs/dbraw/zinc/88/44/35/558884435.db2.gz NVIVEEWTUYRTIJ-VJBWXMMDSA-N -1 1 416.452 4.494 40 0 HIABMM Cc1[nH]c2ccc(C(=O)N[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)cc2c1C ZINC000019576825 558932936 /nfs/dbraw/zinc/93/29/36/558932936.db2.gz UMBGYMNDQDNXOV-QFIPXVFZSA-N -1 1 415.497 4.057 40 0 HIABMM Cc1[nH]c2cccc(C(=O)N[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)c2c1C ZINC000019576789 558932983 /nfs/dbraw/zinc/93/29/83/558932983.db2.gz HYHPTRDIQOCQFH-JOCHJYFZSA-N -1 1 415.497 4.057 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000007604455 559254572 /nfs/dbraw/zinc/25/45/72/559254572.db2.gz FFWFPCXSMBPXCR-UHFFFAOYSA-N -1 1 410.898 4.214 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3C)ccc2C)cc1 ZINC000409411654 560721640 /nfs/dbraw/zinc/72/16/40/560721640.db2.gz YQABIHSNYMCWNU-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM COc1ccc(Cl)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008288677 560753568 /nfs/dbraw/zinc/75/35/68/560753568.db2.gz IBJIOMGALUYFPO-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM COc1cccc(CNn2c(=S)[n-]nc2-c2ccncc2)c1OCc1ccccc1 ZINC000008495546 560754953 /nfs/dbraw/zinc/75/49/53/560754953.db2.gz WMNSAHGZLANUPX-UHFFFAOYSA-N -1 1 419.510 4.334 40 0 HIABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000009903924 560760478 /nfs/dbraw/zinc/76/04/78/560760478.db2.gz QGMDSWQVGWJLBB-QGZVFWFLSA-N -1 1 410.495 4.202 40 0 HIABMM CCOc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010112205 560763928 /nfs/dbraw/zinc/76/39/28/560763928.db2.gz UQZAPKHNELUSKP-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM O=C(NCc1ccc(Cl)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010315029 560767497 /nfs/dbraw/zinc/76/74/97/560767497.db2.gz BNCVOYXJLDGPBB-UHFFFAOYSA-N -1 1 400.887 4.071 40 0 HIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2C)c1 ZINC000014154698 560840031 /nfs/dbraw/zinc/84/00/31/560840031.db2.gz ITCOCAZGVRKUHN-UHFFFAOYSA-N -1 1 400.544 4.429 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)c1 ZINC000014400835 560846063 /nfs/dbraw/zinc/84/60/63/560846063.db2.gz FZDQVRMNDSGHFC-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1Br ZINC000019828979 560875978 /nfs/dbraw/zinc/87/59/78/560875978.db2.gz OXSOOHRJOUBONO-UHFFFAOYSA-N -1 1 421.110 4.021 40 0 HIABMM Cc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000195545651 560884428 /nfs/dbraw/zinc/88/44/28/560884428.db2.gz ARYHYIGFTIYRNV-KHYOSLBOSA-N -1 1 400.475 4.086 40 0 HIABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000223265294 568543251 /nfs/dbraw/zinc/54/32/51/568543251.db2.gz MPIUGMUJEXNPPV-UHFFFAOYSA-N -1 1 424.547 4.412 40 0 HIABMM COC(=O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411071 568547922 /nfs/dbraw/zinc/54/79/22/568547922.db2.gz NJHMTULKMNDBHI-UHFFFAOYSA-N -1 1 424.522 4.237 40 0 HIABMM CC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223426204 568548609 /nfs/dbraw/zinc/54/86/09/568548609.db2.gz WMPVRWKDESZSAO-OAHLLOKOSA-N -1 1 420.531 4.272 40 0 HIABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C)c(N4CCCC4=O)c3)ccc2c1 ZINC000223835042 568560323 /nfs/dbraw/zinc/56/03/23/568560323.db2.gz IWWUJHZLMICCPN-UHFFFAOYSA-N -1 1 410.495 4.084 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000223941956 568563876 /nfs/dbraw/zinc/56/38/76/568563876.db2.gz OSOKHXDUROEFRH-MRXNPFEDSA-N -1 1 412.486 4.426 40 0 HIABMM CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000223956468 568564358 /nfs/dbraw/zinc/56/43/58/568564358.db2.gz RLLOLACHRWHFQL-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM Cc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000223956187 568564409 /nfs/dbraw/zinc/56/44/09/568564409.db2.gz ZESODAFIUBEVMC-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000224037266 568567122 /nfs/dbraw/zinc/56/71/22/568567122.db2.gz ZCODGIYKNOIROG-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224064239 568568263 /nfs/dbraw/zinc/56/82/63/568568263.db2.gz DTFAUTSQDWGMRP-LLVKDONJSA-N -1 1 401.315 4.323 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1 ZINC000224082764 568569064 /nfs/dbraw/zinc/56/90/64/568569064.db2.gz DIPVJGKOZGBOOP-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c1 ZINC000028206978 568594858 /nfs/dbraw/zinc/59/48/58/568594858.db2.gz GGVDDXNJIAUBQL-MRXNPFEDSA-N -1 1 422.506 4.087 40 0 HIABMM O=S(=O)([N-]c1ccc(C2N=NC(=S)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000013533972 569004721 /nfs/dbraw/zinc/00/47/21/569004721.db2.gz HHESKUPRDSNTPX-UHFFFAOYSA-N -1 1 422.535 4.083 40 0 HIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010315204 569343608 /nfs/dbraw/zinc/34/36/08/569343608.db2.gz WGGHXMHIBNAIDV-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018087454 569383555 /nfs/dbraw/zinc/38/35/55/569383555.db2.gz MEVRTFYDNMFGDA-VABKMULXSA-N -1 1 414.461 4.055 40 0 HIABMM O=c1c2ccccc2n2c(-c3cc(Cl)ccc3[O-])nnc2n1Cc1ccc(F)cc1 ZINC000009252092 569392146 /nfs/dbraw/zinc/39/21/46/569392146.db2.gz KJIFTDRCANROHB-UHFFFAOYSA-N -1 1 420.831 4.258 40 0 HIABMM CCc1ccc(-n2cnc3nc(N4c5ccccc5C[C@@H]4C)[n-]c(=O)c3c2=S)cc1 ZINC000040385773 523867878 /nfs/dbraw/zinc/86/78/78/523867878.db2.gz NSLQMUOZCYXSDV-AWEZNQCLSA-N -1 1 415.522 4.483 40 0 HIABMM Cc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408548175 557370901 /nfs/dbraw/zinc/37/09/01/557370901.db2.gz QDYGTQQXWMIPBO-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c1 ZINC000408552474 557440925 /nfs/dbraw/zinc/44/09/25/557440925.db2.gz PZOBLXNEBIOCFU-UHFFFAOYSA-N -1 1 400.544 4.475 40 0 HIABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000408605009 557528448 /nfs/dbraw/zinc/52/84/48/557528448.db2.gz JLYQMRYPJJAGPK-UHFFFAOYSA-N -1 1 423.494 4.007 40 0 HIABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000408626770 557559814 /nfs/dbraw/zinc/55/98/14/557559814.db2.gz WUHCZHXKFQCRBM-UHFFFAOYSA-N -1 1 406.813 4.426 40 0 HIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(Cl)cc3)C(=O)[O-])n2)c1 ZINC000408632112 557571326 /nfs/dbraw/zinc/57/13/26/557571326.db2.gz HJGVAGUYHOVPEO-APSNUPSMSA-N -1 1 417.874 4.360 40 0 HIABMM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc([O-])c(Br)c3)S2)cc1 ZINC000006351049 557699887 /nfs/dbraw/zinc/69/98/87/557699887.db2.gz YOGZBNANEHHRQQ-CFINBHSISA-N -1 1 405.317 4.317 40 0 HIABMM CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000006405751 557701612 /nfs/dbraw/zinc/70/16/12/557701612.db2.gz FFKQPTAHXUGTHB-UHFFFAOYSA-N -1 1 414.458 4.278 40 0 HIABMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000008285667 557779978 /nfs/dbraw/zinc/77/99/78/557779978.db2.gz GTKSHFQOONFJNH-AWEZNQCLSA-N -1 1 416.449 4.257 40 0 HIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N1c2ccccc2C[C@H]1C ZINC000010112475 557855393 /nfs/dbraw/zinc/85/53/93/557855393.db2.gz FVXOVEVDBDDTPV-MRXNPFEDSA-N -1 1 406.507 4.387 40 0 HIABMM CN(Cc1ccccc1)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020042935 558326509 /nfs/dbraw/zinc/32/65/09/558326509.db2.gz CTHVNCAAPOWNKE-UHFFFAOYSA-N -1 1 414.914 4.413 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)cc1 ZINC000020485815 558376484 /nfs/dbraw/zinc/37/64/84/558376484.db2.gz JBKQUFDPGLWEOW-UHFFFAOYSA-N -1 1 412.486 4.173 40 0 HIABMM CCOc1ccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000013669101 558560864 /nfs/dbraw/zinc/56/08/64/558560864.db2.gz FJUMBXWWYWALTQ-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)c1 ZINC000015385150 558736787 /nfs/dbraw/zinc/73/67/87/558736787.db2.gz XHIFQAGWECDJTJ-UHFFFAOYSA-N -1 1 400.525 4.130 40 0 HIABMM Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000015386299 558736958 /nfs/dbraw/zinc/73/69/58/558736958.db2.gz PMXSNMPGOVQYGI-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030862957 558742056 /nfs/dbraw/zinc/74/20/56/558742056.db2.gz PDOMWOAOYRBCLT-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100956405 558819805 /nfs/dbraw/zinc/81/98/05/558819805.db2.gz GDTWGVYKXIFMTB-FSSWDIPSSA-N -1 1 402.425 4.185 40 0 HIABMM COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000018076473 558830535 /nfs/dbraw/zinc/83/05/35/558830535.db2.gz NNYGMPTWRBLJCL-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C ZINC000408814063 560645058 /nfs/dbraw/zinc/64/50/58/560645058.db2.gz PTJWPRJAACXMQR-ZSOIEALJSA-N -1 1 404.513 4.273 40 0 HIABMM O=C([O-])[C@@H]1CN[C@@H](c2cn(Cc3ccc(Br)cc3)c3ccccc23)S1 ZINC000408979892 560661423 /nfs/dbraw/zinc/66/14/23/560661423.db2.gz SWHWTDDIQKMZCL-ZWKOTPCHSA-N -1 1 417.328 4.240 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2C)cc1C ZINC000409382551 560717327 /nfs/dbraw/zinc/71/73/27/560717327.db2.gz SWXFELHDFGZFAY-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc(Cl)c1OC ZINC000008253698 560753398 /nfs/dbraw/zinc/75/33/98/560753398.db2.gz JPPFZUZVNBTOBN-UHFFFAOYSA-N -1 1 420.922 4.421 40 0 HIABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008339142 560754344 /nfs/dbraw/zinc/75/43/44/560754344.db2.gz LCZYGTQUKLQVST-UHFFFAOYSA-N -1 1 404.923 4.488 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3)cc2C)cc1 ZINC000010110336 560763593 /nfs/dbraw/zinc/76/35/93/560763593.db2.gz SKMFVQJEBABRDA-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000010112184 560763948 /nfs/dbraw/zinc/76/39/48/560763948.db2.gz IIPDSOBENKAUNR-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000223719105 568557271 /nfs/dbraw/zinc/55/72/71/568557271.db2.gz FLUNINBRTKHFGV-KRWDZBQOSA-N -1 1 424.522 4.295 40 0 HIABMM Cc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223922728 568563075 /nfs/dbraw/zinc/56/30/75/568563075.db2.gz JACOVBXXGGGDBN-UHFFFAOYSA-N -1 1 408.523 4.158 40 0 HIABMM Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223938636 568563707 /nfs/dbraw/zinc/56/37/07/568563707.db2.gz BBRNZMNLKSJWIY-GOSISDBHSA-N -1 1 408.523 4.329 40 0 HIABMM CN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223972620 568564863 /nfs/dbraw/zinc/56/48/63/568564863.db2.gz HKJOZECCKSNETK-UHFFFAOYSA-N -1 1 414.914 4.413 40 0 HIABMM COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000224076902 568568848 /nfs/dbraw/zinc/56/88/48/568568848.db2.gz OPOXGPWBNWIGHN-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM COc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000224082821 568569041 /nfs/dbraw/zinc/56/90/41/568569041.db2.gz IZJGPLYSLUDOKU-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM Cc1cc(C(=O)NCc2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224087555 568569377 /nfs/dbraw/zinc/56/93/77/568569377.db2.gz BNIBRTBSIJLICY-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM O=C(NCc1cccc(F)c1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224096479 568569703 /nfs/dbraw/zinc/56/97/03/568569703.db2.gz IXQXMZKNLHHYQA-UHFFFAOYSA-N -1 1 418.877 4.210 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)c1 ZINC000224574742 568585832 /nfs/dbraw/zinc/58/58/32/568585832.db2.gz FYLRHRZPDZKIMX-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)ccc1Cl ZINC000225201681 568622499 /nfs/dbraw/zinc/62/24/99/568622499.db2.gz ABCAWSPGSQTXLR-UHFFFAOYSA-N -1 1 401.871 4.179 40 0 HIABMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000003014057 568838396 /nfs/dbraw/zinc/83/83/96/568838396.db2.gz CLAMHMBSOSXAOU-UHFFFAOYSA-N -1 1 408.479 4.251 40 0 HIABMM CN1c2ccc(S(=O)(=O)[N-]c3ccc4c5c(cccc53)CC4)c3cccc(c23)C1=O 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NBBRFNCBXLJKAI-UHFFFAOYSA-N -1 1 420.600 4.366 40 0 HIABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)Cc3cccc(OC)c3)n2)s1 ZINC000072375250 522780902 /nfs/dbraw/zinc/78/09/02/522780902.db2.gz ZZOQSFDTKQPOJO-GOSISDBHSA-N -1 1 423.542 4.154 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c(Cl)c2)cc1 ZINC000044900193 525601188 /nfs/dbraw/zinc/60/11/88/525601188.db2.gz KJJSDOIOWXLXHY-MDOVXXIYSA-N -1 1 418.946 4.368 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)NC(C)C