smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000008840735 132295891 /nfs/dbraw/zinc/29/58/91/132295891.db2.gz INSZNDWNMJKBRT-UHFFFAOYSA-N -1 1 437.359 4.329 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cc1 ZINC000012548718 518409208 /nfs/dbraw/zinc/40/92/08/518409208.db2.gz HHJYOONDKFWAQM-QGZVFWFLSA-N -1 1 436.533 4.489 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c2)c1 ZINC000012540720 524196202 /nfs/dbraw/zinc/19/62/02/524196202.db2.gz URAWJIMAAHLWGH-KRWDZBQOSA-N -1 1 448.548 4.472 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nnc(C4CC4)s3)c2)c1 ZINC000012825555 524692737 /nfs/dbraw/zinc/69/27/37/524692737.db2.gz ZJVDVPZZPVQPMX-UHFFFAOYSA-N -1 1 448.957 4.430 50 0 IIAAMM COc1ccccc1[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012631391 524718877 /nfs/dbraw/zinc/71/88/77/524718877.db2.gz WZMKFUPFTDXRCN-MRXNPFEDSA-N -1 1 442.512 4.055 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1C ZINC000012604745 525298667 /nfs/dbraw/zinc/29/86/67/525298667.db2.gz XEDOMDAGMWCIPR-HZPDHXFCSA-N -1 1 436.961 4.007 50 0 IIAAMM Cc1c(C(=O)NCCSCc2ccccc2F)sc2nc(-c3ccco3)[n-]c(=O)c12 ZINC000012739209 525615362 /nfs/dbraw/zinc/61/53/62/525615362.db2.gz CZPZWJIFUJUSDQ-UHFFFAOYSA-N -1 1 443.525 4.355 50 0 IIAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)[n-]c(=O)c1C ZINC000012127089 526626856 /nfs/dbraw/zinc/62/68/56/526626856.db2.gz HNUIZONAPOOATR-UHFFFAOYSA-N -1 1 425.492 4.369 50 0 IIAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012508150 526777147 /nfs/dbraw/zinc/77/71/47/526777147.db2.gz XLPNCIZPOQERBB-OXJNMPFZSA-N -1 1 442.537 4.011 50 0 IIAAMM O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000012605406 527343728 /nfs/dbraw/zinc/34/37/28/527343728.db2.gz SAVWMACPXLDDIM-UHFFFAOYSA-N -1 1 430.869 4.122 50 0 IIAAMM CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc([O-])c(Cl)c2)NC(=O)N1 ZINC000001126893 555641401 /nfs/dbraw/zinc/64/14/01/555641401.db2.gz BGBMADNBTREPCM-MRXNPFEDSA-N -1 1 425.794 4.331 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000001155015 555658429 /nfs/dbraw/zinc/65/84/29/555658429.db2.gz TVXBNNHLJSPBRH-VBQJREDUSA-N -1 1 433.213 4.097 50 0 IIAAMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccccn1 ZINC000010556810 555987733 /nfs/dbraw/zinc/98/77/33/555987733.db2.gz OLSSFTKMLFQIFA-GOSISDBHSA-N -1 1 445.544 4.456 50 0 IIAAMM Cc1cc(C)nc(NC(=N)Nc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC000004530236 555999631 /nfs/dbraw/zinc/99/96/31/555999631.db2.gz HJMXUAUMBHXPMG-UHFFFAOYSA-N -1 1 430.921 4.006 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008595833 556190549 /nfs/dbraw/zinc/19/05/49/556190549.db2.gz LMKYKMDTSRVCDM-QFIPXVFZSA-N -1 1 429.432 4.302 50 0 aggregator IIAAMM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915407 556232555 /nfs/dbraw/zinc/23/25/55/556232555.db2.gz RWECVCFVBJZYFD-CPUCHLNUSA-N -1 1 433.213 4.097 50 0 IIAAMM CCOC(=O)C1=C(NC(=O)Cc2ccc(Br)cc2)[N-]c2ccccc2N=C1C ZINC000013138597 556485429 /nfs/dbraw/zinc/48/54/29/556485429.db2.gz BQJGUMSCBNLARF-UHFFFAOYSA-N -1 1 442.313 4.101 50 0 IIAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000032901303 556534759 /nfs/dbraw/zinc/53/47/59/556534759.db2.gz GJXRVQQKTDOXIV-UHFFFAOYSA-N -1 1 437.609 4.388 50 0 IIAAMM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000036416291 556598065 /nfs/dbraw/zinc/59/80/65/556598065.db2.gz RWECVCFVBJZYFD-JJRVBVJISA-N -1 1 433.213 4.097 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000011854409 556661787 /nfs/dbraw/zinc/66/17/87/556661787.db2.gz IVRCHDMDUIYRCA-UHFFFAOYSA-N -1 1 445.426 4.264 50 0 IIAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(OC(C)C)cc2)[n-]c(=O)c1C ZINC000011854899 556662097 /nfs/dbraw/zinc/66/20/97/556662097.db2.gz AXEIQHCCKXGDFU-UHFFFAOYSA-N -1 1 449.536 4.340 50 0 IIAAMM O=C(CCc1ccccc1)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000011855987 556662439 /nfs/dbraw/zinc/66/24/39/556662439.db2.gz DMNXTOCOTSDVSM-UHFFFAOYSA-N -1 1 445.548 4.134 50 0 IIAAMM CCOc1cc(-c2nc(CSc3nnc(N)s3)cs2)cc(Br)c1[O-] ZINC000019643117 556838105 /nfs/dbraw/zinc/83/81/05/556838105.db2.gz WULREBKWQDBTKS-UHFFFAOYSA-N -1 1 445.389 4.403 50 0 IIAAMM COc1ccc(Cc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1 ZINC000033122850 556863570 /nfs/dbraw/zinc/86/35/70/556863570.db2.gz KGVSMSPYOZAAPJ-UHFFFAOYSA-N -1 1 435.505 4.445 50 0 IIAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)c1 ZINC000046075607 557032528 /nfs/dbraw/zinc/03/25/28/557032528.db2.gz JOIOBJCNDOGCDV-SFHVURJKSA-N -1 1 448.548 4.052 50 0 IIAAMM Cc1nc(C)c(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)s1 ZINC000033276501 557056826 /nfs/dbraw/zinc/05/68/26/557056826.db2.gz XYEFEKJAPSMNRM-UHFFFAOYSA-N -1 1 430.486 4.417 50 0 IIAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000033297859 557073654 /nfs/dbraw/zinc/07/36/54/557073654.db2.gz MYKRSDIMSJPNDA-RAXLEYEMSA-N -1 1 441.509 4.311 50 0 IIAAMM CC1CCN(C(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)CC1 ZINC000049421360 557108145 /nfs/dbraw/zinc/10/81/45/557108145.db2.gz XIOHMHQNJSCPAE-GOSISDBHSA-N -1 1 436.581 4.127 50 0 IIAAMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC000000631015 557123197 /nfs/dbraw/zinc/12/31/97/557123197.db2.gz LALPSWVGCIIKMO-IRXDYDNUSA-N -1 1 430.570 4.034 50 0 IIAAMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccc1N(C)C ZINC000024645992 557156888 /nfs/dbraw/zinc/15/68/88/557156888.db2.gz YALQQTZEKYSJLV-UHFFFAOYSA-N -1 1 427.501 4.253 50 0 IIAAMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C(=O)N1CCCCC1 ZINC000026116472 557234968 /nfs/dbraw/zinc/23/49/68/557234968.db2.gz MSHHZLJBARDYTG-UHFFFAOYSA-N -1 1 432.567 4.038 50 0 IIAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101099323 557255420 /nfs/dbraw/zinc/25/54/20/557255420.db2.gz DGJULFFNUSNKAN-VXNXHJTFSA-N -1 1 444.487 4.150 50 0 IIAAMM CCc1ccc(-n2nc3c4cc(C(=O)NCc5cccs5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282366 557267425 /nfs/dbraw/zinc/26/74/25/557267425.db2.gz RBFYUEQMHVTSAF-UHFFFAOYSA-N -1 1 428.517 4.373 50 0 IIAAMM CCc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629398 557291825 /nfs/dbraw/zinc/29/18/25/557291825.db2.gz KPPCPELEIPCDSW-OYRHEFFESA-N -1 1 440.565 4.033 50 0 IIAAMM O=C(NCc1ccccc1F)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828580 557300137 /nfs/dbraw/zinc/30/01/37/557300137.db2.gz