ZINC000408586563 557492566 /nfs/dbraw/zinc/49/25/66/557492566.db2.gz ANQQKBIYADRZHL-UHFFFAOYSA-N -1 1 401.315 4.241 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000005184753 557639180 /nfs/dbraw/zinc/63/91/80/557639180.db2.gz XCXVOLJVXBKYOB-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1OCC ZINC000007360967 557739714 /nfs/dbraw/zinc/73/97/14/557739714.db2.gz MUZHUFWGLQJRCJ-UHFFFAOYSA-N -1 1 400.294 4.047 40 0 HIABMM O=C(N[C@@H]1CCCc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008033376 557770782 /nfs/dbraw/zinc/77/07/82/557770782.db2.gz LWQDHHWAGYMGAV-JOCHJYFZSA-N -1 1 406.507 4.295 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)c(Cl)c2)cc1 ZINC000020107415 558333887 /nfs/dbraw/zinc/33/38/87/558333887.db2.gz ASQMIDFNTJHVPR-UHFFFAOYSA-N -1 1 406.935 4.465 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2C)c(C)c1 ZINC000013646061 558556650 /nfs/dbraw/zinc/55/66/50/558556650.db2.gz WGSIZFURRKJAHE-MRXNPFEDSA-N -1 1 400.544 4.285 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCCc3ccccc3)ccc2C)cc1 ZINC000013649580 558558160 /nfs/dbraw/zinc/55/81/60/558558160.db2.gz UNESFPQIVSUTFR-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM O=C(NCc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000023710824 558569885 /nfs/dbraw/zinc/56/98/85/558569885.db2.gz MJZXQWDWELHGBO-UHFFFAOYSA-N -1 1 400.887 4.071 40 0 HIABMM Cn1ncc2nc(-c3cc(C4CC4)nc4c3c(C3CC3)nn4-c3ccccc3)[n-]c(=O)c21 ZINC000036612230 558724989 /nfs/dbraw/zinc/72/49/89/558724989.db2.gz REXQHBINKVYSGY-UHFFFAOYSA-N -1 1 423.480 4.225 40 0 HIABMM O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015340764 558734472 /nfs/dbraw/zinc/73/44/72/558734472.db2.gz BSKIJZVNLGFDCU-UHFFFAOYSA-N -1 1 418.877 4.210 40 0 HIABMM COc1ccccc1[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000015471363 558740819 /nfs/dbraw/zinc/74/08/19/558740819.db2.gz WPZHLYFSPCETPU-QGZVFWFLSA-N -1 1 424.522 4.295 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(F)cc3)c2)c1 ZINC000015477701 558740955 /nfs/dbraw/zinc/74/09/55/558740955.db2.gz QDYSECDCRJGAJT-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000101081933 558826646 /nfs/dbraw/zinc/82/66/46/558826646.db2.gz DYMRJCXFMYYENS-VABKMULXSA-N -1 1 414.461 4.055 40 0 HIABMM Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O ZINC000409156191 560685466 /nfs/dbraw/zinc/68/54/66/560685466.db2.gz 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Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)cc1C ZINC000010112551 560764218 /nfs/dbraw/zinc/76/42/18/560764218.db2.gz MLCIBJYFNDLOAE-HNNXBMFYSA-N -1 1 400.544 4.285 40 0 HIABMM CC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010315212 560767704 /nfs/dbraw/zinc/76/77/04/560767704.db2.gz FNUPFVUTGWQMER-UHFFFAOYSA-N -1 1 423.494 4.007 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)c1 ZINC000014401998 560845242 /nfs/dbraw/zinc/84/52/42/560845242.db2.gz VAZWGDFOTZIPBI-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM Cc1ccc(SCc2cc(=O)c3c([O-])n(-c4nc5ccccc5s4)nc3[nH]2)cc1 ZINC000014607068 560846810 /nfs/dbraw/zinc/84/68/10/560846810.db2.gz OMRBXQBMWOHYCR-UHFFFAOYSA-N -1 1 420.519 4.218 40 0 HIABMM Cc1ccc(SCc2cc([O-])c3c(=O)n(-c4nc5ccccc5s4)nc-3[nH]2)cc1 ZINC000014607068 560846814 /nfs/dbraw/zinc/84/68/14/560846814.db2.gz OMRBXQBMWOHYCR-UHFFFAOYSA-N -1 1 420.519 4.218 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)N1CCCC1 ZINC000026114510 568540057 /nfs/dbraw/zinc/54/00/57/568540057.db2.gz NQMSWIJNEKOFQE-UHFFFAOYSA-N -1 1 404.557 4.062 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c1 ZINC000223376155 568546887 /nfs/dbraw/zinc/54/68/87/568546887.db2.gz WIMSUKPRJAMFEY-UHFFFAOYSA-N -1 1 422.506 4.007 40 0 HIABMM CC(C)OC(=O)c1ccc(NC2CC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223424643 568548696 /nfs/dbraw/zinc/54/86/96/568548696.db2.gz RTOBXKZSTUNVCC-UHFFFAOYSA-N -1 1 408.907 4.280 40 0 HIABMM CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223933365 568563433 /nfs/dbraw/zinc/56/34/33/568563433.db2.gz BXNWPIOQHQKAPN-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223939044 568563678 /nfs/dbraw/zinc/56/36/78/568563678.db2.gz FJRGWCBCMNDMMR-UHFFFAOYSA-N -1 1 408.479 4.251 40 0 HIABMM Cc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223940360 568563694 /nfs/dbraw/zinc/56/36/94/568563694.db2.gz OWVMEDMVEUIJJV-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000224068797 568568469 /nfs/dbraw/zinc/56/84/69/568568469.db2.gz CUXHEVFEPDFNJV-UHFFFAOYSA-N -1 1 422.934 4.212 40 0 HIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC[C@@H](C)c1ccccc1 ZINC000224078756 568568899 /nfs/dbraw/zinc/56/88/99/568568899.db2.gz BZXBJRMRRCNFEH-QGZVFWFLSA-N -1 1 408.523 4.329 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc(C)c3)cc2)cc1 ZINC000224082439 568569101 /nfs/dbraw/zinc/56/91/01/568569101.db2.gz JAQADSWWFACAEA-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000224083094 568569103 /nfs/dbraw/zinc/56/91/03/568569103.db2.gz CJXJSSZYEBWMFT-UHFFFAOYSA-N -1 1 400.525 4.130 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccc(C)c3)c2)cc1 ZINC000224095919 568569570 /nfs/dbraw/zinc/56/95/70/568569570.db2.gz UZIPVRCGCYIYBI-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM CN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224093208 568569634 /nfs/dbraw/zinc/56/96/34/568569634.db2.gz JHLATZMTMJWLQS-UHFFFAOYSA-N -1 1 420.943 4.475 40 0 HIABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc21 ZINC000225005484 568608406 /nfs/dbraw/zinc/60/84/06/568608406.db2.gz HFSRKTUFWWILBX-UHFFFAOYSA-N -1 1 406.507 4.454 40 0 HIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c1 ZINC000006707006 569334472 /nfs/dbraw/zinc/33/44/72/569334472.db2.gz ZNTIEBNMKOCODC-UHFFFAOYSA-N -1 1 400.544 4.475 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)N1CCCCC1 ZINC000008560529 569341777 /nfs/dbraw/zinc/34/17/77/569341777.db2.gz IUXGDUFEAHQKNL-UHFFFAOYSA-N -1 1 422.934 4.084 40 0 HIABMM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010330028 569343788 /nfs/dbraw/zinc/34/37/88/569343788.db2.gz VMNZMQYMTYBLOS-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1 ZINC000015892043 569345082 /nfs/dbraw/zinc/34/50/82/569345082.db2.gz PVHKDSOMDGRLFI-UHFFFAOYSA-N 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CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408594456 557512068 /nfs/dbraw/zinc/51/20/68/557512068.db2.gz SDHFZSGSDXWCMG-UHFFFAOYSA-N -1 1 415.437 4.380 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000005184741 557639118 /nfs/dbraw/zinc/63/91/18/557639118.db2.gz DQCKHFGIFDKKLR-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000006270099 557697206 /nfs/dbraw/zinc/69/72/06/557697206.db2.gz VTRDNXBYIBQEOM-UHFFFAOYSA-N -1 1 410.495 4.122 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](C)c3ccccc3)c2)cc1 ZINC000008033497 557770811 /nfs/dbraw/zinc/77/08/11/557770811.db2.gz KWUXCAJOWGQKFN-SFHVURJKSA-N -1 1 408.523 4.329 40 0 HIABMM Cc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020460819 558372878 /nfs/dbraw/zinc/37/28/78/558372878.db2.gz QDRGOPJXTRODPN-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000020486044 558376444 /nfs/dbraw/zinc/37/64/44/558376444.db2.gz DRNIDHAKMVPIIM-KRWDZBQOSA-N -1 1 424.522 4.295 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1 ZINC000020486383 558376748 /nfs/dbraw/zinc/37/67/48/558376748.db2.gz XGEHVLPAWQTYOW-UHFFFAOYSA-N -1 1 401.875 4.097 40 0 HIABMM COc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cc(C)c(C)cc4n3)n2)cc1OC ZINC000020634009 558395417 /nfs/dbraw/zinc/39/54/17/558395417.db2.gz QIHFAPQZGLNDIJ-UHFFFAOYSA-N -1 1 417.469 4.066 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)cc1 ZINC000013678447 558565381 /nfs/dbraw/zinc/56/53/81/558565381.db2.gz HRAGPEAMRJSGRC-UHFFFAOYSA-N -1 1 424.478 4.085 40 0 HIABMM Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000015386285 558736897 /nfs/dbraw/zinc/73/68/97/558736897.db2.gz KASODYSEDDFCBY-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000031302925 558749335 /nfs/dbraw/zinc/74/93/35/558749335.db2.gz NIRKAEDHPSNDDQ-UHFFFAOYSA-N -1 1 421.522 4.340 40 0 HIABMM CN(C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000038755980 558814663 /nfs/dbraw/zinc/81/46/63/558814663.db2.gz RCQMDEDMLYKGSV-UHFFFAOYSA-N -1 1 400.887 4.417 40 0 HIABMM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000101056077 558825906 /nfs/dbraw/zinc/82/59/06/558825906.db2.gz RMNAEOOPLMGPFF-VABKMULXSA-N -1 1 414.461 4.055 40 0 HIABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(OC)cc1 ZINC000018132208 558831794 /nfs/dbraw/zinc/83/17/94/558831794.db2.gz WPPNTDIYVNOHAU-JOCHJYFZSA-N -1 1 424.522 4.377 40 0 HIABMM Cc1cc2cc(C(=O)N[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)ccc2o1 ZINC000019126460 558844785 /nfs/dbraw/zinc/84/47/85/558844785.db2.gz ABSMKUCUPGVFNE-NRFANRHFSA-N -1 1 402.454 4.426 40 0 HIABMM Cc1c2cc(C)ccc2oc1C(=O)N[C@@H](c1cc(=O)[n-]c(-c2ccccn2)n1)C(C)C ZINC000019220446 558851648 /nfs/dbraw/zinc/85/16/48/558851648.db2.gz GBUXKZXXRJBEIG-OAQYLSRUSA-N -1 1 416.481 4.322 40 0 HIABMM CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000115721515 559188093 /nfs/dbraw/zinc/18/80/93/559188093.db2.gz GXFNRHBTTHCHED-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408883643 560649601 /nfs/dbraw/zinc/64/96/01/560649601.db2.gz VHVRLBCYGGOTFS-IBGZPJMESA-N -1 1 410.495 4.156 40 0 HIABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1cccc(Cl)c1 ZINC000409155830 560685336 /nfs/dbraw/zinc/68/53/36/560685336.db2.gz DFNRFAAVLYKYPG-VIZOYTHASA-N -1 1 423.277 4.374 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000008033266 560753187 /nfs/dbraw/zinc/75/31/87/560753187.db2.gz DUEWQWZSSMGXAD-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2C)cc1 ZINC000010110292 560763627 /nfs/dbraw/zinc/76/36/27/560763627.db2.gz OZKMRZBJJQBBHB-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM Cc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010110807 560763723 /nfs/dbraw/zinc/76/37/23/560763723.db2.gz JSVBENDGXZFWHM-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM CCOc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010112206 560763920 /nfs/dbraw/zinc/76/39/20/560763920.db2.gz HDTGSWVMLPXVGG-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000010112407 560763997 /nfs/dbraw/zinc/76/39/97/560763997.db2.gz ISYASLGJDGELJH-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010112418 560764007 /nfs/dbraw/zinc/76/40/07/560764007.db2.gz PGBQHDOPMAQUNU-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)c1 ZINC000010112553 560764173 /nfs/dbraw/zinc/76/41/73/560764173.db2.gz MNVOAVCFUJFSJI-INIZCTEOSA-N -1 1 400.544 4.285 40 0 HIABMM Cc1nc(Nc2nc(CSc3nc4ccccc4o3)cc(=O)[n-]2)nc2ccccc12 ZINC000010325283 560768169 /nfs/dbraw/zinc/76/81/69/560768169.db2.gz CDVDTRNIIVPYJE-UHFFFAOYSA-N -1 1 416.466 4.199 40 0 HIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000136135680 560853662 /nfs/dbraw/zinc/85/36/62/560853662.db2.gz KKYZGWYOTCYEST-RJGXRXQPSA-N -1 1 414.461 4.055 40 0 HIABMM COc1ccccc1[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223001569 568533929 /nfs/dbraw/zinc/53/39/29/568533929.db2.gz OHUHFIILEKOTCC-QGZVFWFLSA-N -1 1 424.522 4.295 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118149 568541840 /nfs/dbraw/zinc/54/18/40/568541840.db2.gz PBISDJNYWRNJCE-UHFFFAOYSA-N -1 1 404.557 4.081 40 0 HIABMM COC(=O)c1ccc(N(C)Cc2ccccc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223412007 568547866 /nfs/dbraw/zinc/54/78/66/568547866.db2.gz YKZMGVDNAMXUCR-UHFFFAOYSA-N -1 1 424.522 4.219 40 0 HIABMM CC(C)OC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223425215 568548713 /nfs/dbraw/zinc/54/87/13/568548713.db2.gz YCOCHEXCERFTCS-UHFFFAOYSA-N -1 1 422.934 4.306 40 0 HIABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc21 