LYDLCNFQMONISN-UHFFFAOYSA-N -1 1 430.414 4.027 50 0 IIAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000102288498 557317426 /nfs/dbraw/zinc/31/74/26/557317426.db2.gz UYFNLEIRKYRVGU-KDURUIRLSA-N -1 1 446.956 4.124 50 0 IIAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2SC(C)C)n(C)c(=O)n3C)cc1C ZINC000045941194 557550818 /nfs/dbraw/zinc/55/08/18/557550818.db2.gz YOQCKRSEJWAEDS-UHFFFAOYSA-N -1 1 433.599 4.104 50 0 IIAAMM CSc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000238937081 557841968 /nfs/dbraw/zinc/84/19/68/557841968.db2.gz TZDBEOMQHZLIMI-RVKKMQEKSA-N -1 1 444.862 4.166 50 0 IIAAMM O=c1cc2nc(-c3ccccc3F)nc(SCc3ccc(Br)cc3)n2[n-]1 ZINC000008603090 562955959 /nfs/dbraw/zinc/95/59/59/562955959.db2.gz NOHWBBQNHCBQTC-UHFFFAOYSA-N -1 1 431.290 4.279 50 0 IIAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000086057730 568642504 /nfs/dbraw/zinc/64/25/04/568642504.db2.gz XXVMAKIRVJLEPO-SFHVURJKSA-N -1 1 439.512 4.464 50 0 IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccncc2)cc1OC ZINC000263586328 568759459 /nfs/dbraw/zinc/75/94/59/568759459.db2.gz SQUPEJGTRNFCLU-OAHLLOKOSA-N -1 1 445.427 4.019 50 0 biogenic IIAAMM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc2S1 ZINC000015730558 568814057 /nfs/dbraw/zinc/81/40/57/568814057.db2.gz PFPXIICVRYNWFX-JTQLQIEISA-N -1 1 427.345 4.073 50 0 IIAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2s1 ZINC000015870044 568851411 /nfs/dbraw/zinc/85/14/11/568851411.db2.gz LNTZSXOPOYMTDZ-UHFFFAOYSA-N -1 1 425.919 4.108 50 0 IIAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000524729397 568903800 /nfs/dbraw/zinc/90/38/00/568903800.db2.gz RPEMQGXRPSNPLZ-OAHLLOKOSA-N -1 1 428.396 4.335 50 0 biogenic IIAAMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCCCCC2)cc1C ZINC000064844035 568971838 /nfs/dbraw/zinc/97/18/38/568971838.db2.gz SVOBSJVWBNMDNE-UHFFFAOYSA-N -1 1 431.558 4.276 50 0 IIAAMM O=C(NC1CCCC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000065059753 569096174 /nfs/dbraw/zinc/09/61/74/569096174.db2.gz YAGHHEWZWYZGOR-UHFFFAOYSA-N -1 1 437.521 4.347 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC(C)C)c2)cc1 ZINC000065059708 569096187 /nfs/dbraw/zinc/09/61/87/569096187.db2.gz CQFWSFFMRBNFFH-UHFFFAOYSA-N -1 1 425.510 4.121 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC(C)C)c2)c1 ZINC000065059709 569096196 /nfs/dbraw/zinc/09/61/96/569096196.db2.gz FXVLWCAAQVMSRB-UHFFFAOYSA-N -1 1 439.537 4.430 50 0 IIAAMM O=C(NC1CCCC1)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063370 569097946 /nfs/dbraw/zinc/09/79/46/569097946.db2.gz HYFACCNTKLQUEU-UHFFFAOYSA-N -1 1 437.521 4.347 50 0 IIAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000065074484 569098855 /nfs/dbraw/zinc/09/88/55/569098855.db2.gz CHGMUFKOWPOQGI-MRXNPFEDSA-N -1 1 425.510 4.203 50 0 IIAAMM CC(C)CCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000065074487 569098887 /nfs/dbraw/zinc/09/88/87/569098887.db2.gz XPYBPPRJLQQRKN-UHFFFAOYSA-N -1 1 439.537 4.451 50 0 IIAAMM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 ZINC000013696528 569156712 /nfs/dbraw/zinc/15/67/12/569156712.db2.gz RWWRNWKJQXFIDV-UHFFFAOYSA-N -1 1 443.569 4.017 50 0 IIAAMM O=C(Nc1ccc2c[nH]nc2c1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000089793179 569164129 /nfs/dbraw/zinc/16/41/29/569164129.db2.gz ZOMRHXBJCKNZOD-UHFFFAOYSA-N -1 1 444.875 4.409 50 0 IIAAMM CC(C)C(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000017112991 569174132 /nfs/dbraw/zinc/17/41/32/569174132.db2.gz BOZNBEUTTDFEAM-UHFFFAOYSA-N -1 1 437.359 4.185 50 0 IIAAMM COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000001059514 569176628 /nfs/dbraw/zinc/17/66/28/569176628.db2.gz MLFMSYSBXWUXJW-UHFFFAOYSA-N -1 1 440.521 4.374 50 0 IIAAMM Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3cccs3)C2)c(=O)o1 ZINC000198413188 569209315 /nfs/dbraw/zinc/20/93/15/569209315.db2.gz OTNFOGWNFFCZEI-QGZVFWFLSA-N -1 1 446.488 4.278 50 0 IIAAMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000001323860 569256482 /nfs/dbraw/zinc/25/64/82/569256482.db2.gz AOGBWACLTOWOBW-UHFFFAOYSA-N -1 1 446.406 4.307 50 0 IIAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119650 569384697 /nfs/dbraw/zinc/38/46/97/569384697.db2.gz LKONKWRJUSXRNP-UHFFFAOYSA-N -1 1 440.912 4.485 50 0 IIAAMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029715712 569431869 /nfs/dbraw/zinc/43/18/69/569431869.db2.gz GHYGABQNPYZQGR-XMMPIXPASA-N -1 1 443.528 4.402 50 0 IIAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccsc2)CC(=O)O4)cc1O ZINC000217670187 569451193 /nfs/dbraw/zinc/45/11/93/569451193.db2.gz HHLNLDQUCMUJNT-ZDUSSCGKSA-N -1 1 436.441 4.382 50 0 biogenic IIAAMM CCOC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067298076 569468079 /nfs/dbraw/zinc/46/80/79/569468079.db2.gz WSNJUTYQMCASRY-GFMRDNFCSA-N -1 1 435.461 4.256 50 0 IIAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067298741 569468099 /nfs/dbraw/zinc/46/80/99/569468099.db2.gz DZWUQZGYSWQAIK-IDICYNCBSA-N -1 1 448.397 4.178 50 0 IIAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000008840963 569478389 /nfs/dbraw/zinc/47/83/89/569478389.db2.gz KRNWWINADSPDCR-UHFFFAOYSA-N -1 1 443.569 4.161 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1F ZINC000008961243 569490986 /nfs/dbraw/zinc/49/09/86/569490986.db2.gz UNZBOARNWNJWKT-UHFFFAOYSA-N -1 1 428.441 4.383 50 0 IIAAMM O=C([N-]c1nnc(-c2ccccn2)s1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000040145858 569492203 /nfs/dbraw/zinc/49/22/03/569492203.db2.gz VDDNVJCIJZXGTB-UHFFFAOYSA-N -1 1 449.496 4.301 50 0 IIAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2C1 ZINC000008977256 569492913 /nfs/dbraw/zinc/49/29/13/569492913.db2.gz BGHFKPMMJQVKMY-UHFFFAOYSA-N -1 1 432.954 4.401 50 0 IIAAMM O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC000040267273 569497415 /nfs/dbraw/zinc/49/74/15/569497415.db2.gz XGLAWFHWQZMCNP-GOSISDBHSA-N -1 1 446.385 4.186 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4cccc(C)c4n3)ccc2C)cc1OC ZINC000009184814 569510007 /nfs/dbraw/zinc/51/00/07/569510007.db2.gz XUNYGIDKGZGSDW-UHFFFAOYSA-N -1 1 437.521 4.436 50 0 IIAAMM O=C(NCc1cccnc1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000009244517 569515118 /nfs/dbraw/zinc/51/51/18/569515118.db2.gz MZJXNNZOJDZUDO-UHFFFAOYSA-N -1 1 436.320 4.119 50 0 IIAAMM CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)c2c(=O)[n-]c(SCc3ccccc3)nc2N1 ZINC000009393861 569529126 /nfs/dbraw/zinc/52/91/26/569529126.db2.gz BFPPHRRUDKQODA-IBGZPJMESA-N -1 1 448.548 4.240 50 0 IIAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000009435037 569534744 /nfs/dbraw/zinc/53/47/44/569534744.db2.gz DSHHYNVKHNURKP-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM CCOC(=O)C(=C([O-])COC(=O)c1ccccc1Nc1ccccc1)c1nc(C)cs1 ZINC000009585579 569549573 /nfs/dbraw/zinc/54/95/73/569549573.db2.gz LQVRXKDNWFLURU-HXUWFJFHSA-N -1 1 438.505 4.268 50 0 IIAAMM O=C(Nc1nc2c(cccc2F)s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009714762 569562871 /nfs/dbraw/zinc/56/28/71/569562871.db2.gz JTZLVNXYRPQOAZ-UHFFFAOYSA-N -1 1 427.482 4.489 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(-c2nc3ccccc3[nH]c2=O)c1 ZINC000009849242 569571348 /nfs/dbraw/zinc/57/13/48/569571348.db2.gz DSOQHCHUMCNAAX-UHFFFAOYSA-N -1 1 425.897 4.353 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000035684026 519638593 /nfs/dbraw/zinc/63/85/93/519638593.db2.gz LVBFAEPIXJBJOE-DEOSSOPVSA-N -1 1 433.533 4.493 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1F ZINC000035684011 519638631 /nfs/dbraw/zinc/63/86/31/519638631.db2.gz GAJVFOHVODYGEH-HSZRJFAPSA-N -1 1 437.496 4.324 50 0 IIAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000012526125 519838760 /nfs/dbraw/zinc/83/87/60/519838760.db2.gz CXZYONJFOFCNHA-UHFFFAOYSA-N -1 1 436.599 4.031 50 0 IIAAMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Oc3ccc(OC)cc3)c2)cc1 ZINC000022411427 522158540 /nfs/dbraw/zinc/15/85/40/522158540.db2.gz BCWNIUZZUYRRIY-UHFFFAOYSA-N -1 1 443.477 4.084 50 0 IIAAMM COc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccc(F)cc1 ZINC000022111814 522498651 /nfs/dbraw/zinc/49/86/51/522498651.db2.gz TXWHTXAIKCPCND-UHFFFAOYSA-N -1 1 439.310 4.174 50 0 IIAAMM COc1ccc(C=CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1OC ZINC000035044653 523432380 /nfs/dbraw/zinc/43/23/80/523432380.db2.gz BSNWTFNZPREGIF-LUAWRHEFSA-N -1 1 448.500 4.425 50 0 IIAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)ccc1Br ZINC000015730464 525288575 /nfs/dbraw/zinc/28/85/75/525288575.db2.gz XVVOMPJXFVSLKR-NSHDSACASA-N -1 1 441.372 4.381 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)Cc1cccc(F)c1 ZINC000012729701 525606566 /nfs/dbraw/zinc/60/65/66/525606566.db2.gz HGOBAMZHTULQSB-UHFFFAOYSA-N -1 1 430.476 4.346 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2)cc1F ZINC000012731240 525613638 /nfs/dbraw/zinc/61/36/38/525613638.db2.gz RWMWNOMBGRJJAO-QGZVFWFLSA-N -1 1 426.513 4.468 50 0 IIAAMM O=C([O-])c1cc(NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000021715339 526352235 /nfs/dbraw/zinc/35/22/35/526352235.db2.gz NIDWFBQUDKRROV-UHFFFAOYSA-N -1 1 444.457 4.186 50 0 IIAAMM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012806971 526413277 /nfs/dbraw/zinc/41/32/77/526413277.db2.gz JSTCLCOTOPTROS-UHFFFAOYSA-N -1 1 430.532 4.448 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000009139494 535401726 /nfs/dbraw/zinc/40/17/26/535401726.db2.gz UMLPMESAMSKZEF-UHFFFAOYSA-N -1 1 436.533 4.479 50 0 IIAAMM CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1c1cccs1 ZINC000001077364 555624987 /nfs/dbraw/zinc/62/49/87/555624987.db2.gz NAQYWYUYTUUCIM-HXUWFJFHSA-N -1 1 425.535 4.247 50 0 IIAAMM COc1ccc(-c2cc(=O)[n-]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000001150601 555656160 /nfs/dbraw/zinc/65/61/60/555656160.db2.gz PRDUQEKSAJAHEK-UHFFFAOYSA-N -1 1 436.320 4.483 50 0 IIAAMM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000001166586 555664382 /nfs/dbraw/zinc/66/43/82/555664382.db2.gz KAQMDMISTWYMDH-UHFFFAOYSA-N -1 1 440.521 4.130 50 0 IIAAMM CN1c2ccccc2[C@@H](NCCCCCCC(=O)[O-])c2ccc(Cl)cc2S1(=O)=O ZINC000001846165 555720137 /nfs/dbraw/zinc/72/01/37/555720137.db2.gz JICJBGPOMZQUBB-OAQYLSRUSA-N -1 1 436.961 4.193 50 0 world IIAAMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C ZINC000002861326 555844462 /nfs/dbraw/zinc/84/44/62/555844462.db2.gz XGMKZUQNGAOVGN-UHFFFAOYSA-N -1 1 443.546 4.499 50 0 IIAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)c1ccccc21 ZINC000002954968 555866672 /nfs/dbraw/zinc/86/66/72/555866672.db2.gz RKRFUQZMNKMHMI-UHFFFAOYSA-N -1 1 439.489 4.498 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000008746753 556210081 /nfs/dbraw/zinc/21/00/81/556210081.db2.gz TULWAJJCIQZTIT-UHFFFAOYSA-N -1 1 438.505 4.209 50 0 IIAAMM CSc1nnc([N-]C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)s1 ZINC000008916172 556232857 /nfs/dbraw/zinc/23/28/57/556232857.db2.gz FXCLPHOURDXXFS-UHFFFAOYSA-N -1 1 427.939 4.387 50 0 IIAAMM CC(=O)c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000032780975 556346437 /nfs/dbraw/zinc/34/64/37/556346437.db2.gz NQWYWWJIDXXVFJ-UHFFFAOYSA-N -1 1 436.461 4.282 50 0 IIAAMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000015869159 556559940 /nfs/dbraw/zinc/55/99/40/556559940.db2.gz JNLCCFLFOXMIFU-UHFFFAOYSA-N -1 1 449.488 4.381 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1 ZINC000011750325 556650383 /nfs/dbraw/zinc/65/03/83/556650383.db2.gz SGNZKZPCXXLIDM-UHFFFAOYSA-N -1 1 448.544 4.152 50 0 IIAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(Cl)c2)[n-]c(=O)c1C ZINC000011854913 556662010 /nfs/dbraw/zinc/66/20/10/556662010.db2.gz ZSCKGJQRFYQRSP-UHFFFAOYSA-N -1 1 425.901 4.207 50 0 IIAAMM Cc1cccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccccc3)nc12 ZINC000033026313 556703254 /nfs/dbraw/zinc/70/32/54/556703254.db2.gz ZGTHEFCGZWWOKI-UHFFFAOYSA-N -1 1 437.546 4.096 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn(-c4ccccc4)c3)cc2)cc1 ZINC000058009651 556752837 /nfs/dbraw/zinc/75/28/37/556752837.db2.gz KLCCMWHMFAQXIX-UHFFFAOYSA-N -1 1 432.505 4.234 50 0 IIAAMM Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000058218838 556773250 /nfs/dbraw/zinc/77/32/50/556773250.db2.gz BFWCUYRAIMQWMU-UHFFFAOYSA-N -1 1 433.965 4.049 50 0 IIAAMM CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000033171038 556881989 /nfs/dbraw/zinc/88/19/89/556881989.db2.gz QWHQGGIJJKPPGZ-XFFZJAGNSA-N -1 1 429.473 4.360 50 0 IIAAMM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)c1NC(=O)C1CC1 ZINC000033171088 556882077 /nfs/dbraw/zinc/88/20/77/556882077.db2.gz JPKSNWVDEIQDTP-GHXNOFRVSA-N -1 1 441.484 4.442 50 0 IIAAMM