ZINC000223435906 568548890 /nfs/dbraw/zinc/54/88/90/568548890.db2.gz GDONICOQAMVQBC-UHFFFAOYSA-N -1 1 411.310 4.093 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000223941898 568563817 /nfs/dbraw/zinc/56/38/17/568563817.db2.gz OSOKHXDUROEFRH-INIZCTEOSA-N -1 1 412.486 4.426 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000223954563 568564428 /nfs/dbraw/zinc/56/44/28/568564428.db2.gz JJTREAJUHPPXOH-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974458 568565006 /nfs/dbraw/zinc/56/50/06/568565006.db2.gz GGDBYWNGRVHQGF-ZBQZNYHESA-N -1 1 404.919 4.059 40 0 HIABMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224017097 568566554 /nfs/dbraw/zinc/56/65/54/568566554.db2.gz BWBXYLYMNGEWRZ-NSHDSACASA-N -1 1 401.315 4.323 40 0 HIABMM Cc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000224080620 568568931 /nfs/dbraw/zinc/56/89/31/568568931.db2.gz RDERNACIPCPOBJ-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3F)cc2)cc1 ZINC000224082656 568569098 /nfs/dbraw/zinc/56/90/98/568569098.db2.gz DKUYGEMKHWZOMQ-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM Cc1cc(C(=O)N(C)Cc2cccs2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224089137 568569489 /nfs/dbraw/zinc/56/94/89/568569489.db2.gz QLNJLPIIDQYWKP-UHFFFAOYSA-N -1 1 400.525 4.130 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccco3)c(Cl)c2)cc1 ZINC000224094019 568569581 /nfs/dbraw/zinc/56/95/81/568569581.db2.gz FWSDCQSZKIPJAZ-UHFFFAOYSA-N -1 1 418.902 4.314 40 0 HIABMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224269944 568575914 /nfs/dbraw/zinc/57/59/14/568575914.db2.gz PIRCHXISARQNFW-QGZVFWFLSA-N -1 1 424.522 4.295 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)c1 ZINC000224575447 568586059 /nfs/dbraw/zinc/58/60/59/568586059.db2.gz PVEJIJIVSVTKOW-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000224628722 568589242 /nfs/dbraw/zinc/58/92/42/568589242.db2.gz HAGMPWWKBNKGNQ-UHFFFAOYSA-N -1 1 408.545 4.203 40 0 HIABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(OC(C)C)c3)cc2sc1=O ZINC000225730130 568668776 /nfs/dbraw/zinc/66/87/76/568668776.db2.gz HMLQEJMXCCAEGQ-UHFFFAOYSA-N -1 1 406.529 4.061 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 ZINC000225738221 568669653 /nfs/dbraw/zinc/66/96/53/568669653.db2.gz VFJVQUHAVYWHOX-UHFFFAOYSA-N -1 1 410.520 4.221 40 0 HIABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2O)C(=O)[O-])n1 ZINC000007342178 569336963 /nfs/dbraw/zinc/33/69/63/569336963.db2.gz JZIWSFAFIAKWMB-NVNXTCNLSA-N -1 1 403.847 4.057 40 0 HIABMM COc1cccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c1O ZINC000007603327 569337807 /nfs/dbraw/zinc/33/78/07/569337807.db2.gz HERGNXGDOCFOAI-ZROIWOOFSA-N -1 1 403.847 4.057 40 0 HIABMM CCOc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010314798 569343521 /nfs/dbraw/zinc/34/35/21/569343521.db2.gz HDGUWYMDIPBRRW-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010372423 569344322 /nfs/dbraw/zinc/34/43/22/569344322.db2.gz RDYUMUWFXSQKFJ-UHFFFAOYSA-N -1 1 423.494 4.007 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(=O)N1CCCCC1 ZINC000026115648 569349941 /nfs/dbraw/zinc/34/99/41/569349941.db2.gz LAUGLQNQKGEIFO-UHFFFAOYSA-N -1 1 404.557 4.144 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118713 569350014 /nfs/dbraw/zinc/35/00/14/569350014.db2.gz SBLRXJAZRCOISW-UHFFFAOYSA-N -1 1 422.547 4.221 40 0 HIABMM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000017969066 569381799 /nfs/dbraw/zinc/38/17/99/569381799.db2.gz WSIPDBWUZFVXNM-VJBWXMMDSA-N -1 1 414.461 4.055 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000044904868 525598642 /nfs/dbraw/zinc/59/86/42/525598642.db2.gz FIRZAWGOYRIJOB-UHFFFAOYSA-N -1 1 406.935 4.321 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1Cl ZINC000408563619 557451983 /nfs/dbraw/zinc/45/19/83/557451983.db2.gz VVJXDNDCRYQZJF-UHFFFAOYSA-N -1 1 407.923 4.467 40 0 HIABMM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000408562079 557460657 /nfs/dbraw/zinc/46/06/57/557460657.db2.gz XSAMXMDINCFNSC-UHFFFAOYSA-N -1 1 408.676 4.441 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)NCC(C)C ZINC000408583615 557482451 /nfs/dbraw/zinc/48/24/51/557482451.db2.gz IRHDLQSCRQBVAE-UHFFFAOYSA-N -1 1 415.342 4.488 40 0 HIABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1OCC ZINC000408585933 557489735 /nfs/dbraw/zinc/48/97/35/557489735.db2.gz LFONDOOMGNRZNU-UHFFFAOYSA-N -1 1 412.895 4.416 40 0 HIABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1OC ZINC000408698710 557715059 /nfs/dbraw/zinc/71/50/59/557715059.db2.gz RRZMCHBZXYVMGB-UHFFFAOYSA-N -1 1 403.287 4.151 40 0 HIABMM 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ZINC000015389757 558737480 /nfs/dbraw/zinc/73/74/80/558737480.db2.gz HUNVXEXCQDRKRT-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000015985642 558765376 /nfs/dbraw/zinc/76/53/76/558765376.db2.gz VQDOQFGSMVGSCR-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCC3)c(Cl)c2)cc1 ZINC000038752371 558813630 /nfs/dbraw/zinc/81/36/30/558813630.db2.gz GNFGTPBBSFWEFM-UHFFFAOYSA-N -1 1 406.935 4.464 40 0 HIABMM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)(C)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000017145560 558823850 /nfs/dbraw/zinc/82/38/50/558823850.db2.gz SVHPQXIVBVEPAH-BGYRXZFFSA-N -1 1 424.451 4.369 40 0 HIABMM Cc1c2cc(C)ccc2oc1C(=O)N[C@H](c1cc(=O)[n-]c(-c2ccccn2)n1)C(C)C ZINC000019220450 558851685 /nfs/dbraw/zinc/85/16/85/558851685.db2.gz GBUXKZXXRJBEIG-NRFANRHFSA-N -1 1 416.481 4.322 40 0 HIABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2)s1 ZINC000072375292 558963865 /nfs/dbraw/zinc/96/38/65/558963865.db2.gz KAUGYBQNDTVWAD-QGZVFWFLSA-N -1 1 411.506 4.284 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Br ZINC000070140395 559013023 /nfs/dbraw/zinc/01/30/23/559013023.db2.gz FOEYLEOUWCKZJO-UHFFFAOYSA-N -1 1 405.111 4.321 40 0 HIABMM O=C([O-])c1ccc(-c2ccc(Br)cc2NS(=O)(=O)c2ccccc2)o1 ZINC000226353618 559273600 /nfs/dbraw/zinc/27/36/00/559273600.db2.gz FONHVZDGTCVBED-UHFFFAOYSA-N -1 1 422.256 4.208 40 0 HIABMM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000138403240 559282197 /nfs/dbraw/zinc/28/21/97/559282197.db2.gz WXYROHODTVOYQZ-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCc2ccccc21 ZINC000144375632 560544646 /nfs/dbraw/zinc/54/46/46/560544646.db2.gz NATROHQOMBZPJJ-UHFFFAOYSA-N -1 1 412.898 4.344 40 0 HIABMM Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)c1 ZINC000409363079 560715110 /nfs/dbraw/zinc/71/51/10/560715110.db2.gz SXRSBMLAZCYKGJ-RQZCQDPDSA-N -1 1 416.886 4.337 40 0 HIABMM Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000006235026 560740555 /nfs/dbraw/zinc/74/05/55/560740555.db2.gz UOEZJOIVZKGUMC-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCC ZINC000008253913 560753433 /nfs/dbraw/zinc/75/34/33/560753433.db2.gz CYYOJPQDFXLYKY-UHFFFAOYSA-N -1 1 405.911 4.197 40 0 HIABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 ZINC000008810860 560756685 /nfs/dbraw/zinc/75/66/85/560756685.db2.gz SLQCJGGAUMGUKA-UHFFFAOYSA-N -1 1 418.421 4.027 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2C)c1C ZINC000010112550 560764159 /nfs/dbraw/zinc/76/41/59/560764159.db2.gz RIEOIDZVMGHRLW-OAHLLOKOSA-N -1 1 400.544 4.285 40 0 HIABMM CC(=O)c1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010314420 560767334 /nfs/dbraw/zinc/76/73/34/560767334.db2.gz SWJGECOUPVJBQG-UHFFFAOYSA-N -1 1 408.479 4.251 40 0 HIABMM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010315041 560767485 /nfs/dbraw/zinc/76/74/85/560767485.db2.gz CWWSYUXKRPMKKK-UHFFFAOYSA-N -1 1 423.494 4.007 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014398004 560841726 /nfs/dbraw/zinc/84/17/26/560841726.db2.gz JXKSDGJEYOEHBP-UHFFFAOYSA-N -1 1 422.934 4.022 40 0 HIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000020493701 560885159 /nfs/dbraw/zinc/88/51/59/560885159.db2.gz JZVQQQMFXIPRPZ-UHFFFAOYSA-N -1 1 402.335 4.371 40 0 HIABMM CCOc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000006576865 568455968 /nfs/dbraw/zinc/45/59/68/568455968.db2.gz HEPOAYPHPZOHIU-VJBWXMMDSA-N -1 1 414.461 4.136 40 0 HIABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2N1C(=O)c1ccccc1 ZINC000223267397 568543441 /nfs/dbraw/zinc/54/34/41/568543441.db2.gz RANJZVIKQRIFTE-OAHLLOKOSA-N -1 1 410.470 4.218 40 0 HIABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000223271028 568543557 /nfs/dbraw/zinc/54/35/57/568543557.db2.gz QDNHPULYSWJZEL-UHFFFAOYSA-N -1 1 406.813 4.142 40 0 HIABMM COC(=O)c1ccc(NC2CCCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223409958 568547826 /nfs/dbraw/zinc/54/78/26/568547826.db2.gz MUJGPXMZMCNLGL-UHFFFAOYSA-N -1 1 402.516 4.327 40 0 HIABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1Cl ZINC000223664417 568555493 /nfs/dbraw/zinc/55/54/93/568555493.db2.gz PBTGTKHQILAALM-UHFFFAOYSA-N -1 1 409.891 4.031 40 0 HIABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000223835658 568560345 /nfs/dbraw/zinc/56/03/45/568560345.db2.gz ZCJKSSSOADKDJT-UHFFFAOYSA-N -1 1 407.797 4.255 40 0 HIABMM COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000223956730 568564336 /nfs/dbraw/zinc/56/43/36/568564336.db2.gz VIMBDFMAECLFGE-KRWDZBQOSA-N -1 1 424.522 4.295 40 0 HIABMM Cc1cc(C(=O)NCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224001915 568565934 /nfs/dbraw/zinc/56/59/34/568565934.db2.gz KIYSKUQAPHNUKK-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc(C)c3)cc2)cc1 ZINC000224084690 568569221 /nfs/dbraw/zinc/56/92/21/568569221.db2.gz YMBIJDXMDXDRBM-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000224565184 568585508 /nfs/dbraw/zinc/58/55/08/568585508.db2.gz RIMDXIXRKHSPJS-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000028206551 568594521 /nfs/dbraw/zinc/59/45/21/568594521.db2.gz JMBSKXMXSPUWAN-UHFFFAOYSA-N -1 1 406.507 4.307 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c1 ZINC000028206823 568594721 /nfs/dbraw/zinc/59/47/21/568594721.db2.gz VHZOIKRGVORZIC-QGZVFWFLSA-N -1 1 406.507 4.387 40 0 HIABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2sc1=O ZINC000225722357 568668044 /nfs/dbraw/zinc/66/80/44/568668044.db2.gz SOIPVXWZQCYUPF-UHFFFAOYSA-N -1 1 416.446 4.293 40 0 HIABMM Cc1nnc([N-]c2cccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257215291 568780655 /nfs/dbraw/zinc/78/06/55/568780655.db2.gz CPMFFIDNKJJHKB-FQEVSTJZSA-N -1 1 418.526 4.107 40 0 HIABMM O=C([O-])/C=C/N(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000102429876 568937193 /nfs/dbraw/zinc/93/71/93/568937193.db2.gz BWIXUWQSMPZABO-GNNUASRNSA-N -1 1 421.472 4.258 40 0 HIABMM Cc1cccc(N2C(=S)N=NC2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000013533995 569004706 /nfs/dbraw/zinc/00/47/06/569004706.db2.gz YGKBVOCDPSFXFM-UHFFFAOYSA-N -1 1 422.535 4.332 40 0 HIABMM CC(=O)Nc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000010314279 569343334 /nfs/dbraw/zinc/34/33/34/569343334.db2.gz PZSSXLUXYBFIPI-UHFFFAOYSA-N -1 1 423.494 4.007 40 0 HIABMM Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314947 569343541 /nfs/dbraw/zinc/34/35/41/569343541.db2.gz JSXFGSBHJBGSMV-UHFFFAOYSA-N -1 1 402.422 4.326 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2C)cc1 ZINC000010367883 569344271 /nfs/dbraw/zinc/34/42/71/569344271.db2.gz DKVHKGYCVAYOEH-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000015413126 569345010 /nfs/dbraw/zinc/34/50/10/569345010.db2.gz UPTJLPBFVLQBJD-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM Cc1cc(C(=O)N2CCCc3ccccc32)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010112448 132345174 /nfs/dbraw/zinc/34/51/74/132345174.db2.gz DBSFFKPFDLPNPL-UHFFFAOYSA-N -1 1 406.507 4.389 40 0 HIABMM Cc1cccc(-n2c(C)nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c3c2=S)c1 ZINC000040386897 524137212 /nfs/dbraw/zinc/13/72/12/524137212.db2.gz