O=c1c([C@H]2NCCc3ccccc32)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000020149644 556990922 /nfs/dbraw/zinc/99/09/22/556990922.db2.gz AZYWGZYFBRKNNA-QFIPXVFZSA-N -1 1 427.529 4.298 50 0 IIAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)c1 ZINC000046075511 557032060 /nfs/dbraw/zinc/03/20/60/557032060.db2.gz IFXRHFNEIFFVMH-QGZVFWFLSA-N -1 1 448.548 4.052 50 0 IIAAMM CC(C)NC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)cc1 ZINC000033277052 557057772 /nfs/dbraw/zinc/05/77/72/557057772.db2.gz LOWGEMDFZCAXJT-UHFFFAOYSA-N -1 1 448.548 4.179 50 0 IIAAMM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025591680 557218053 /nfs/dbraw/zinc/21/80/53/557218053.db2.gz JHGCYXROIWRWIQ-HZPDHXFCSA-N -1 1 426.460 4.338 50 0 IIAAMM CC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3Cl)c(=O)[n-]2)cc1 ZINC000018191235 557246432 /nfs/dbraw/zinc/24/64/32/557246432.db2.gz ZAOBEZIBDDSKHW-UHFFFAOYSA-N -1 1 441.940 4.256 50 0 IIAAMM COc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc(SCc2ccccc2)[n-]c1=O ZINC000027069019 557256556 /nfs/dbraw/zinc/25/65/56/557256556.db2.gz JESUKSXRENAOMV-UHFFFAOYSA-N -1 1 449.576 4.291 50 0 IIAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1O ZINC000101494957 557288499 /nfs/dbraw/zinc/28/84/99/557288499.db2.gz AQAYEDQTZJTDCP-QGZVFWFLSA-N -1 1 441.534 4.221 50 0 IIAAMM COc1cc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)ccc1O ZINC000101494823 557288763 /nfs/dbraw/zinc/28/87/63/557288763.db2.gz GLAUUFVZRGEVJK-KRWDZBQOSA-N -1 1 441.534 4.221 50 0 IIAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1O ZINC000101494955 557288788 /nfs/dbraw/zinc/28/87/88/557288788.db2.gz AQAYEDQTZJTDCP-KRWDZBQOSA-N -1 1 441.534 4.221 50 0 IIAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101628748 557291685 /nfs/dbraw/zinc/29/16/85/557291685.db2.gz KRBLAOIVXKIAPS-BGYRXZFFSA-N -1 1 440.565 4.088 50 0 IIAAMM O=C(NCc1cccc(Cl)c1)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828494 557300113 /nfs/dbraw/zinc/30/01/13/557300113.db2.gz LFSVOYAMOSSECW-UHFFFAOYSA-N -1 1 428.879 4.402 50 0 IIAAMM Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101877957 557304415 /nfs/dbraw/zinc/30/44/15/557304415.db2.gz YAZYYEVMHWGQIT-UHFFFAOYSA-N -1 1 429.524 4.313 50 0 IIAAMM CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[nH+]c(C)n1 ZINC000033324511 557332933 /nfs/dbraw/zinc/33/29/33/557332933.db2.gz QZFZBPXJXFQLTD-UHFFFAOYSA-N -1 1 429.521 4.315 50 0 IIAAMM CCOc1ccc(-c2nc(CSc3nc4c(c(=O)[n-]3)CCCC4)c(C)o2)cc1OC ZINC000045924729 557549826 /nfs/dbraw/zinc/54/98/26/557549826.db2.gz HCWNCNKSNJGQKJ-UHFFFAOYSA-N -1 1 427.526 4.312 50 0 IIAAMM COc1ccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)c(C)o2)cc1OC ZINC000045924914 557549866 /nfs/dbraw/zinc/54/98/66/557549866.db2.gz NSYRMBWBPMQKCH-UHFFFAOYSA-N -1 1 427.404 4.062 50 0 IIAAMM Cc1nnc2c3ccccc3c(-c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)nn12 ZINC000009546069 562973152 /nfs/dbraw/zinc/97/31/52/562973152.db2.gz YEUSLBLMDGXHPS-UHFFFAOYSA-N -1 1 429.505 4.362 50 0 IIAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000015183514 568732212 /nfs/dbraw/zinc/73/22/12/568732212.db2.gz AYGFEVNDIXFFOI-UHFFFAOYSA-N -1 1 446.484 4.085 50 0 IIAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000015434234 568762178 /nfs/dbraw/zinc/76/21/78/568762178.db2.gz JLXUKHLXFJMPEV-UHFFFAOYSA-N -1 1 437.565 4.418 50 0 IIAAMM O=C(c1ccc([O-])cc1)C1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000084425243 568797833 /nfs/dbraw/zinc/79/78/33/568797833.db2.gz AAPJJCXBGZYAII-UHFFFAOYSA-N -1 1 428.414 4.362 50 0 IIAAMM COc1ccc(CNCc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])c(OC)c1 ZINC000015776814 568823994 /nfs/dbraw/zinc/82/39/94/568823994.db2.gz MJHDHOCPJMLNPY-UHFFFAOYSA-N -1 1 426.488 4.298 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(O)cc3)CC(=O)O4)c2=O)cc1 ZINC000085875969 568838189 /nfs/dbraw/zinc/83/81/89/568838189.db2.gz BVNIHWLSCIATLW-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(O)cc2)cc1 ZINC000085875969 568838190 /nfs/dbraw/zinc/83/81/90/568838190.db2.gz BVNIHWLSCIATLW-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM Cc1nc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)ccc2o1 ZINC000027012842 568937747 /nfs/dbraw/zinc/93/77/47/568937747.db2.gz JIIVIDHXEAYOGZ-UHFFFAOYSA-N -1 1 443.431 4.468 50 0 IIAAMM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000064979546 569078208 /nfs/dbraw/zinc/07/82/08/569078208.db2.gz VMSLBLWIGVQZOX-UHFFFAOYSA-N -1 1 427.251 4.053 50 0 IIAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2C1=O ZINC000065241568 569118905 /nfs/dbraw/zinc/11/89/05/569118905.db2.gz YFPRJFZQJBKCEK-UHFFFAOYSA-N -1 1 429.885 4.308 50 0 IIAAMM COc1ccc(N2OC3=C([O-])N(c4ccc(C)c(C)c4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000002351168 569282703 /nfs/dbraw/zinc/28/27/03/569282703.db2.gz AUDKUVXUPSRQDI-VXNXHJTFSA-N -1 1 428.488 4.363 50 0 IIAAMM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000095483664 569374652 /nfs/dbraw/zinc/37/46/52/569374652.db2.gz YCFGGOFKEXXIIW-SMIHKQSGSA-N -1 1 428.488 4.363 50 0 IIAAMM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)nn1 ZINC000021089738 569376056 /nfs/dbraw/zinc/37/60/56/569376056.db2.gz OKHHYOQUMMVXEO-UHFFFAOYSA-N -1 1 427.379 4.111 50 0 IIAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)ccc1O ZINC000096115736 569383400 /nfs/dbraw/zinc/38/34/00/569383400.db2.gz IRYXREOWEVUUOC-HNNXBMFYSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)ccc1O ZINC000096115737 569383490 /nfs/dbraw/zinc/38/34/90/569383490.db2.gz IRYXREOWEVUUOC-OAHLLOKOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000002643043 569413871 /nfs/dbraw/zinc/41/38/71/569413871.db2.gz VVFQKDWDZFWMKM-UHFFFAOYSA-N -1 1 434.439 4.436 50 0 IIAAMM CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000030011849 569440312 /nfs/dbraw/zinc/44/03/12/569440312.db2.gz PLIMQVMBKONDTA-UHFFFAOYSA-N -1 1 430.476 4.428 50 0 IIAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC[C@H]2CCCOC2)c1 ZINC000040157556 569494292 /nfs/dbraw/zinc/49/42/92/569494292.db2.gz PZUMYOMPKFBQFU-GOSISDBHSA-N -1 1 444.597 4.250 50 0 IIAAMM COc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000009090487 569501081 /nfs/dbraw/zinc/50/10/81/569501081.db2.gz RIJQHNACTWDPME-UHFFFAOYSA-N -1 1 446.912 4.167 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000009168210 569509057 /nfs/dbraw/zinc/50/90/57/569509057.db2.gz UUCBWYZCOJTRRL-UHFFFAOYSA-N -1 1 446.569 4.294 50 0 IIAAMM CC(C)C(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1c1ccco1 ZINC000009260687 569516959 /nfs/dbraw/zinc/51/69/59/569516959.db2.gz SOUXZEDWURSBQU-OAQYLSRUSA-N -1 1 437.521 4.414 50 0 IIAAMM C[C@@H]1CCc2nc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)sc2C1 ZINC000009714771 569562817 /nfs/dbraw/zinc/56/28/17/569562817.db2.gz GFFCKPZEVFOLOO-CYBMUJFWSA-N -1 1 445.541 4.460 50 0 IIAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022853454 520583684 /nfs/dbraw/zinc/58/36/84/520583684.db2.gz UOKRDLKBESOFIG-KRWDZBQOSA-N -1 1 448.976 4.077 50 0 IIAAMM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4cccc(F)c4)c3)nn2)CC1 ZINC000020554817 521035842 /nfs/dbraw/zinc/03/58/42/521035842.db2.gz CVYOJFVARQBIKF-UHFFFAOYSA-N -1 1 426.517 4.320 50 0 IIAAMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000022514456 524030273 /nfs/dbraw/zinc/03/02/73/524030273.db2.gz FQDZBKQLLJQXCP-UHFFFAOYSA-N -1 1 440.365 4.227 50 0 IIAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000012556088 524115549 /nfs/dbraw/zinc/11/55/49/524115549.db2.gz PYDPQARJJZHOBF-UHFFFAOYSA-N -1 1 441.988 4.227 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)C)ccc2N2CCCC2)cc1 ZINC000012526158 524687692 /nfs/dbraw/zinc/68/76/92/524687692.db2.gz OTLWGSWVAZZCJM-UHFFFAOYSA-N -1 1 431.558 4.081 50 0 IIAAMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccncc1 ZINC000012508324 525136493 /nfs/dbraw/zinc/13/64/93/525136493.db2.gz DCRQRLGPENNTJA-GOSISDBHSA-N -1 1 445.544 4.456 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1C ZINC000012604751 525298888 /nfs/dbraw/zinc/29/88/88/525298888.db2.gz XEDOMDAGMWCIPR-HOTGVXAUSA-N -1 1 436.961 4.007 50 0 IIAAMM COc1ccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000035684031 525405903 /nfs/dbraw/zinc/40/59/03/525405903.db2.gz DMMIBLGHFMCATE-XMMPIXPASA-N -1 1 449.532 4.194 50 0 IIAAMM COc1ccc([C@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000012556933 525411893 /nfs/dbraw/zinc/41/18/93/525411893.db2.gz IPPCYTBZTBBJLT-HSZRJFAPSA-N -1 1 436.533 4.473 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3cccc(Cl)c3)nn2c(=O)c1C ZINC000021807031 525447872 /nfs/dbraw/zinc/44/78/72/525447872.db2.gz FVWJVJQQIHNKGF-UHFFFAOYSA-N -1 1 442.306 4.188 50 0 IIAAMM O=C(NCc1cccc(C(F)(F)F)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000012552325 526712130 /nfs/dbraw/zinc/71/21/30/526712130.db2.gz OVNZAVZYQKCCPI-UHFFFAOYSA-N -1 1 434.439 4.436 50 0 IIAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012508149 526776841 /nfs/dbraw/zinc/77/68/41/526776841.db2.gz XLPNCIZPOQERBB-UZLBHIALSA-N -1 1 442.537 4.011 50 0 IIAAMM COC(=O)[C@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1ccccc1C)C(F)(F)F ZINC000002050313 555728739 /nfs/dbraw/zinc/72/87/39/555728739.db2.gz GEMACFZFURZEBX-LJQANCHMSA-N -1 1 437.443 4.187 50 0 IIAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)c1 ZINC000002135644 555747211 /nfs/dbraw/zinc/74/72/11/555747211.db2.gz XZDDIIJGCWMDSQ-UHFFFAOYSA-N -1 1 445.591 4.293 50 0 IIAAMM COc1cc([C@H](c2c[nH]nc2C)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000004113180 555963813 /nfs/dbraw/zinc/96/38/13/555963813.db2.gz UQNVWQVWUYKPGF-JOCHJYFZSA-N -1 1 432.480 4.172 50 0 IIAAMM CC1(C)C[C@@H](n2c3nnc([S-])n3c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 ZINC000006232543 556081413 /nfs/dbraw/zinc/08/14/13/556081413.db2.gz ULDQKVOIHSFEHQ-INIZCTEOSA-N -1 1 436.581 4.345 50 0 IIAAMM C[C@H](Sc1nc2c(c(=O)[n-]1)CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008587359 556188284 /nfs/dbraw/zinc/18/82/84/556188284.db2.gz BUOBCPOGQNZAKC-VIFPVBQESA-N -1 1 431.867 4.440 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000008595831 556190653 /nfs/dbraw/zinc/19/06/53/556190653.db2.gz LMKYKMDTSRVCDM-JOCHJYFZSA-N -1 1 429.432 4.302 50 0 aggregator IIAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)c1 ZINC000033274607 556558683 /nfs/dbraw/zinc/55/86/83/556558683.db2.gz YGHVHNRVABDXTI-UHFFFAOYSA-N -1 1 434.561 4.186 50 0 IIAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000032975642 556600160 /nfs/dbraw/zinc/60/01/60/556600160.db2.gz KRBLAOIVXKIAPS-WOJBJXKFSA-N -1 1 440.565 4.088 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1I ZINC000016347725 556601840 /nfs/dbraw/zinc/60/18/40/556601840.db2.gz BVRFMLJSFLXUQS-UHFFFAOYSA-N -1 1 437.686 4.062 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)CCc2ccccc2)n1 ZINC000011855637 556662103 /nfs/dbraw/zinc/66/21/03/556662103.db2.gz AAQHGWKAWWHBHQ-UHFFFAOYSA-N -1 1 433.537 4.379 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)c2ccccc2)cc1NC(C)=O ZINC000032932357 556675720 /nfs/dbraw/zinc/67/57/20/556675720.db2.gz WMNJTLOCLONRQR-UHFFFAOYSA-N -1 1 425.510 4.222 50 0 IIAAMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2C)cc1 ZINC000058180232 556770265 /nfs/dbraw/zinc/77/02/65/556770265.db2.gz NQVPYXWHNUWHOC-UHFFFAOYSA-N -1 1 433.580 4.072 50 0 IIAAMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2C)c1 ZINC000058180253 556770279 /nfs/dbraw/zinc/77/02/79/556770279.db2.gz OIRJDDOXQRDVMJ-UHFFFAOYSA-N -1 1 434.564 4.499 50 0 IIAAMM CCc1cc2c([n-]c(=S)n(NC(=O)c3cc(Br)ccc3Cl)c2=O)s1 ZINC000019642118 556837926 /nfs/dbraw/zinc/83/79/26/556837926.db2.gz QUDQRQHXZQFZAR-UHFFFAOYSA-N -1 1 444.763 4.483 50 0 IIAAMM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000033171432 556882353 /nfs/dbraw/zinc/88/23/53/556882353.db2.gz GAQQWVDLBYMKCA-UHFFFAOYSA-N -1 1 440.500 4.270 50 0 IIAAMM CCc1ccc(OCc2ccc(-c3n[n-]c(=S)n3CCCN3CCOCC3)cc2)cc1 ZINC000020028609 556967510 /nfs/dbraw/zinc/96/75/10/556967510.db2.gz MHRWSYAOWSQDCL-UHFFFAOYSA-N -1 1 438.597 4.471 50 0 IIAAMM Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000046027393 557023434 /nfs/dbraw/zinc/02/34/34/557023434.db2.gz FZQKAKKVSCACRE-UHFFFAOYSA-N -1 1 443.956 4.089 50 0 IIAAMM CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3n2C)cc1 ZINC000033276960 557057841 /nfs/dbraw/zinc/05/78/41/557057841.db2.gz BCABQQQEQAPDQF-UHFFFAOYSA-N -1 1 448.548 4.099 50 0 IIAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NC3CCCC3)C1)nc2=O ZINC000049421419 557108190 /nfs/dbraw/zinc/10/81/90/557108190.db2.gz XAIORAUFFPACAK-INIZCTEOSA-N -1 1 436.581 4.235 50 0 IIAAMM CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000017802403 