YJGLUDJPXVWPEF-UHFFFAOYSA-N -1 1 415.522 4.018 40 0 HIABMM Cc1nc2nc(N3c4ccccc4C[C@H]3C)[n-]c(=O)c2c(=S)n1-c1ccccc1 ZINC000040386911 527200896 /nfs/dbraw/zinc/20/08/96/527200896.db2.gz SXNORBBLQDULMZ-CYBMUJFWSA-N -1 1 401.495 4.229 40 0 HIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCCC1 ZINC000408563031 557462460 /nfs/dbraw/zinc/46/24/60/557462460.db2.gz SZRLOMYKIPSYHK-UHFFFAOYSA-N -1 1 414.314 4.422 40 0 HIABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000408608121 557531700 /nfs/dbraw/zinc/53/17/00/557531700.db2.gz MSEXFVSOHFOTDY-GKWUYRECSA-N -1 1 424.585 4.262 40 0 HIABMM CSc1ccccc1C(=O)N1CCN([C@H](CCC(=O)[O-])c2ccc(C)cc2)CC1 ZINC000408609044 557532557 /nfs/dbraw/zinc/53/25/57/557532557.db2.gz NPIBYZLAZZDGFU-HXUWFJFHSA-N -1 1 412.555 4.081 40 0 HIABMM COc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000005184725 557639095 /nfs/dbraw/zinc/63/90/95/557639095.db2.gz QKUYYZTVTXJKFU-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000005598760 557664534 /nfs/dbraw/zinc/66/45/34/557664534.db2.gz KZKTYGPNBGSIAM-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2)cc1 ZINC000008033496 557770772 /nfs/dbraw/zinc/77/07/72/557770772.db2.gz KWUXCAJOWGQKFN-GOSISDBHSA-N -1 1 408.523 4.329 40 0 HIABMM COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000008082782 557772260 /nfs/dbraw/zinc/77/22/60/557772260.db2.gz OXLFIZNHTAEZIN-UHFFFAOYSA-N -1 1 414.458 4.196 40 0 HIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020450704 558365501 /nfs/dbraw/zinc/36/55/01/558365501.db2.gz DLDVDKXZPKXBHW-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 ZINC000020452907 558367066 /nfs/dbraw/zinc/36/70/66/558367066.db2.gz CFGOCNOCKNGBBY-MDOVXXIYSA-N -1 1 418.946 4.368 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2)cc1 ZINC000013672401 558562943 /nfs/dbraw/zinc/56/29/43/558562943.db2.gz MPBPECFYPUDFBT-QGZVFWFLSA-N -1 1 406.507 4.387 40 0 HIABMM CCOc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000029774251 558720682 /nfs/dbraw/zinc/72/06/82/558720682.db2.gz RBVVTDLJLOPXLT-KRWDZBQOSA-N -1 1 424.522 4.377 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(F)cc3)c2)cc1 ZINC000015477688 558741018 /nfs/dbraw/zinc/74/10/18/558741018.db2.gz ZKMPKSSQGZNIIC-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM O=C1[N-]C(=S)NC1=Cc1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408778003 560640703 /nfs/dbraw/zinc/64/07/03/560640703.db2.gz NWWGKSYRIFLTJS-GZTJUZNOSA-N -1 1 413.955 4.432 40 0 HIABMM COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000409380444 560718633 /nfs/dbraw/zinc/71/86/33/560718633.db2.gz DOHPIUGETCWEST-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C([O-])=C2ON1c1ccccc1 ZINC000102765616 560731892 /nfs/dbraw/zinc/73/18/92/560731892.db2.gz VKESDKZNHVDEML-BHIFYINESA-N -1 1 402.425 4.185 40 0 HIABMM Fc1ccc(COc2ccccc2CNn2c(=S)[n-]nc2-c2ccncc2)cc1 ZINC000007601823 560751854 /nfs/dbraw/zinc/75/18/54/560751854.db2.gz QTDNMFNEYPBWMJ-UHFFFAOYSA-N -1 1 407.474 4.464 40 0 HIABMM CCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008339374 560754283 /nfs/dbraw/zinc/75/42/83/560754283.db2.gz ZHCXKWVQHFVJCA-UHFFFAOYSA-N -1 1 404.923 4.488 40 0 HIABMM Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000010110756 560763739 /nfs/dbraw/zinc/76/37/39/560763739.db2.gz QHYYIDSIORNFLW-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000010112187 560763868 /nfs/dbraw/zinc/76/38/68/560763868.db2.gz OVWBPLFAMFHDTH-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000010112454 560764018 /nfs/dbraw/zinc/76/40/18/560764018.db2.gz XMMFMQIXBSYXSS-KRWDZBQOSA-N -1 1 406.507 4.387 40 0 HIABMM O=c1cc(CSc2nc3ccccc3s2)[nH]c2nn(-c3ccc(F)cc3)c([O-])c21 ZINC000017093910 560868499 /nfs/dbraw/zinc/86/84/99/560868499.db2.gz DAYZTWUTPOEMQU-UHFFFAOYSA-N -1 1 424.482 4.048 40 0 HIABMM O=c1c2c([O-])cc(CSc3nc4ccccc4s3)[nH]c-2nn1-c1ccc(F)cc1 ZINC000017093910 560868501 /nfs/dbraw/zinc/86/85/01/560868501.db2.gz DAYZTWUTPOEMQU-UHFFFAOYSA-N -1 1 424.482 4.048 40 0 HIABMM COc1ccc(C(=O)N2CCc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc32)cc1 ZINC000222984426 568533253 /nfs/dbraw/zinc/53/32/53/568533253.db2.gz DXCYKRVWQHASPP-UHFFFAOYSA-N -1 1 422.506 4.007 40 0 HIABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Oc3ccccc3)cc1)oc(=O)n2C ZINC000223336832 568545641 /nfs/dbraw/zinc/54/56/41/568545641.db2.gz JBSVXAYASZBYEG-UHFFFAOYSA-N -1 1 410.451 4.033 40 0 HIABMM Cc1cc(C(=O)NCCSC2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000223412222 568547835 /nfs/dbraw/zinc/54/78/35/568547835.db2.gz WZOVPRSMFKBWHB-UHFFFAOYSA-N -1 1 418.584 4.201 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1NC(C)=O ZINC000223779147 568558850 /nfs/dbraw/zinc/55/88/50/568558850.db2.gz HTBJIWLAPRAFNJ-UHFFFAOYSA-N -1 1 420.556 4.489 40 0 HIABMM C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223926299 568563133 /nfs/dbraw/zinc/56/31/33/568563133.db2.gz AMOVTAHPBNBYKM-GOSISDBHSA-N -1 1 408.523 4.239 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000223997244 568565795 /nfs/dbraw/zinc/56/57/95/568565795.db2.gz DKQFXTDCAQNKKU-UHFFFAOYSA-N -1 1 424.547 4.412 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccco3)cc2C)cc1 ZINC000224001523 568565923 /nfs/dbraw/zinc/56/59/23/568565923.db2.gz ZNHJCOKOLIXLEH-UHFFFAOYSA-N -1 1 412.511 4.060 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3F)cc2C)cc1 ZINC000224012011 568566453 /nfs/dbraw/zinc/56/64/53/568566453.db2.gz BRMMMSGBGNKOMA-UHFFFAOYSA-N -1 1 414.458 4.196 40 0 HIABMM Cc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224032793 568567044 /nfs/dbraw/zinc/56/70/44/568567044.db2.gz USZSGBCWORUHNN-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM O=C(NC1CCCC1)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224064577 568568286 /nfs/dbraw/zinc/56/82/86/568568286.db2.gz OVCXTABWAZAGFG-UHFFFAOYSA-N -1 1 413.326 4.467 40 0 HIABMM CN(Cc1cccc(Cl)c1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224074015 568568593 /nfs/dbraw/zinc/56/85/93/568568593.db2.gz DARJXESLGKJRKR-UHFFFAOYSA-N -1 1 414.914 4.413 40 0 HIABMM CCOc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000224074449 568568727 /nfs/dbraw/zinc/56/87/27/568568727.db2.gz VQQRZMXSBHSLHR-UHFFFAOYSA-N -1 1 424.522 4.158 40 0 HIABMM CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000224074520 568568734 /nfs/dbraw/zinc/56/87/34/568568734.db2.gz YZBUHDLGXMLMIW-UHFFFAOYSA-N -1 1 424.522 4.158 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1 ZINC000224086611 568569364 /nfs/dbraw/zinc/56/93/64/568569364.db2.gz HIGJJDTYEVXWIL-UHFFFAOYSA-N -1 1 416.524 4.075 40 0 HIABMM CN(Cc1ccco1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224097395 568569668 /nfs/dbraw/zinc/56/96/68/568569668.db2.gz NSCBJIPCKFYBLF-UHFFFAOYSA-N -1 1 404.875 4.006 40 0 HIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSC1CCCC1 ZINC000224268634 568575947 /nfs/dbraw/zinc/57/59/47/568575947.db2.gz KXTVCPQHUURHMD-UHFFFAOYSA-N -1 1 418.584 4.201 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)c1 ZINC000224551570 568584794 /nfs/dbraw/zinc/58/47/94/568584794.db2.gz NDGXIHBYXLVVQK-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1 ZINC000225090220 568613380 /nfs/dbraw/zinc/61/33/80/568613380.db2.gz XABKJYDZUQYCFT-UHFFFAOYSA-N -1 1 420.446 4.040 40 0 HIABMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)c1 ZINC000225270401 568627070 /nfs/dbraw/zinc/62/70/70/568627070.db2.gz CIDYMPPRTDHGMD-UHFFFAOYSA-N -1 1 423.494 4.356 40 0 HIABMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2sc1=O ZINC000225672189 568662689 /nfs/dbraw/zinc/66/26/89/568662689.db2.gz YURRBXZONSHVCI-UHFFFAOYSA-N -1 1 412.492 4.193 40 0 HIABMM CC(C)(Cc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000225867491 568682232 /nfs/dbraw/zinc/68/22/32/568682232.db2.gz IXEZYKVTQJVZKQ-UHFFFAOYSA-N -1 1 408.523 4.239 40 0 HIABMM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Br)c1[O-] ZINC000065002226 568714252 /nfs/dbraw/zinc/71/42/52/568714252.db2.gz OBQPKYLXMWQRRD-UHFFFAOYSA-N -1 1 407.289 4.007 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2C)c(C)c1 ZINC000006234997 569330228 /nfs/dbraw/zinc/33/02/28/569330228.db2.gz ALAOKGURHIDEIB-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM Cc1nnc(SC(=Cc2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])[nH]1 ZINC000006328708 569331135 /nfs/dbraw/zinc/33/11/35/569331135.db2.gz SSWQJELXXSDCJV-JMIUGGIZSA-N -1 1 415.478 4.206 40 0 HIABMM Cc1nc(SC(=Cc2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000006328708 569331136 /nfs/dbraw/zinc/33/11/36/569331136.db2.gz SSWQJELXXSDCJV-JMIUGGIZSA-N -1 1 415.478 4.206 40 0 HIABMM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000010000205 569342702 /nfs/dbraw/zinc/34/27/02/569342702.db2.gz KDWMCJWHZWQMIB-LFIBNONCSA-N -1 1 422.506 4.456 40 0 HIABMM COc1ccc(C)cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010332558 569343844 /nfs/dbraw/zinc/34/38/44/569343844.db2.gz NHJMCUOJNWJQCF-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000017824766 569366154 /nfs/dbraw/zinc/36/61/54/569366154.db2.gz BTBCIESDFHRXTQ-VABKMULXSA-N -1 1 414.461 4.055 40 0 HIABMM CC(C)(C)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000041105652 519013994 /nfs/dbraw/zinc/01/39/94/519013994.db2.gz HXHJGNBJAMHIME-UHFFFAOYSA-N -1 1 412.305 4.246 40 0 HIABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225738511 521910870 /nfs/dbraw/zinc/91/08/70/521910870.db2.gz WVJFRBXUPFPSPF-UHFFFAOYSA-N -1 1 424.547 4.475 40 0 HIABMM Cc1nc2nc(N3CCCC3)[n-]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000040386963 527201520 /nfs/dbraw/zinc/20/15/20/527201520.db2.gz FGLNIMXQPCNVPB-UHFFFAOYSA-N -1 1 408.314 4.466 40 0 HIABMM O=S(=O)([N-]c1ccc(-c2nnc(SCc3ccccn3)o2)cc1)c1ccccc1 ZINC000034791448 557017792 /nfs/dbraw/zinc/01/77/92/557017792.db2.gz FOQRNNQPMVNHAB-UHFFFAOYSA-N -1 1 424.507 4.225 40 0 HIABMM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408591093 557503111 /nfs/dbraw/zinc/50/31/11/557503111.db2.gz IJSRYCDTFANXLP-UHFFFAOYSA-N -1 1 415.437 4.284 40 0 HIABMM CSc1ccccc1C(=O)N1CCN([C@@H](CCC(=O)[O-])c2ccc(C)cc2)CC1 ZINC000408609039 557532234 /nfs/dbraw/zinc/53/22/34/557532234.db2.gz NPIBYZLAZZDGFU-FQEVSTJZSA-N -1 1 412.555 4.081 40 0 HIABMM COc1ccc(OC)c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c1 ZINC000408632674 557573376 /nfs/dbraw/zinc/57/33/76/557573376.db2.gz GTLYVUPXVNGXIA-YBEGLDIGSA-N -1 1 417.874 4.360 40 0 HIABMM COc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(OC)c1 ZINC000408635363 557599579 /nfs/dbraw/zinc/59/95/79/557599579.db2.gz ZZJCEECIGMHKSJ-SXGWCWSVSA-N -1 1 417.874 4.360 40 0 HIABMM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006269936 557697261 /nfs/dbraw/zinc/69/72/61/557697261.db2.gz IGTNOUPCXZMNGT-LFIBNONCSA-N -1 1 408.479 4.148 40 0 HIABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1OC ZINC000408698892 557715722 /nfs/dbraw/zinc/71/57/22/557715722.db2.gz SQYDVECHIFRZQF-UHFFFAOYSA-N -1 1 403.287 4.151 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2C)c1C ZINC000020461095 558373124 /nfs/dbraw/zinc/37/31/24/558373124.db2.gz FDVTVGXVJLEYQZ-UHFFFAOYSA-N -1 1 400.544 4.427 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COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000223985496 568565268 /nfs/dbraw/zinc/56/52/68/568565268.db2.gz WPSAXXGEAWSLPZ-KRWDZBQOSA-N -1 1 424.522 4.295 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2C)cc1 ZINC000224012794 568566449 /nfs/dbraw/zinc/56/64/49/568566449.db2.gz MUXNMRMRURGNSR-UHFFFAOYSA-N -1 1 414.458 4.196 40 0 HIABMM Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224051498 568567788 /nfs/dbraw/zinc/56/77/88/568567788.db2.gz VAMDMVYDDFRDCL-MDOVXXIYSA-N -1 1 418.946 4.368 40 0 HIABMM Cc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000224078103 568568991 /nfs/dbraw/zinc/56/89/91/568568991.db2.gz