557123686 /nfs/dbraw/zinc/12/36/86/557123686.db2.gz MVMJIMVFQVRQJE-UHFFFAOYSA-N -1 1 430.551 4.220 50 0 IIAAMM CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018044053 557234350 /nfs/dbraw/zinc/23/43/50/557234350.db2.gz DEFJWDXEEOVJRK-SMIHKQSGSA-N -1 1 441.487 4.005 50 0 IIAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5F)ccc4[n-]cc-3c2=O)cc1 ZINC000101282007 557267098 /nfs/dbraw/zinc/26/70/98/557267098.db2.gz BYKIUDDGPXHVEN-UHFFFAOYSA-N -1 1 426.451 4.196 50 0 IIAAMM O=C(NCc1ccccc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282174 557267159 /nfs/dbraw/zinc/26/71/59/557267159.db2.gz KMBLEYVDXXOORS-UHFFFAOYSA-N -1 1 428.879 4.402 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccccc3)C(=O)c3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000101861048 557304027 /nfs/dbraw/zinc/30/40/27/557304027.db2.gz NVTCCINNDYEAHL-UHFFFAOYSA-N -1 1 449.514 4.164 50 0 IIAAMM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)n1 ZINC000024436854 557320451 /nfs/dbraw/zinc/32/04/51/557320451.db2.gz RUXSEZCLOGGCBU-UHFFFAOYSA-N -1 1 435.427 4.462 50 0 IIAAMM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000033254005 557327710 /nfs/dbraw/zinc/32/77/10/557327710.db2.gz GDRCTHINPYFOEF-UHFFFAOYSA-N -1 1 440.949 4.474 50 0 IIAAMM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102728740 557370604 /nfs/dbraw/zinc/37/06/04/557370604.db2.gz NCHDXFHHGQEGQN-RBZQAINGSA-N -1 1 444.487 4.063 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000239882049 557845360 /nfs/dbraw/zinc/84/53/60/557845360.db2.gz DAADXQROVDOBDX-QHCPKHFHSA-N -1 1 437.496 4.324 50 0 IIAAMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OC1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC000084098783 568792809 /nfs/dbraw/zinc/79/28/09/568792809.db2.gz FXKLUKSEKTYIAT-UNXYVOJBSA-N -1 1 427.341 4.006 50 0 IIAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)ccc1Br ZINC000015730761 568814240 /nfs/dbraw/zinc/81/42/40/568814240.db2.gz JDYSHZLCQWBYSZ-LLVKDONJSA-N -1 1 441.372 4.239 50 0 IIAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)c(OC)c2c1OCO2 ZINC000085411855 568818028 /nfs/dbraw/zinc/81/80/28/568818028.db2.gz IZQDMEVCDBMXBU-IBGZPJMESA-N -1 1 431.514 4.314 50 0 IIAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000064951948 568997196 /nfs/dbraw/zinc/99/71/96/568997196.db2.gz OPSJQZRESYHLLT-UHFFFAOYSA-N -1 1 430.473 4.355 50 0 IIAAMM Cn1cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000036365749 569086940 /nfs/dbraw/zinc/08/69/40/569086940.db2.gz RRBVUHXIOGVLOB-YCRPNKLZSA-N -1 1 449.532 4.492 50 0 IIAAMM CCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063334 569097900 /nfs/dbraw/zinc/09/79/00/569097900.db2.gz ZGQUOORNAAZKKX-UHFFFAOYSA-N -1 1 445.928 4.468 50 0 IIAAMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000014181349 569158102 /nfs/dbraw/zinc/15/81/02/569158102.db2.gz RCFZFNRMIZWNIX-UHFFFAOYSA-N -1 1 446.580 4.425 50 0 IIAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000002417954 569301644 /nfs/dbraw/zinc/30/16/44/569301644.db2.gz KUSNJMJTTHZZMZ-NJYVYQBISA-N -1 1 448.862 4.089 50 0 IIAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000013070191 569308873 /nfs/dbraw/zinc/30/88/73/569308873.db2.gz WDQCMTPXSGBEBW-UHFFFAOYSA-N -1 1 438.505 4.209 50 0 IIAAMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029715709 569431919 /nfs/dbraw/zinc/43/19/19/569431919.db2.gz GHYGABQNPYZQGR-DEOSSOPVSA-N -1 1 443.528 4.402 50 0 IIAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000058023856 569445463 /nfs/dbraw/zinc/44/54/63/569445463.db2.gz XWJMGARUPXZWGV-UHFFFAOYSA-N -1 1 448.470 4.366 50 0 IIAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)ccc1O ZINC000217745878 569452548 /nfs/dbraw/zinc/45/25/48/569452548.db2.gz XTVYFCLFUXDYBA-HNNXBMFYSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000008824938 569477289 /nfs/dbraw/zinc/47/72/89/569477289.db2.gz RXPFFPAAKLOAIE-UHFFFAOYSA-N -1 1 447.365 4.087 50 0 IIAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840873 569478429 /nfs/dbraw/zinc/47/84/29/569478429.db2.gz VWJXWZXPRXYYSE-UHFFFAOYSA-N -1 1 443.569 4.161 50 0 IIAAMM COC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000008870302 569480540 /nfs/dbraw/zinc/48/05/40/569480540.db2.gz UDPDSUBEAJLUDW-UHFFFAOYSA-N -1 1 438.299 4.400 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)ccc1F ZINC000009168322 569509164 /nfs/dbraw/zinc/50/91/64/569509164.db2.gz SHMRNBQTRNSDGQ-UHFFFAOYSA-N -1 1 434.533 4.343 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2nc3ccccc3[nH]c2=O)cc1 ZINC000009260559 569516924 /nfs/dbraw/zinc/51/69/24/569516924.db2.gz SFHDSHZYTRICJP-UHFFFAOYSA-N -1 1 425.897 4.353 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3N3CCCC3=O)c2)cc1 ZINC000009378525 569527622 /nfs/dbraw/zinc/52/76/22/569527622.db2.gz SVMNHKCNVDMNND-UHFFFAOYSA-N -1 1 449.532 4.175 50 0 IIAAMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c(C)o1 ZINC000009550379 569546682 /nfs/dbraw/zinc/54/66/82/569546682.db2.gz ONFHZAUCZSKVMK-UHFFFAOYSA-N -1 1 442.493 4.111 50 0 IIAAMM CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C[C@H]1c1ccco1 ZINC000009668205 569557921 /nfs/dbraw/zinc/55/79/21/569557921.db2.gz WFDCOYDJPQOENT-FQEVSTJZSA-N -1 1 443.912 4.431 50 0 IIAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)OCO3)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685799 569560688 /nfs/dbraw/zinc/56/06/88/569560688.db2.gz QJBRDNJDORKIIZ-UHFFFAOYSA-N -1 1 440.521 4.415 50 0 IIAAMM O=C(NCCCn1ccc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009971037 569576282 /nfs/dbraw/zinc/57/62/82/569576282.db2.gz AZYKYKVPYZSLNC-UHFFFAOYSA-N -1 1 433.533 4.262 50 0 IIAAMM O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000010323025 569580958 /nfs/dbraw/zinc/58/09/58/569580958.db2.gz NDRXHHIIFPUQKJ-UHFFFAOYSA-N -1 1 448.859 4.261 50 0 IIAAMM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(=O)CCC)cc3)ccc21 ZINC000008840775 132295865 /nfs/dbraw/zinc/29/58/65/132295865.db2.gz DYZFDWWLVAACDJ-UHFFFAOYSA-N -1 1 443.569 4.305 50 0 IIAAMM CCC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)ccc21 ZINC000009680229 132325594 /nfs/dbraw/zinc/32/55/94/132325594.db2.gz XBKASHZDRHTFEI-UHFFFAOYSA-N -1 1 437.359 4.248 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000035684023 519638236 /nfs/dbraw/zinc/63/82/36/519638236.db2.gz WUOLZCBVUQAKFJ-HSZRJFAPSA-N -1 1 437.496 4.324 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1C ZINC000035683998 519638501 /nfs/dbraw/zinc/63/85/01/519638501.db2.gz DYQHFBLFVHNVHH-DEOSSOPVSA-N -1 1 433.533 4.493 50 0 IIAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2OC)s1 ZINC000033007883 521229998 /nfs/dbraw/zinc/22/99/98/521229998.db2.gz TUFFMJRDOICLAT-UHFFFAOYSA-N -1 1 443.909 4.247 50 0 IIAAMM COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000012754434 524433350 /nfs/dbraw/zinc/43/33/50/524433350.db2.gz WRZXKUBNGHPXRM-UHFFFAOYSA-N -1 1 442.512 4.216 50 0 IIAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000020893802 524900028 /nfs/dbraw/zinc/90/00/28/524900028.db2.gz AACFHIRUBURDDR-UHFFFAOYSA-N -1 1 443.956 4.387 50 0 IIAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NC(C)(C)C)[n-]2)cc1 ZINC000012112504 525818157 /nfs/dbraw/zinc/81/81/57/525818157.db2.gz VWCUTGVEFUNAHL-UHFFFAOYSA-N -1 1 443.594 4.225 50 0 IIAAMM CSc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)o1 ZINC000035597594 526178087 /nfs/dbraw/zinc/17/80/87/526178087.db2.gz QMNCOAMLWMSNFY-UHFFFAOYSA-N -1 1 432.523 4.200 50 0 IIAAMM Cc1noc(C)c1CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000012824062 526489233 /nfs/dbraw/zinc/48/92/33/526489233.db2.gz JFCGGBLPJSHXID-UHFFFAOYSA-N -1 1 449.916 4.023 50 0 IIAAMM O=C(Cc1noc2ccccc12)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000020895688 527346635 /nfs/dbraw/zinc/34/66/35/527346635.db2.gz PPAJMDNUYAQUCO-UHFFFAOYSA-N -1 1 441.896 4.463 50 0 IIAAMM Cn1ccnc1[C@@H](O)c1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000012428196 527457434 /nfs/dbraw/zinc/45/74/34/527457434.db2.gz DQBFGFIPCNPZQU-QFIPXVFZSA-N -1 1 433.489 4.202 50 0 IIAAMM COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000000667652 555529579 /nfs/dbraw/zinc/52/95/79/555529579.db2.gz GPWBABITJQILJP-UHFFFAOYSA-N -1 1 438.549 4.053 50 0 IIAAMM CCOC(=O)c1c(NC(=O)CC([O-])(C(F)(F)F)C(F)(F)F)sc2c1CC[C@H](C)C2 ZINC000001445864 555698714 /nfs/dbraw/zinc/69/87/14/555698714.db2.gz OHJPSOQWPDQSIE-QMMMGPOBSA-N -1 1 447.397 4.234 50 0 IIAAMM COC(=O)[C@]([N-]c1nc(C)cs1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002284213 555765522 /nfs/dbraw/zinc/76/55/22/555765522.db2.gz LPPIIVNZHNOVOX-CQSZACIVSA-N -1 1 442.246 4.032 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSc3ccccc3)cc2)cc1 ZINC000006269912 556083304 /nfs/dbraw/zinc/08/33/04/556083304.db2.gz ILWJKSVMQFLIGR-UHFFFAOYSA-N -1 1 426.563 4.318 50 0 IIAAMM O=C(Nc1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000008746758 556210095 /nfs/dbraw/zinc/21/00/95/556210095.db2.gz FXSDQIGDLWXGFG-UHFFFAOYSA-N -1 1 439.493 4.293 50 0 IIAAMM COc1ccccc1CCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000032833877 556417848 /nfs/dbraw/zinc/41/78/48/556417848.db2.gz UECRSTMAQIXFMQ-UHFFFAOYSA-N -1 1 428.485 4.206 50 0 IIAAMM CCOc1ccc(-n2c3ccccc3nc2SCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000013076270 556455648 /nfs/dbraw/zinc/45/56/48/556455648.db2.gz CEXOVXUGBCWUSV-UHFFFAOYSA-N -1 1 431.517 4.473 50 0 IIAAMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000032898934 556517437 /nfs/dbraw/zinc/51/74/37/556517437.db2.gz VIJIERDUGOQORW-UHFFFAOYSA-N -1 1 425.488 4.466 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013597312 556532385 /nfs/dbraw/zinc/53/23/85/556532385.db2.gz TVXBNNHLJSPBRH-CPUCHLNUSA-N -1 1 433.213 4.097 50 0 IIAAMM COc1ccc(N2OC3=C([O-])N(c4ccc(C)c(C)c4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000013598955 556532660 /nfs/dbraw/zinc/53/26/60/556532660.db2.gz AUDKUVXUPSRQDI-HJOGWXRNSA-N -1 1 428.488 4.363 50 0 IIAAMM O=C(NC1CCCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033115380 556554941 /nfs/dbraw/zinc/55/49/41/556554941.db2.gz MFACIDIJIVKLCM-UHFFFAOYSA-N -1 1 430.545 4.497 50 0 IIAAMM CC(C)CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000033274503 556558494 /nfs/dbraw/zinc/55/84/94/556558494.db2.gz WRESVBQBBIIZDT-UHFFFAOYSA-N -1 1 438.952 4.474 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[n-]c(=O)c2[C@@H]1c1ccccc1 ZINC000100821758 556593852 /nfs/dbraw/zinc/59/38/52/556593852.db2.gz VNGPTGLOWCNXIH-GOSISDBHSA-N -1 1 437.496 4.206 50 0 IIAAMM CCc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000032975663 556600311 /nfs/dbraw/zinc/60/03/11/556600311.db2.gz KPPCPELEIPCDSW-NHCUHLMSSA-N -1 1 440.565 4.033 50 0 IIAAMM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000032930135 556673346 /nfs/dbraw/zinc/67/33/46/556673346.db2.gz ZRJGTVLLRAVWBE-MRXNPFEDSA-N -1 1 428.485 4.341 50 0 IIAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000100799156 556675284 /nfs/dbraw/zinc/67/52/84/556675284.db2.gz PUCZXUVHKHVZFL-SMIHKQSGSA-N -1 1 444.487 4.063 50 0 IIAAMM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000072312864 556687879 /nfs/dbraw/zinc/68/78/79/556687879.db2.gz XVABSPVRUQHOIV-UHFFFAOYSA-N -1 1 436.477 4.048 50 0 IIAAMM Cc1ccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000033026265 556703311 /nfs/dbraw/zinc/70/33/11/556703311.db2.gz JWDIVRDBPKBFTO-UHFFFAOYSA-N -1 1 437.546 4.096 50 0 IIAAMM Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000010656864 556755594 /nfs/dbraw/zinc/75/55/94/556755594.db2.gz KEWNJIVHYDCNJY-UHFFFAOYSA-N -1 1 431.926 4.389 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC(C)C)cn3)cc2)cc1 ZINC000033138312 556869875 /nfs/dbraw/zinc/86/98/75/556869875.db2.gz PNVSOADQCIZIDJ-UHFFFAOYSA-N -1 1 441.578 4.480 50 0 IIAAMM CC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000020311050 557007452 /nfs/dbraw/zinc/00/74/52/557007452.db2.gz BZTMUSKLJNKDCV-UHFFFAOYSA-N -1 1 425.535 4.499 50 0 IIAAMM Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000046027404 557023421 /nfs/dbraw/zinc/02/34/21/557023421.db2.gz HUNQLEDCCYCQPB-UHFFFAOYSA-N -1 1 437.565 4.052 50 0 IIAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c1 ZINC000046027454 557023651 /nfs/dbraw/zinc/02/36/51/557023651.db2.gz WUDXRCOWKSKRHU-UHFFFAOYSA-N -1 1 437.565 4.052 50 0 IIAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000046075617 557032449 /nfs/dbraw/zinc/03/24/49/557032449.db2.gz ZQKDTZYWHMFJJK-GOSISDBHSA-N -1 1 448.548 4.052 50 0 IIAAMM CCCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n2ncnc2n1 ZINC000033276030 557055171 /nfs/dbraw/zinc/05/51/71/557055171.db2.gz VXMXCZGBBANWOX-UHFFFAOYSA-N -1 1 439.566 4.337 