TYNCADJEVXVRDX-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM CN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224084230 568569193 /nfs/dbraw/zinc/56/91/93/568569193.db2.gz HMQMAKYVWFLGST-UHFFFAOYSA-N -1 1 420.943 4.475 40 0 HIABMM Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224098535 568569690 /nfs/dbraw/zinc/56/96/90/568569690.db2.gz XLVFEQMBGMYBBG-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM O=C(NCc1cccc(F)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224103208 568570066 /nfs/dbraw/zinc/57/00/66/568570066.db2.gz HAOBWPOOSBWKLR-UHFFFAOYSA-N -1 1 418.877 4.210 40 0 HIABMM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1C ZINC000224575083 568586066 /nfs/dbraw/zinc/58/60/66/568586066.db2.gz HDGRRGIIDWJBEN-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000009062211 569342080 /nfs/dbraw/zinc/34/20/80/569342080.db2.gz ZMPDIYAZTRUNEH-UHFFFAOYSA-N -1 1 416.462 4.415 40 0 HIABMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010330269 569343770 /nfs/dbraw/zinc/34/37/70/569343770.db2.gz CFHLPFXJLASJNA-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010360019 569344089 /nfs/dbraw/zinc/34/40/89/569344089.db2.gz AESYEXSMWGZGDY-UHFFFAOYSA-N -1 1 424.522 4.043 40 0 HIABMM Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010365721 569344179 /nfs/dbraw/zinc/34/41/79/569344179.db2.gz XUIZFFVHNPZDDP-UHFFFAOYSA-N -1 1 402.422 4.326 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)c1 ZINC000017301883 569345112 /nfs/dbraw/zinc/34/51/12/569345112.db2.gz SRXRHVMTJPHWCY-UHFFFAOYSA-N -1 1 424.478 4.085 40 0 HIABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000028206559 569350039 /nfs/dbraw/zinc/35/00/39/569350039.db2.gz MTCINCIZXGLGKX-UHFFFAOYSA-N -1 1 406.507 4.253 40 0 HIABMM CC(C)=CCc1c([O-])ccc2c1O[C@H](c1ccc3c(c1)[C@@H](O)[C@H](O)C(C)(C)O3)CC2=O ZINC000096932914 291261267 /nfs/dbraw/zinc/26/12/67/291261267.db2.gz ZSSSKVOYMPIHSQ-ZDXQCDESSA-N -1 1 424.493 4.173 40 0 biogenic,in-vitro HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000020571841 525079443 /nfs/dbraw/zinc/07/94/43/525079443.db2.gz QLWFWTFIKVOJSW-UHFFFAOYSA-N -1 1 418.421 4.027 40 0 HIABMM Cc1ccc(-n2cnc3nc(N4c5ccccc5C[C@H]4C)[n-]c(=O)c3c2=S)cc1 ZINC000040385764 525921363 /nfs/dbraw/zinc/92/13/63/525921363.db2.gz XIKOXNQGYWVMRW-CQSZACIVSA-N -1 1 401.495 4.229 40 0 HIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCCC1 ZINC000408561376 557459675 /nfs/dbraw/zinc/45/96/75/557459675.db2.gz INBLULHKGNJNMB-UHFFFAOYSA-N -1 1 414.314 4.422 40 0 HIABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000408598349 557508652 /nfs/dbraw/zinc/50/86/52/557508652.db2.gz ZGDFNLBLANBYAI-UHFFFAOYSA-N -1 1 400.544 4.157 40 0 HIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c[nH]c4ccccc34)C(=O)[O-])n2)c1 ZINC000408633503 557587277 /nfs/dbraw/zinc/58/72/77/557587277.db2.gz NOJKVZUVBKQREX-NVMNQCDNSA-N -1 1 422.466 4.188 40 0 HIABMM O=C([O-])C(=Cc1ccc2c(c1)OCCO2)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634433 557604905 /nfs/dbraw/zinc/60/49/05/557604905.db2.gz RCYWKOHAZMNUPM-YBEGLDIGSA-N -1 1 415.858 4.114 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000005598762 557664564 /nfs/dbraw/zinc/66/45/64/557664564.db2.gz JRFQPGLIUXLBTR-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)c1 ZINC000008284733 557780049 /nfs/dbraw/zinc/78/00/49/557780049.db2.gz SJOFPWVSXKFJKV-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000009199688 557828990 /nfs/dbraw/zinc/82/89/90/557828990.db2.gz OOWVOGCOIAPGOP-UHFFFAOYSA-N -1 1 424.526 4.127 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(C)c3)cc2C)cc1 ZINC000010112405 557855408 /nfs/dbraw/zinc/85/54/08/557855408.db2.gz XELDRWYDCMIQHB-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2oc1=O ZINC000019936794 558312324 /nfs/dbraw/zinc/31/23/24/558312324.db2.gz VEQJUHPHHCEULV-UHFFFAOYSA-N -1 1 410.451 4.208 40 0 HIABMM Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000020036386 558324944 /nfs/dbraw/zinc/32/49/44/558324944.db2.gz OEBPBQOGRNSRMY-INIZCTEOSA-N -1 1 412.486 4.426 40 0 HIABMM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020036548 558324956 /nfs/dbraw/zinc/32/49/56/558324956.db2.gz ZXWKGYLBKJLGQK-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020046949 558327658 /nfs/dbraw/zinc/32/76/58/558327658.db2.gz KLFMPVVWESFEJU-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000020486041 558376393 /nfs/dbraw/zinc/37/63/93/558376393.db2.gz DRNIDHAKMVPIIM-QGZVFWFLSA-N -1 1 424.522 4.295 40 0 HIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000022512352 558493163 /nfs/dbraw/zinc/49/31/63/558493163.db2.gz GTBFTZZIVNOURH-UHFFFAOYSA-N -1 1 418.696 4.080 40 0 HIABMM Cc1ccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000013612970 558548997 /nfs/dbraw/zinc/54/89/97/558548997.db2.gz LEYSATOERKRRNM-UHFFFAOYSA-N -1 1 408.523 4.158 40 0 HIABMM Cc1cccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000013646984 558557061 /nfs/dbraw/zinc/55/70/61/558557061.db2.gz WSGPZXFDGAJIIH-UHFFFAOYSA-N -1 1 408.523 4.158 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000013669640 558561292 /nfs/dbraw/zinc/56/12/92/558561292.db2.gz YURXZTKEXDUJPD-KRWDZBQOSA-N -1 1 406.507 4.387 40 0 HIABMM Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000013669980 558561567 /nfs/dbraw/zinc/56/15/67/558561567.db2.gz DXRVSAKGLXAMEZ-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)cc1 ZINC000015383533 558736418 /nfs/dbraw/zinc/73/64/18/558736418.db2.gz JKZDEDFINVJNBC-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1 ZINC000055648210 558883875 /nfs/dbraw/zinc/88/38/75/558883875.db2.gz DLUHOWNIWRPTPB-UHFFFAOYSA-N -1 1 410.495 4.067 40 0 HIABMM Cc1[nH]c2c(cccc2C(=O)N[C@@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C(C)C)c1C ZINC000019576928 558932994 /nfs/dbraw/zinc/93/29/94/558932994.db2.gz RRUKAVCAOUTXHM-OAQYLSRUSA-N -1 1 415.497 4.057 40 0 HIABMM Cc1nc(SCc2nc(C(c3ccccc3)c3ccccc3)no2)[n-]c(=O)c1C ZINC000005045334 560623926 /nfs/dbraw/zinc/62/39/26/560623926.db2.gz GSRREYZFIHTTAZ-UHFFFAOYSA-N -1 1 404.495 4.242 40 0 HIABMM COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc([O-])c(Br)c2)S1 ZINC000408806807 560642712 /nfs/dbraw/zinc/64/27/12/560642712.db2.gz BVDJGQUEAYKZDB-UHFFFAOYSA-N -1 1 420.308 4.235 40 0 HIABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000408922030 560654473 /nfs/dbraw/zinc/65/44/73/560654473.db2.gz OIUINVUYPXUWLR-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000006269790 560740814 /nfs/dbraw/zinc/74/08/14/560740814.db2.gz FVEAVQXFDIHDSJ-CXUHLZMHSA-N -1 1 408.479 4.148 40 0 HIABMM CCCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1F ZINC000007601307 560751667 /nfs/dbraw/zinc/75/16/67/560751667.db2.gz APNVEPNHSPGZHM-UHFFFAOYSA-N -1 1 402.495 4.364 40 0 HIABMM CCCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007601308 560751700 /nfs/dbraw/zinc/75/17/00/560751700.db2.gz MZBRUPOVBIBWDX-UHFFFAOYSA-N -1 1 402.495 4.364 40 0 HIABMM CCOc1c(Cl)cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc1OC ZINC000008253401 560753416 /nfs/dbraw/zinc/75/34/16/560753416.db2.gz HNOGXIJNRHBADJ-UHFFFAOYSA-N -1 1 420.922 4.421 40 0 HIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F)c1ccccc1F ZINC000008810665 560756416 /nfs/dbraw/zinc/75/64/16/560756416.db2.gz YBJNRRRDUQVJMQ-UHFFFAOYSA-N -1 1 406.385 4.157 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3ccccc3)c2C)cc1 ZINC000010110333 560763607 /nfs/dbraw/zinc/76/36/07/560763607.db2.gz HRNOZXUGXGKHGZ-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000216321592 568464323 /nfs/dbraw/zinc/46/43/23/568464323.db2.gz HXZIFOZKIUQTSY-QGZVFWFLSA-N -1 1 424.522 4.456 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000222874568 568529249 /nfs/dbraw/zinc/52/92/49/568529249.db2.gz AMNMAOGIQZONMV-UHFFFAOYSA-N -1 1 422.550 4.353 40 0 HIABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCCC4)cc3)ccc2c1 ZINC000223074749 568536545 /nfs/dbraw/zinc/53/65/45/568536545.db2.gz MIXXFXMPXUALTF-UHFFFAOYSA-N -1 1 424.522 4.275 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1OC ZINC000223645239 568554722 /nfs/dbraw/zinc/55/47/22/568554722.db2.gz DKKITYCCCCWWLC-UHFFFAOYSA-N -1 1 413.495 4.126 40 0 HIABMM CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223926697 568563187 /nfs/dbraw/zinc/56/31/87/568563187.db2.gz GKXOEFBVTKCIDV-UHFFFAOYSA-N -1 1 424.522 4.205 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000224037493 568567271 /nfs/dbraw/zinc/56/72/71/568567271.db2.gz QUWVNMDELPZVEF-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM CCC(CC)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224072805 568568614 /nfs/dbraw/zinc/56/86/14/568568614.db2.gz OYEGURHFJJRJMR-UHFFFAOYSA-N -1 1 410.923 4.068 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000224561192 568585150 /nfs/dbraw/zinc/58/51/50/568585150.db2.gz IHXGPFUEWZLUNK-QGZVFWFLSA-N -1 1 410.495 4.202 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(C)=O ZINC000225086415 568613210 /nfs/dbraw/zinc/61/32/10/568613210.db2.gz YECZVRVJZVAKGX-UHFFFAOYSA-N -1 1 405.328 4.475 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(C)=O ZINC000225643608 568659715 /nfs/dbraw/zinc/65/97/15/568659715.db2.gz NUIDQDOFIFNXRE-UHFFFAOYSA-N -1 1 405.328 4.475 40 0 HIABMM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000225708929 568666571 /nfs/dbraw/zinc/66/65/71/568666571.db2.gz ZFMYYROAXUCCHN-UHFFFAOYSA-N -1 1 416.446 4.464 40 0 HIABMM Cc1nnc([N-]c2cccc([C@@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257201473 568776609 /nfs/dbraw/zinc/77/66/09/568776609.db2.gz AHVJWJKHHNVEPE-FQEVSTJZSA-N -1 1 420.542 4.050 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000008405089 569340235 /nfs/dbraw/zinc/34/02/35/569340235.db2.gz KMLOWQZVAMENRK-UHFFFAOYSA-N 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CC(C)=CCc1c([O-])ccc2c1O[C@H](c1ccc3c(c1)[C@H](O)[C@@H](O)C(C)(C)O3)CC2=O ZINC000096932915 291261273 /nfs/dbraw/zinc/26/12/73/291261273.db2.gz ZSSSKVOYMPIHSQ-WPFOTENUSA-N -1 1 424.493 4.173 40 0 biogenic,in-vitro HIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1 ZINC000000990964 525271154 /nfs/dbraw/zinc/27/11/54/525271154.db2.gz RUVUJSDYANEBBI-UHFFFAOYSA-N -1 1 406.507 4.389 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2C)cc1C ZINC000408547698 557370548 /nfs/dbraw/zinc/37/05/48/557370548.db2.gz LMTDIGLHPAKVRP-UHFFFAOYSA-N -1 1 400.544 4.285 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N1CCCC1 ZINC000408588091 557491676 /nfs/dbraw/zinc/49/16/76/557491676.db2.gz CDBSREBKPMZQTE-UHFFFAOYSA-N -1 1 400.544 4.464 40 0 HIABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000408604758 557527437 /nfs/dbraw/zinc/52/74/37/557527437.db2.gz DZARSBMJOWLEFN-HXUWFJFHSA-N -1 1 400.906 4.012 40 0 HIABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000408623794 557551319 /nfs/dbraw/zinc/55/13/19/557551319.db2.gz PUGHOEVDLQTHEP-UHFFFAOYSA-N -1 1 400.544 4.293 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000005598764 557664517 /nfs/dbraw/zinc/66/45/17/557664517.db2.gz LVOJBUDHCLASRR-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Br)cc1 ZINC000408713399 557750020 /nfs/dbraw/zinc/75/00/20/557750020.db2.gz WYPYGPKOBHBMIX-UHFFFAOYSA-N -1 1 412.696 4.293 40 0 HIABMM O=C(c1cc2cc([N-]S(=O)(=O)c3ccccc3)ccc2s1)N1CCCCC1 ZINC000408713468 557750337 /nfs/dbraw/zinc/75/03/37/557750337.db2.gz ZXWNXXKWDHXTKW-UHFFFAOYSA-N -1 1 400.525 4.328 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccccc3F)c2)cc1 ZINC000008244443 557777412 /nfs/dbraw/zinc/77/74/12/557777412.db2.gz VNLMIVCCRFAZOL-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM COc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010336786 557861243 /nfs/dbraw/zinc/86/12/43/557861243.db2.gz DHDPDVOCBCXLTI-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM COCCc1c(C)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[n-]c1=O ZINC000020634944 558395651 /nfs/dbraw/zinc/39/56/51/558395651.db2.gz BRMUMUYKNYBIAZ-UHFFFAOYSA-N -1 1 421.888 4.274 40 0 HIABMM COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000015354777 558735395 /nfs/dbraw/zinc/73/53/95/558735395.db2.gz BMEARTNGVWUGOD-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCC[C@H](C)C3)c2)cc1 ZINC000030851930 558740129 /nfs/dbraw/zinc/74/01/29/558740129.db2.gz NFJYUBWSVCEJCZ-HNNXBMFYSA-N -1 1 406.935 4.321 40 0 HIABMM Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000038753690 558814025 /nfs/dbraw/zinc/81/40/25/558814025.db2.gz VOUVUJAIHZWESN-MRXNPFEDSA-N -1 1 412.486 4.426 40 0 HIABMM O=C(C1CCC1)N1CCC[C@@H](c2ccnc([N-]c3ncccc3C(F)(F)F)n2)C1 ZINC000072377862 558967192 /nfs/dbraw/zinc/96/71/92/558967192.db2.gz FXCFNIMNZIVNSA-CQSZACIVSA-N -1 1 405.424 4.140 40 0 HIABMM Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CCC(=O)[O-])C=C3C)[nH]c2c1 ZINC000072320921 560077068 /nfs/dbraw/zinc/07/70/68/560077068.db2.gz UNEXLHASNFZPAF-FHWLQOOXSA-N -1 1 411.546 4.249 40 0 biogenic,in-vitro HIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2cccs2)C1C(=O)OCC ZINC000408866702 560648497 /nfs/dbraw/zinc/64/84/97/560648497.db2.gz IDWKWUMOIDPRFN-KRWDZBQOSA-N -1 1 416.524 4.217 40 0 HIABMM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000409408739 560722624 /nfs/dbraw/zinc/72/26/24/560722624.db2.gz DOJKLUGBGMUOTJ-UHFFFAOYSA-N -1 1 423.494 4.007 40 0 HIABMM CC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000005184708 560737062 /nfs/dbraw/zinc/73/70/62/560737062.db2.gz DRNDOVTYVGNLTF-UHFFFAOYSA-N -1 1 408.479 4.251 40 0 HIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c1 ZINC000006213986 560740350 /nfs/dbraw/zinc/74/03/50/560740350.db2.gz MIVUWTUMGWKIFK-UHFFFAOYSA-N -1 1 400.544 4.475 40 0 HIABMM Fc1ccccc1COc1ccc(Br)cc1CNn1cn[n-]c1=S ZINC000007602577 560751862 /nfs/dbraw/zinc/75/18/62/560751862.db2.gz AJJWTPMSQRUUAU-UHFFFAOYSA-N -1 1 409.284 4.165 40 0 HIABMM O=c1cc(CSc2ccc(Cl)cc2)[nH]c2nn(-c3ccc(F)cc3)c([O-])c21 ZINC000008020779 560753065 /nfs/dbraw/zinc/75/30/65/560753065.db2.gz JQAXAUSNYVNXFK-UHFFFAOYSA-N -1 1 401.850 4.092 40 0 HIABMM O=c1c2c([O-])cc(CSc3ccc(Cl)cc3)[nH]c-2nn1-c1ccc(F)cc1 ZINC000008020779 560753067 /nfs/dbraw/zinc/75/30/67/560753067.db2.gz JQAXAUSNYVNXFK-UHFFFAOYSA-N -1 1 401.850 4.092 40 0 HIABMM COC(=O)c1ccc(-c2ccc(CNn3c(=S)[n-]nc3-c3ccccc3)o2)cc1 ZINC000008378282 560754518 /nfs/dbraw/zinc/75/45/18/560754518.db2.gz UWWBLXLUITYZNS-UHFFFAOYSA-N -1 1 406.467 4.398 40 0 HIABMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314339 560767245 /nfs/dbraw/zinc/76/72/45/560767245.db2.gz RYIKCCKYYPEHCY-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc21 ZINC000223121550 568538405 /nfs/dbraw/zinc/53/84/05/568538405.db2.gz GVQPQBCGFPHUTC-UHFFFAOYSA-N -1 1 418.518 4.454 40 0 HIABMM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000223627366 568553876 /nfs/dbraw/zinc/55/38/76/568553876.db2.gz BONCWKHPQPLIOR-UHFFFAOYSA-N -1 1 405.907 4.133 40 0 HIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1Cl ZINC000223666195 568555463 /nfs/dbraw/zinc/55/54/63/568555463.db2.gz UKTSMCGSZDIIGB-UHFFFAOYSA-N -1 1 423.918 4.421 40 0 HIABMM CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223940662 568563722 /nfs/dbraw/zinc/56/37/22/568563722.db2.gz CLKDCBPKWCUYDB-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223942919 568563878 /nfs/dbraw/zinc/56/38/78/568563878.db2.gz PZKDPHGXQKJBMQ-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)cc2C)cc1 ZINC000224011281 568566201 /nfs/dbraw/zinc/56/62/01/568566201.db2.gz GMVSRWYNETTWHJ-UHFFFAOYSA-N -1 1 424.522 4.043 40 0 HIABMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000224024227 568566801 /nfs/dbraw/zinc/56/68/01/568566801.db2.gz XWKADKYOWLDHAZ-UHFFFAOYSA-N -1 1 410.923 4.069 40 0 HIABMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224030156 568566898 /nfs/dbraw/zinc/56/68/98/568566898.db2.gz LIERAJQIEWPJNJ-IQUTYRLHSA-N -1 1 404.919 4.059 40 0 HIABMM Cc1ccc(C(=O)NCc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224048539 568567704 /nfs/dbraw/zinc/56/77/04/568567704.db2.gz FBTNBUAUQQLIHB-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCCc3ccco3)ccc2C)cc1 ZINC000224047741 568567756 /nfs/dbraw/zinc/56/77/56/568567756.db2.gz PJGJYOPZYDFMDS-UHFFFAOYSA-N -1 1 412.511 4.060 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000224076762 568568804 /nfs/dbraw/zinc/56/88/04/568568804.db2.gz RIYWYLDYCZGUME-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM Cc1cccc(CN(C)C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224099369 568569854 /nfs/dbraw/zinc/56/98/54/568569854.db2.gz AEXUPITUBUGCEY-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000224540949 568584291 /nfs/dbraw/zinc/58/42/91/568584291.db2.gz ISKCKPCBPUISJI-UHFFFAOYSA-N -1 1 410.495 4.067 40 0 HIABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000224569600 568585779 /nfs/dbraw/zinc/58/57/79/568585779.db2.gz ZZAYQMMPSBFKTO-UHFFFAOYSA-N -1 1 424.522 4.430 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1NC(C)=O ZINC000224896173 568602844 /nfs/dbraw/zinc/60/28/44/568602844.db2.gz BADMJCBTYRQLPN-UHFFFAOYSA-N -1 1 420.434 4.066 40 0 HIABMM CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225713734 568666870 /nfs/dbraw/zinc/66/68/70/568666870.db2.gz JWCGWMAKFXBGFD-UHFFFAOYSA-N -1 1 406.529 4.232 40 0 HIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2C)c1 ZINC000006024041 569329291 /nfs/dbraw/zinc/32/92/91/569329291.db2.gz FOGVZYXZTTWPEO-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM Cc1nnc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[O-])[nH]1 ZINC000006588289 569333541 /nfs/dbraw/zinc/33/35/41/569333541.db2.gz FSFOVRDJZWURBI-AUWJEWJLSA-N -1 1 406.807 4.153 40 0 HIABMM Cc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[O-])n[nH]1 ZINC000006588289 569333543 /nfs/dbraw/zinc/33/35/43/569333543.db2.gz FSFOVRDJZWURBI-AUWJEWJLSA-N -1 1 406.807 4.153 40 0 HIABMM C#CCOc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000007603322 569337833 /nfs/dbraw/zinc/33/78/33/569337833.db2.gz JFLFJMRTAHKTAT-ATVHPVEESA-N -1 1 411.870 4.355 40 0 HIABMM N#CCOc1cccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c1 ZINC000007603320 569337850 /nfs/dbraw/zinc/33/78/50/569337850.db2.gz NLJWGKMCOMPKDT-WJDWOHSUSA-N -1 1 412.858 4.245 40 0 HIABMM CC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010314814 569343494 /nfs/dbraw/zinc/34/34/94/569343494.db2.gz SJPJDYNWVAYUIY-UHFFFAOYSA-N -1 1 423.494 4.007 40 0 HIABMM O=C(NCCSC1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314921 569343550 /nfs/dbraw/zinc/34/35/50/569343550.db2.gz XKNYEMPVADJDGB-UHFFFAOYSA-N -1 1 418.584 4.283 40 0 HIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 ZINC000028206556 569350043 /nfs/dbraw/zinc/35/00/43/569350043.db2.gz WAFVEVDZWHYWEK-UHFFFAOYSA-N -1 1 406.507 4.307 40 0 HIABMM CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000002792967 132257944 /nfs/dbraw/zinc/25/79/44/132257944.db2.gz DPALDSKMRWFZOR-CQSZACIVSA-N -1 1 410.524 4.052 40 0 HIABMM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000044840172 525315418 /nfs/dbraw/zinc/31/54/18/525315418.db2.gz VPIYLKKTIZMYNE-KRWDZBQOSA-N -1 1 424.522 4.295 40 0 HIABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1OC ZINC000408586153 557489955 /nfs/dbraw/zinc/48/99/55/557489955.db2.gz MDEJEZKUCJJUKK-UHFFFAOYSA-N -1 1 419.286 4.371 40 0 HIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccccc1 ZINC000408597335 557516664 /nfs/dbraw/zinc/51/66/64/557516664.db2.gz YPZVACXXPFNWNO-UHFFFAOYSA-N -1 1 416.886 4.158 40 0 HIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000408608283 557531979 /nfs/dbraw/zinc/53/19/79/557531979.db2.gz OWVRZVOSXPDHPI-UHFFFAOYSA-N -1 1 408.479 4.251 40 0 HIABMM Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408618031 557534787 /nfs/dbraw/zinc/53/47/87/557534787.db2.gz IXABGFXGLRIBKM-UHFFFAOYSA-N -1 1 424.566 4.494 40 0 HIABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N(C)C)o2)C(=O)[O-])n1 ZINC000408633333 557586128 /nfs/dbraw/zinc/58/61/28/557586128.db2.gz XTLWYNPNMZPHBY-ZROIWOOFSA-N -1 1 420.878 4.011 40 0 HIABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)CC ZINC000408697881 557714583 /nfs/dbraw/zinc/71/45/83/557714583.db2.gz MFEJOJJZXUKPHP-UHFFFAOYSA-N -1 1 400.859 4.027 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1 ZINC000008033269 557770484 /nfs/dbraw/zinc/77/04/84/557770484.db2.gz PJSBQDYDDTVLMD-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM Cc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000010110507 557855138 /nfs/dbraw/zinc/85/51/38/557855138.db2.gz CQYBINIXADVPCS-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCc3ccccc3)ccc2C)cc1 ZINC000010336304 557861131 /nfs/dbraw/zinc/86/11/31/557861131.db2.gz FORIEHYGFYWAKG-UHFFFAOYSA-N -1 1 408.523 4.077 40 0 HIABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1Cl ZINC000020048096 558327825 /nfs/dbraw/zinc/32/78/25/558327825.db2.gz YWWNQFVPQBVRNB-UHFFFAOYSA-N -1 1 418.696 4.080 40 0 HIABMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000020450362 558365348 /nfs/dbraw/zinc/36/53/48/558365348.db2.gz LSCSSAYHHANEOZ-UHFFFAOYSA-N -1 1 408.523 4.376 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)c(C)c1 ZINC000013646064 558556665 /nfs/dbraw/zinc/55/66/65/558556665.db2.gz WGSIZFURRKJAHE-INIZCTEOSA-N -1 1 400.544 4.285 40 0 HIABMM Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015686485 558748999 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40 0 HIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000408583298 557487991 /nfs/dbraw/zinc/48/79/91/557487991.db2.gz HBVOFBAEQNEDMQ-UHFFFAOYSA-N -1 1 415.515 4.098 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000408594931 557512568 /nfs/dbraw/zinc/51/25/68/557512568.db2.gz PXTGEHXLJDDEGY-UHFFFAOYSA-N -1 1 413.326 4.339 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCC1 ZINC000408603439 557523913 /nfs/dbraw/zinc/52/39/13/557523913.db2.gz JYCOVJLCOUDSPL-UHFFFAOYSA-N -1 1 412.433 4.051 40 0 HIABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1C ZINC000408603488 557524107 /nfs/dbraw/zinc/52/41/07/557524107.db2.gz KKLYSTPFHLQNFF-UHFFFAOYSA-N -1 1 401.315 4.242 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1Br ZINC000408604753 557527424 /nfs/dbraw/zinc/52/74/24/557527424.db2.gz IBXYCAMEZAPDLE-UHFFFAOYSA-N -1 1 400.294 4.046 40 0 HIABMM O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(Br)o1 ZINC000035586397 557774252 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558740456 /nfs/dbraw/zinc/74/04/56/558740456.db2.gz CEWXOOPOYGEVLP-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM CC(C)(C)CC(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019082780 558840428 /nfs/dbraw/zinc/84/04/28/558840428.db2.gz HDHQBRZVRMTTHM-LJQANCHMSA-N -1 1 408.477 4.220 40 0 HIABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2)s1 ZINC000072375291 558963840 /nfs/dbraw/zinc/96/38/40/558963840.db2.gz KAUGYBQNDTVWAD-KRWDZBQOSA-N -1 1 411.506 4.284 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Br ZINC000006315969 560741620 /nfs/dbraw/zinc/74/16/20/560741620.db2.gz TVDAUPMXWRVLSB-UHFFFAOYSA-N -1 1 410.211 4.277 40 0 HIABMM Cc1nnc(SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])[nH]1 ZINC000006588294 560744937 /nfs/dbraw/zinc/74/49/37/560744937.db2.gz MYSQHSXWHNNYDN-ZSOIEALJSA-N -1 1 406.261 4.353 40 0 HIABMM Cc1nc(SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])n[nH]1 ZINC000006588294 560744939 /nfs/dbraw/zinc/74/49/39/560744939.db2.gz MYSQHSXWHNNYDN-ZSOIEALJSA-N -1 1 406.261 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CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000223981387 568565161 /nfs/dbraw/zinc/56/51/61/568565161.db2.gz BKWSWDFTTRGGEY-UHFFFAOYSA-N -1 1 410.495 4.311 40 0 HIABMM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223980711 568565187 /nfs/dbraw/zinc/56/51/87/568565187.db2.gz RVRDQAYXDPOFDT-UHFFFAOYSA-N -1 1 410.495 4.311 40 0 HIABMM O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224030217 568566924 /nfs/dbraw/zinc/56/69/24/568566924.db2.gz LIERAJQIEWPJNJ-KSMMKXTCSA-N -1 1 404.919 4.059 40 0 HIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC[C@H](C)c1ccccc1 ZINC000224078807 568568915 /nfs/dbraw/zinc/56/89/15/568568915.db2.gz BZXBJRMRRCNFEH-KRWDZBQOSA-N -1 1 408.523 4.329 40 0 HIABMM O=C(NCC1=CCCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398080 568580202 /nfs/dbraw/zinc/58/02/02/568580202.db2.gz UYAKKAIKTMMISP-UHFFFAOYSA-N -1 1 404.919 4.371 40 0 HIABMM O=C(NCC1CCCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224399913 568580365 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557855601 /nfs/dbraw/zinc/85/56/01/557855601.db2.gz LKVUCSYGPRZRKK-UHFFFAOYSA-N -1 1 406.507 4.307 40 0 HIABMM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010330607 557860613 /nfs/dbraw/zinc/86/06/13/557860613.db2.gz FRSKMBRQKIGZHE-UHFFFAOYSA-N -1 1 402.422 4.326 40 0 HIABMM Cc1ccccc1CNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020045777 558327362 /nfs/dbraw/zinc/32/73/62/558327362.db2.gz OIBRXRLPHGGHRK-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM COc1ccccc1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000012147754 558338396 /nfs/dbraw/zinc/33/83/96/558338396.db2.gz MAIUQPIUJNRGEO-UHFFFAOYSA-N -1 1 408.479 4.048 40 0 HIABMM CC1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)C1 ZINC000020456596 558370007 /nfs/dbraw/zinc/37/00/07/558370007.db2.gz LOOQXMAZCSCZCG-UHFFFAOYSA-N -1 1 406.935 4.403 40 0 HIABMM O=C(NCc1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020495455 558380381 /nfs/dbraw/zinc/38/03/81/558380381.db2.gz VRWBTOBYBKFGOP-UHFFFAOYSA-N -1 1 400.887 4.071 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560654845 /nfs/dbraw/zinc/65/48/45/560654845.db2.gz FYJANMYIBMWBLR-UHFFFAOYSA-N -1 1 400.887 4.322 40 0 HIABMM CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)cc1 ZINC000409177066 560687304 /nfs/dbraw/zinc/68/73/04/560687304.db2.gz CAKOVAHWUXLMQL-LICLKQGHSA-N -1 1 416.886 4.283 40 0 HIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1 ZINC000008810694 560756525 /nfs/dbraw/zinc/75/65/25/560756525.db2.gz KEDVXNYFJOAWMQ-UHFFFAOYSA-N -1 1 418.421 4.027 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C)c3)ccc2C)cc1 ZINC000010112390 560763986 /nfs/dbraw/zinc/76/39/86/560763986.db2.gz FJJBOCVJJRTHDO-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM O=c1c2c([O-])cc(-c3ccc4ccccc4c3)[nH]c-2nn1-c1nc2ccccc2s1 ZINC000010152727 560764804 /nfs/dbraw/zinc/76/48/04/560764804.db2.gz SEDABQZLLPEGJN-UHFFFAOYSA-N -1 1 410.458 4.437 40 0 HIABMM CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101228676 568502167 /nfs/dbraw/zinc/50/21/67/568502167.db2.gz JFIYDXQRDDANTE-VJBWXMMDSA-N -1 1 414.461 4.136 40 0 HIABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OCC)c(Cl)c3)cc2)CC1 ZINC000223010504 568534270 /nfs/dbraw/zinc/53/42/70/568534270.db2.gz KPRHRBRJNMQDFI-UHFFFAOYSA-N -1 1 423.918 4.134 40 0 HIABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000026115128 568540363 /nfs/dbraw/zinc/54/03/63/568540363.db2.gz PQHFCJRSNPXJGS-UHFFFAOYSA-N -1 1 418.584 4.316 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1NC(=O)C(C)C ZINC000223410103 568547840 /nfs/dbraw/zinc/54/78/40/568547840.db2.gz KAMMFUAPYWYFRT-UHFFFAOYSA-N -1 1 400.472 4.082 40 0 HIABMM O=C(N[C@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223924231 568562996 /nfs/dbraw/zinc/56/29/96/568562996.db2.gz GSPAJDZZGDTVEA-QFIPXVFZSA-N -1 1 406.507 4.295 40 0 HIABMM CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223929968 568563258 /nfs/dbraw/zinc/56/32/58/568563258.db2.gz IROMMASRELBOSD-UHFFFAOYSA-N -1 1 414.914 4.413 40 0 HIABMM COCc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223939574 568563711 /nfs/dbraw/zinc/56/37/11/568563711.db2.gz ZIBMFQFQYOYWCC-UHFFFAOYSA-N -1 1 410.495 4.195 40 0 HIABMM CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000223966816 568564759 /nfs/dbraw/zinc/56/47/59/568564759.db2.gz FZZRHZZYQXBXTJ-UHFFFAOYSA-N -1 1 414.458 4.278 40 0 HIABMM O=C(NC1CCCCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223968179 568564778 /nfs/dbraw/zinc/56/47/78/568564778.db2.gz YSRFCRIQQLOXMG-UHFFFAOYSA-N -1 1 404.507 4.469 40 0 HIABMM Cc1cc(C(=O)N(C)Cc2ccco2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224091398 568569505 /nfs/dbraw/zinc/56/95/05/568569505.db2.gz YCLKKFJPTWPQLT-UHFFFAOYSA-N -1 1 418.902 4.314 40 0 HIABMM O=C(NCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224092304 568569640 /nfs/dbraw/zinc/56/96/40/568569640.db2.gz AUNNQPRVXJCFBH-UHFFFAOYSA-N -1 1 418.877 4.210 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)c1 ZINC000224568924 568585514 /nfs/dbraw/zinc/58/55/14/568585514.db2.gz PEOQKLXILMQXTP-UHFFFAOYSA-N -1 1 410.495 4.122 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206822 568594646 /nfs/dbraw/zinc/59/46/46/568594646.db2.gz LPDVVJJRUOMCGV-KRWDZBQOSA-N -1 1 406.507 4.387 40 0 HIABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)c(C)c3)ccc2c1 ZINC000225087895 568613513 /nfs/dbraw/zinc/61/35/13/568613513.db2.gz INUHYOLXTFCENM-UHFFFAOYSA-N -1 1 410.495 4.084 40 0 HIABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2sc1=O ZINC000225125414 568615845 /nfs/dbraw/zinc/61/58/45/568615845.db2.gz DSAVUCLRRHAQQJ-UHFFFAOYSA-N -1 1 414.508 4.046 40 0 HIABMM CCCN(CCC)C(=O)COc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000575410948 569024966 /nfs/dbraw/zinc/02/49/66/569024966.db2.gz PPEQOCVTVRNNJI-UHFFFAOYSA-N -1 1 409.486 4.038 40 0 HIABMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1Cl ZINC000007604461 569337909 /nfs/dbraw/zinc/33/79/09/569337909.db2.gz ZGMLGEMSQJVNIW-UHFFFAOYSA-N -1 1 422.934 4.084 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026119567 569350020 /nfs/dbraw/zinc/35/00/20/569350020.db2.gz NQGJPGGNQNGZKG-UHFFFAOYSA-N -1 1 404.557 4.226 40 0 HIABMM O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000168262983 569355363 /nfs/dbraw/zinc/35/53/63/569355363.db2.gz BMOKBVDHEAKIEA-QHCPKHFHSA-N -1 1 402.494 4.204 40 0 HIABMM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000011582452 569398593 /nfs/dbraw/zinc/39/85/93/569398593.db2.gz UMMITTVSECNVIF-FKBYEOEOSA-N -1 1 416.502 4.460 40 0 HIABMM CC(C)=CCc1c([O-])ccc2c1O[C@H](c1ccc3c(c1)[C@H](O)[C@H](O)C(C)(C)O3)CC2=O ZINC000096932913 291261260 /nfs/dbraw/zinc/26/12/60/291261260.db2.gz ZSSSKVOYMPIHSQ-FIXSFTCYSA-N -1 1 424.493 4.173 40 0 biogenic,in-vitro HIABMM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000020107603 521255933 /nfs/dbraw/zinc/25/59/33/521255933.db2.gz JBBOPEIWUOISOU-KRWDZBQOSA-N -1 1 424.522 4.377 40 0 HIABMM CCOc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000044900137 521357621 /nfs/dbraw/zinc/35/76/21/521357621.db2.gz FJASWPWRIRDDNY-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000408585002 557488225 /nfs/dbraw/zinc/48/82/25/557488225.db2.gz AECUIHPAIQXXLF-UHFFFAOYSA-N -1 1 411.907 4.496 40 0 HIABMM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000005204138 557639949 /nfs/dbraw/zinc/63/99/49/557639949.db2.gz PFWAZUOXCKDKDP-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM COc1cccc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2)c1 ZINC000012117127 558328850 /nfs/dbraw/zinc/32/88/50/558328850.db2.gz VGMSTOBYNMRAJN-UHFFFAOYSA-N -1 1 408.479 4.048 40 0 HIABMM CC(C)Oc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000020105464 558333302 /nfs/dbraw/zinc/33/33/02/558333302.db2.gz WKNQWGLSNZXZOQ-UHFFFAOYSA-N -1 1 424.522 4.205 40 0 HIABMM COc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000012147747 558338388 /nfs/dbraw/zinc/33/83/88/558338388.db2.gz XDTKPUVWLHTYNV-UHFFFAOYSA-N -1 1 408.479 4.048 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 ZINC000020452905 558367178 /nfs/dbraw/zinc/36/71/78/558367178.db2.gz CFGOCNOCKNGBBY-BXTJHSDWSA-N -1 1 418.946 4.368 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)c1 ZINC000020461732 558373293 /nfs/dbraw/zinc/37/32/93/558373293.db2.gz JUIAYTQRYOYNJV-UHFFFAOYSA-N -1 1 412.486 4.173 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4ccccc43)ccc2C)cc1 ZINC000013670023 558561574 /nfs/dbraw/zinc/56/15/74/558561574.db2.gz BBEWRNDHSHXMLN-UHFFFAOYSA-N -1 1 406.507 4.307 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2C)c1 ZINC000013669892 558561603 /nfs/dbraw/zinc/56/16/03/558561603.db2.gz BWYKNMOWRRVDRR-UHFFFAOYSA-N -1 1 422.550 4.467 40 0 HIABMM CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000030012959 558725988 /nfs/dbraw/zinc/72/59/88/558725988.db2.gz APEWFMSLEKACNQ-UHFFFAOYSA-N -1 1 410.495 4.447 40 0 HIABMM COc1ccccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000015381685 558736520 /nfs/dbraw/zinc/73/65/20/558736520.db2.gz RTQRIOZJVPDQNP-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)cc1 ZINC000015383487 558736545 /nfs/dbraw/zinc/73/65/45/558736545.db2.gz UJIDIIWFYGCKAU-UHFFFAOYSA-N -1 1 412.486 4.207 40 0 HIABMM O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000017335215 558827108 /nfs/dbraw/zinc/82/71/08/558827108.db2.gz MWBDQJDAXCGDQY-UHFFFAOYSA-N -1 1 402.491 4.247 40 0 HIABMM Cc1c2ccccc2oc1C(=O)N[C@@H](c1cc(=O)[n-]c(-c2ccccn2)n1)C(C)C ZINC000019566264 558926056 /nfs/dbraw/zinc/92/60/56/558926056.db2.gz YVEYPFGKIZPBPW-HXUWFJFHSA-N -1 1 402.454 4.014 40 0 HIABMM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)(C)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000100429881 559135290 /nfs/dbraw/zinc/13/52/90/559135290.db2.gz SVHPQXIVBVEPAH-WOJBJXKFSA-N -1 1 424.451 4.369 40 0 HIABMM CC1=C[C@@H](CNC(=O)CCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320926 560077202 /nfs/dbraw/zinc/07/72/02/560077202.db2.gz WWVIWQQMQIFPHS-BQFCYCMXSA-N -1 1 415.509 4.080 40 0 biogenic,in-vitro HIABMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(C)s2)no1 ZINC000006680186 560633755 /nfs/dbraw/zinc/63/37/55/560633755.db2.gz JPIXPDQXAMURQO-UHFFFAOYSA-N -1 1 405.501 4.023 40 0 HIABMM Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409410930 560721464 /nfs/dbraw/zinc/72/14/64/560721464.db2.gz ARDAAKMPZJDEKJ-UHFFFAOYSA-N -1 1 402.422 4.326 40 0 HIABMM Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000006213914 560740344 /nfs/dbraw/zinc/74/03/44/560740344.db2.gz OATIYODRADKQOB-UHFFFAOYSA-N -1 1 408.523 4.343 40 0 HIABMM CCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008339389 560754354 /nfs/dbraw/zinc/75/43/54/560754354.db2.gz QBRLNEHGVHIATN-UHFFFAOYSA-N -1 1 404.923 4.488 40 0 HIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1F)c1ccccc1F ZINC000008810666 560756451 /nfs/dbraw/zinc/75/64/51/560756451.db2.gz OZMJFWQKCLGGKP-UHFFFAOYSA-N -1 1 406.385 4.157 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 ZINC000008810816 560756499 /nfs/dbraw/zinc/75/64/99/560756499.db2.gz LPBKBSHPKLDZKE-UHFFFAOYSA-N -1 1 402.422 4.326 40 0 HIABMM Cc1cc(C)c2nc(Nc3nc(CSc4ccccn4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939039 560760792 /nfs/dbraw/zinc/76/07/92/560760792.db2.gz KUSMEIZJQPGYAL-UHFFFAOYSA-N -1 1 404.499 4.069 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000010112436 560764041 /nfs/dbraw/zinc/76/40/41/560764041.db2.gz ZNILAIHWQHFCEP-UHFFFAOYSA-N -1 1 406.507 4.389 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000010315104 560767528 /nfs/dbraw/zinc/76/75/28/560767528.db2.gz ZBVSRZRENGCCJX-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2C)c1 ZINC000017357579 560868949 /nfs/dbraw/zinc/86/89/49/560868949.db2.gz QOKSBRFZVIYRNW-UHFFFAOYSA-N -1 1 408.523 4.077 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCC(C)C)cc1 ZINC000223421117 568548558 /nfs/dbraw/zinc/54/85/58/568548558.db2.gz YOCUEJLYKWRRBY-UHFFFAOYSA-N -1 1 404.532 4.429 40 0 HIABMM CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223941163 568563874 /nfs/dbraw/zinc/56/38/74/568563874.db2.gz BLNAUFXFGJBXOH-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000223985879 568565348 /nfs/dbraw/zinc/56/53/48/568565348.db2.gz PPEJWLWMVNIYST-JOCHJYFZSA-N -1 1 424.522 4.377 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)cc1 ZINC000223987325 568565447 /nfs/dbraw/zinc/56/54/47/568565447.db2.gz WAGWPCNVXOIRQO-KRWDZBQOSA-N -1 1 424.522 4.295 40 0 HIABMM Cc1cc(C(=O)N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224003957 568565909 /nfs/dbraw/zinc/56/59/09/568565909.db2.gz XVMCNXQETXTTTE-UHFFFAOYSA-N -1 1 406.935 4.465 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2C)cc1 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COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 ZINC000008810859 560756683 /nfs/dbraw/zinc/75/66/83/560756683.db2.gz GNQAPAZHXPPJOY-UHFFFAOYSA-N -1 1 418.421 4.027 40 0 HIABMM Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000010112455 560764059 /nfs/dbraw/zinc/76/40/59/560764059.db2.gz XMMFMQIXBSYXSS-QGZVFWFLSA-N -1 1 406.507 4.387 40 0 HIABMM Cc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccccc1F ZINC000022112375 568475709 /nfs/dbraw/zinc/47/57/09/568475709.db2.gz KMNXFBLDRPZSTP-UHFFFAOYSA-N -1 1 423.311 4.473 40 0 HIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)N1CCCC1 ZINC000026114517 568540059 /nfs/dbraw/zinc/54/00/59/568540059.db2.gz ONOZKWSIMFOUEX-UHFFFAOYSA-N -1 1 404.557 4.062 40 0 HIABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2oc1=O ZINC000223354877 568546208 /nfs/dbraw/zinc/54/62/08/568546208.db2.gz JAODLNNBQWKGPK-UHFFFAOYSA-N -1 1 401.271 4.030 40 0 HIABMM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000223627444 568553902 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557577195 /nfs/dbraw/zinc/57/71/95/557577195.db2.gz HYNKQNKFIXBCNZ-SXGWCWSVSA-N -1 1 417.874 4.360 40 0 HIABMM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010360292 557861697 /nfs/dbraw/zinc/86/16/97/557861697.db2.gz ZYZYTGJQUBMNBW-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM O=C(NCc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020456842 558370213 /nfs/dbraw/zinc/37/02/13/558370213.db2.gz MRPQNHNPZHDXEG-UHFFFAOYSA-N -1 1 418.877 4.210 40 0 HIABMM COc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020494208 558379530 /nfs/dbraw/zinc/37/95/30/558379530.db2.gz GALQTHZSWMWMMO-UHFFFAOYSA-N -1 1 416.886 4.402 40 0 HIABMM CCOc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000022533632 558497644 /nfs/dbraw/zinc/49/76/44/558497644.db2.gz YNCAYQFEYXJBJJ-UHFFFAOYSA-N -1 1 424.522 4.125 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000022533618 558497696 /nfs/dbraw/zinc/49/76/96/558497696.db2.gz PJEGXOIVJQWBJI-INIZCTEOSA-N -1 1 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569333278 /nfs/dbraw/zinc/33/32/78/569333278.db2.gz VVBVPEZFDVQXNM-ZSOIEALJSA-N -1 1 406.261 4.353 40 0 HIABMM Cc1nc(SC(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)[O-])n[nH]1 ZINC000006525890 569333280 /nfs/dbraw/zinc/33/32/80/569333280.db2.gz VVBVPEZFDVQXNM-ZSOIEALJSA-N -1 1 406.261 4.353 40 0 HIABMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 ZINC000007360399 569337200 /nfs/dbraw/zinc/33/72/00/569337200.db2.gz LGFPLBSKPSIQET-UHFFFAOYSA-N -1 1 404.557 4.144 40 0 HIABMM CC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000010314623 569343476 /nfs/dbraw/zinc/34/34/76/569343476.db2.gz GJFNORFEZPYINO-UHFFFAOYSA-N -1 1 408.479 4.251 40 0 HIABMM COc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010315258 569343589 /nfs/dbraw/zinc/34/35/89/569343589.db2.gz SBRWVBPCWBSKPZ-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010330626 569343801 /nfs/dbraw/zinc/34/38/01/569343801.db2.gz BGQJTZZKHIIRJL-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206888 569350097 /nfs/dbraw/zinc/35/00/97/569350097.db2.gz HRBCEJLBNGPKEY-OAHLLOKOSA-N -1 1 410.470 4.218 40 0 HIABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccc(Cl)c1 ZINC000214297187 569356271 /nfs/dbraw/zinc/35/62/71/569356271.db2.gz GEEGOQBHUPQFOT-CXUHLZMHSA-N -1 1 403.843 4.282 40 0 HIABMM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000018038153 571049804 /nfs/dbraw/zinc/04/98/04/571049804.db2.gz DYMRJCXFMYYENS-VJBWXMMDSA-N -1 1 414.461 4.055 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(F)cc3)c2C)cc1 ZINC000044839543 525613662 /nfs/dbraw/zinc/61/36/62/525613662.db2.gz DPVJRDJKQAWLIB-UHFFFAOYSA-N -1 1 412.486 4.173 40 0 HIABMM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000408549317 557395779 /nfs/dbraw/zinc/39/57/79/557395779.db2.gz XFWNVUYCZMUTAU-UHFFFAOYSA-N -1 1 424.522 4.043 40 0 HIABMM CCCCOc1ccc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000408613747 557531735 /nfs/dbraw/zinc/53/17/35/557531735.db2.gz ZYUHOMSJQQJDTG-QHCPKHFHSA-N -1 1 424.541 4.229 40 0 HIABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000408613570 557533854 /nfs/dbraw/zinc/53/38/54/557533854.db2.gz YDKYGDQVQMTTCR-HXUWFJFHSA-N -1 1 400.906 4.012 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCCCC1 ZINC000408622387 557548467 /nfs/dbraw/zinc/54/84/67/557548467.db2.gz NMZMOVHFGAICQV-UHFFFAOYSA-N -1 1 406.935 4.384 40 0 HIABMM C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000004999502 557623665 /nfs/dbraw/zinc/62/36/65/557623665.db2.gz DPMPTNYKVOQUGX-GFCCVEGCSA-N -1 1 412.540 4.304 40 0 HIABMM CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000008034377 557770796 /nfs/dbraw/zinc/77/07/96/557770796.db2.gz WXXINSHVHIEXLP-UHFFFAOYSA-N -1 1 412.442 4.081 40 0 HIABMM COc1cccc2c(C)nc(Nc3nc(SCc4ccc(C)cc4)cc(=O)[n-]3)nc12 ZINC000010325254 557859945 /nfs/dbraw/zinc/85/99/45/557859945.db2.gz UZBPLMSSJIEGAM-UHFFFAOYSA-N -1 1 419.510 4.374 40 0 HIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSC(C)(C)C ZINC000010329727 557860635 /nfs/dbraw/zinc/86/06/35/557860635.db2.gz LKOIEVSPWDQEBD-UHFFFAOYSA-N -1 1 406.573 4.057 40 0 HIABMM CC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010335091 557861186 /nfs/dbraw/zinc/86/11/86/557861186.db2.gz FPNBPOHLXCOFKR-UHFFFAOYSA-N -1 1 408.479 4.251 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)cc2C)cc1 ZINC000020104377 558332795 /nfs/dbraw/zinc/33/27/95/558332795.db2.gz QZCIECFMINHFIA-UHFFFAOYSA-N -1 1 412.486 4.173 40 0 HIABMM CCOc1ccc2nc(Nc3nc(C)c(Cc4cccc(C)c4)c(=O)[n-]3)nc(C)c2c1 ZINC000020797969 558414796 /nfs/dbraw/zinc/41/47/96/558414796.db2.gz BVAJSCVPMHPQTI-UHFFFAOYSA-N -1 1 415.497 4.371 40 0 HIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)c1 ZINC000013612509 558549035 /nfs/dbraw/zinc/54/90/35/558549035.db2.gz HAIDBKGTJLMMTF-HNNXBMFYSA-N -1 1 400.544 4.285 40 0 HIABMM Cc1ccc(C(=O)N2CCCc3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013668407 558560320 /nfs/dbraw/zinc/56/03/20/558560320.db2.gz UZWCHYYXHYOKKZ-UHFFFAOYSA-N -1 1 406.507 4.389 40 0 HIABMM Cc1[nH]c2cccc(C(=O)N[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)c2c1C ZINC000019576791 558932988 /nfs/dbraw/zinc/93/29/88/558932988.db2.gz HYHPTRDIQOCQFH-QFIPXVFZSA-N -1 1 415.497 4.057 40 0 HIABMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)c(C)s2)no1 ZINC000006680185 560633749 /nfs/dbraw/zinc/63/37/49/560633749.db2.gz TUTLGUZGEWQXJM-UHFFFAOYSA-N -1 1 405.501 4.023 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000409354407 560714323 /nfs/dbraw/zinc/71/43/23/560714323.db2.gz DYYWOFMMHUHLMB-UHFFFAOYSA-N -1 1 422.550 4.387 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2C)cc1 ZINC000409409956 560721180 /nfs/dbraw/zinc/72/11/80/560721180.db2.gz SEARZGCITPIDTD-UHFFFAOYSA-N -1 1 420.534 4.303 40 0 HIABMM Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010112478 560764027 /nfs/dbraw/zinc/76/40/27/560764027.db2.gz HRASZDNQIRXQRP-KRWDZBQOSA-N -1 1 406.507 4.387 40 0 HIABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000013992492 560831660 /nfs/dbraw/zinc/83/16/60/560831660.db2.gz HPBQQHJBEAGQOV-QGZVFWFLSA-N -1 1 410.495 4.202 40 0 HIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102861367 560852829 /nfs/dbraw/zinc/85/28/29/560852829.db2.gz KKYZGWYOTCYEST-XPWALMASSA-N -1 1 414.461 4.055 40 0 HIABMM Cc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000195545649 560884426 /nfs/dbraw/zinc/88/44/26/560884426.db2.gz ARYHYIGFTIYRNV-QMTMVMCOSA-N -1 1 400.475 4.086 40 0 HIABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccccc4)ccc32)cc1 ZINC000020765971 568458953 /nfs/dbraw/zinc/45/89/53/568458953.db2.gz ZRAHJIAFJDEVQW-UHFFFAOYSA-N -1 1 406.507 4.389 40 0 HIABMM CCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000026115869 568540484 /nfs/dbraw/zinc/54/04/84/568540484.db2.gz OMUMCQTXPJTMPT-UHFFFAOYSA-N -1 1 418.584 4.398 40 0 HIABMM COC(=O)c1ccc(Nc2ccc(F)cc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411708 568547824 /nfs/dbraw/zinc/54/78/24/568547824.db2.gz GEBRKWFZHYNTNA-UHFFFAOYSA-N -1 1 414.458 4.465 40 0 HIABMM C[C@@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223926241 568563229 /nfs/dbraw/zinc/56/32/29/568563229.db2.gz AMOVTAHPBNBYKM-SFHVURJKSA-N -1 1 408.523 4.239 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000223935117 568563436 /nfs/dbraw/zinc/56/34/36/568563436.db2.gz HIFLIKUSRWBFLQ-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCSC(C)(C)C)c2)cc1 ZINC000223955285 568564377 /nfs/dbraw/zinc/56/43/77/568564377.db2.gz ZITFOYUUTKBGLW-UHFFFAOYSA-N -1 1 406.573 4.057 40 0 HIABMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223974071 568564998 /nfs/dbraw/zinc/56/49/98/568564998.db2.gz WOGOPXYFGAOFAN-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2C)cc1 ZINC000224009187 568566162 /nfs/dbraw/zinc/56/61/62/568566162.db2.gz RDVRCGJHWSJTEJ-UHFFFAOYSA-N -1 1 424.522 4.077 40 0 HIABMM CCc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224037342 568567202 /nfs/dbraw/zinc/56/72/02/568567202.db2.gz MGEQAJNNYUKNFJ-UHFFFAOYSA-N -1 1 410.495 4.311 40 0 HIABMM CCC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224072736 568568565 /nfs/dbraw/zinc/56/85/65/568568565.db2.gz ZNIJICBIZQFNJR-UHFFFAOYSA-N -1 1 410.923 4.068 40 0 HIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2cccc(Cl)c2)c1 ZINC000224075599 568568707 /nfs/dbraw/zinc/56/87/07/568568707.db2.gz DRMLINXDLABAMQ-UHFFFAOYSA-N -1 1 414.914 4.379 40 0 HIABMM COCc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224084138 568569130 /nfs/dbraw/zinc/56/91/30/568569130.db2.gz FNUKMKQPXDFBAL-UHFFFAOYSA-N -1 1 410.495 4.195 40 0 HIABMM CN(Cc1cccs1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224097315 568569751 /nfs/dbraw/zinc/56/97/51/568569751.db2.gz LZPUXUSSBXMSEC-UHFFFAOYSA-N -1 1 420.943 4.475 40 0 HIABMM O=C(Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1[O-])Nc1ccc(F)cc1 ZINC000007127588 569031581 /nfs/dbraw/zinc/03/15/81/569031581.db2.gz LFOAWWWDTQMACM-CQSZACIVSA-N -1 1 411.380 4.283 40 0 HIABMM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000007424034 569031717 /nfs/dbraw/zinc/03/17/17/569031717.db2.gz KEFVKMKFLASWMO-UHFFFAOYSA-N -1 1 412.371 4.293 40 0 HIABMM COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000006214015 569330005 /nfs/dbraw/zinc/33/00/05/569330005.db2.gz KXIQEVBUIPZRTP-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2C)c1C ZINC000006368750 569331727 /nfs/dbraw/zinc/33/17/27/569331727.db2.gz GJEYNFRXLUHBKM-UHFFFAOYSA-N -1 1 422.550 4.385 40 0 HIABMM COc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314332 569343345 /nfs/dbraw/zinc/34/33/45/569343345.db2.gz BUNAWHGBUYTYIV-UHFFFAOYSA-N -1 1 410.495 4.365 40 0 HIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC(C)(C)C)cc2C)cc1 ZINC000010362583 569344150 /nfs/dbraw/zinc/34/41/50/569344150.db2.gz VLIYKAYMRKTOKP-UHFFFAOYSA-N -1 1 420.600 4.366 40 0 HIABMM