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000017322102 557058271 /nfs/dbraw/zinc/05/82/71/557058271.db2.gz VSTWFFPJGRENJC-UHFFFAOYSA-N -1 1 436.533 4.085 50 0 IIAAMM Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048300548 557062409 /nfs/dbraw/zinc/06/24/09/557062409.db2.gz QZQWZQZDDRSROX-HXUWFJFHSA-N -1 1 440.496 4.189 50 0 IIAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2s1 ZINC000033298890 557075069 /nfs/dbraw/zinc/07/50/69/557075069.db2.gz WHNOQLFFEWWRCQ-UHFFFAOYSA-N -1 1 438.596 4.188 50 0 IIAAMM Cc1nc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)ccc2[nH]1 ZINC000010896720 557082381 /nfs/dbraw/zinc/08/23/81/557082381.db2.gz JYECEOWMTFJAMM-UHFFFAOYSA-N -1 1 442.447 4.203 50 0 IIAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2)n1)NCc1ccc(C(F)(F)F)cc1 ZINC000033313182 557098288 /nfs/dbraw/zinc/09/82/88/557098288.db2.gz OIABISUXHOHBFF-UHFFFAOYSA-N -1 1 433.455 4.352 50 0 IIAAMM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc2Cl)n1C ZINC000023575172 557099461 /nfs/dbraw/zinc/09/94/61/557099461.db2.gz IDVMKPIOAYFJEA-UHFFFAOYSA-N -1 1 445.972 4.335 50 0 IIAAMM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018006620 557152610 /nfs/dbraw/zinc/15/26/10/557152610.db2.gz BQFOUNRVJDTJHS-VXNXHJTFSA-N -1 1 444.487 4.069 50 0 IIAAMM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)cc3c2N(CCC3)C1=O ZINC000101079015 557226664 /nfs/dbraw/zinc/22/66/64/557226664.db2.gz YJAOAQATUFQJAL-SNVBAGLBSA-N -1 1 428.407 4.042 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccs3)C(=O)c3ccc(F)cc3)nn2c1=O ZINC000101861483 557304035 /nfs/dbraw/zinc/30/40/35/557304035.db2.gz SRGBNXVMCMSHOK-UHFFFAOYSA-N -1 1 439.516 4.116 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)c3ccccc3C)nn2c1=O ZINC000101861401 557304070 /nfs/dbraw/zinc/30/40/70/557304070.db2.gz SASCVNYOAVQGHO-UHFFFAOYSA-N -1 1 447.514 4.363 50 0 IIAAMM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102728746 557370665 /nfs/dbraw/zinc/37/06/65/557370665.db2.gz NCHDXFHHGQEGQN-WXFUMESZSA-N -1 1 444.487 4.063 50 0 IIAAMM Cc1cc(-c2nc3cccnc3s2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000008670411 562960668 /nfs/dbraw/zinc/96/06/68/562960668.db2.gz XVKPBTUXTFPXPM-UHFFFAOYSA-N -1 1 439.518 4.239 50 0 aggregator IIAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])c1ccc(F)cc1F ZINC000009138578 562967783 /nfs/dbraw/zinc/96/77/83/562967783.db2.gz VBZUXOYCCREYOL-UHFFFAOYSA-N -1 1 438.839 4.377 50 0 IIAAMM O=S(=O)([N-]c1cc(Br)ccc1Br)c1cc(F)ccc1F ZINC000031720211 568741932 /nfs/dbraw/zinc/74/19/32/568741932.db2.gz LBKXPPBMJSOOMN-UHFFFAOYSA-N -1 1 427.064 4.291 50 0 IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccnc2)cc1OC ZINC000263585804 568759242 /nfs/dbraw/zinc/75/92/42/568759242.db2.gz MULJLXNLDVSDMO-OAHLLOKOSA-N -1 1 445.427 4.019 50 0 biogenic IIAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)ccc1Br ZINC000015730762 568814140 /nfs/dbraw/zinc/81/41/40/568814140.db2.gz JDYSHZLCQWBYSZ-NSHDSACASA-N -1 1 441.372 4.239 50 0 IIAAMM COc1cccc(Cn2c(C)c(CNCc3ccc(OC)cc3OC)c(C(=O)[O-])c2C)c1 ZINC000015777090 568823851 /nfs/dbraw/zinc/82/38/51/568823851.db2.gz KCLOAUPTZNUJRR-UHFFFAOYSA-N -1 1 438.524 4.167 50 0 IIAAMM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015870563 568851952 /nfs/dbraw/zinc/85/19/52/568851952.db2.gz OZHKOHVEWWNDMQ-UHFFFAOYSA-N -1 1 427.476 4.438 50 0 IIAAMM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)nn2)CC1 ZINC000015882205 568856850 /nfs/dbraw/zinc/85/68/50/568856850.db2.gz QJLCQSZRHCSXLX-UHFFFAOYSA-N -1 1 426.517 4.320 50 0 IIAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000524729396 568903904 /nfs/dbraw/zinc/90/39/04/568903904.db2.gz RPEMQGXRPSNPLZ-HNNXBMFYSA-N -1 1 428.396 4.335 50 0 biogenic IIAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000245240059 568913288 /nfs/dbraw/zinc/91/32/88/568913288.db2.gz KUSNJMJTTHZZMZ-HBMCJLEFSA-N -1 1 448.862 4.089 50 0 IIAAMM Cc1ccc(CN2CCN(c3ccc(NC(=O)c4ccccc4F)c(C(=O)[O-])c3)CC2)cc1 ZINC000064589556 568934986 /nfs/dbraw/zinc/93/49/86/568934986.db2.gz VGSKFEBVPQWIBU-UHFFFAOYSA-N -1 1 447.510 4.407 50 0 IIAAMM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000016690082 568938491 /nfs/dbraw/zinc/93/84/91/568938491.db2.gz PRLUGTZOQCREFO-QGZVFWFLSA-N -1 1 448.976 4.077 50 0 IIAAMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)cc2sc1=O ZINC000064946817 568993903 /nfs/dbraw/zinc/99/39/03/568993903.db2.gz CIOKPJGXKDJUCM-UHFFFAOYSA-N -1 1 441.372 4.345 50 0 IIAAMM COc1cc(OC)cc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000036391614 569098003 /nfs/dbraw/zinc/09/80/03/569098003.db2.gz OGWBHUGJSUJITQ-UHFFFAOYSA-N -1 1 426.494 4.065 50 0 IIAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115312 569106679 /nfs/dbraw/zinc/10/66/79/569106679.db2.gz LZWBWYKOFBOFJU-UHFFFAOYSA-N -1 1 427.526 4.126 50 0 IIAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2C1=O ZINC000065241575 569118914 /nfs/dbraw/zinc/11/89/14/569118914.db2.gz SKLREDJCJMXMNO-UHFFFAOYSA-N -1 1 447.875 4.447 50 0 IIAAMM CC(C)N1CCCn2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2C1=O ZINC000065258828 569124655 /nfs/dbraw/zinc/12/46/55/569124655.db2.gz ITSHFYZZRHQXFJ-UHFFFAOYSA-N -1 1 439.537 4.336 50 0 IIAAMM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccccc5)coc4c32)ccc1O ZINC000524731336 569126452 /nfs/dbraw/zinc/12/64/52/569126452.db2.gz TZDROVPLMGPWDO-OAHLLOKOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)ccc1O ZINC000524731336 569126454 /nfs/dbraw/zinc/12/64/54/569126454.db2.gz TZDROVPLMGPWDO-OAHLLOKOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1F ZINC000013696264 569156560 /nfs/dbraw/zinc/15/65/60/569156560.db2.gz BOPBCOCTWJETDH-UHFFFAOYSA-N -1 1 446.525 4.290 50 0 IIAAMM COc1ccc([C@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470853 569282584 /nfs/dbraw/zinc/28/25/84/569282584.db2.gz HCLXYHHMAMKMFJ-NRFANRHFSA-N -1 1 446.503 4.025 50 0 IIAAMM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3)nn2)n1 ZINC000013010061 569306756 /nfs/dbraw/zinc/30/67/56/569306756.db2.gz XZMPJSOOGUCENB-UHFFFAOYSA-N -1 1 440.916 4.169 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3sc(C)nc3C)cc2)cc1 ZINC000079050474 569323346 /nfs/dbraw/zinc/32/33/46/569323346.db2.gz SENKISWZIJYVDV-UHFFFAOYSA-N -1 1 431.539 4.212 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000097165214 569403341 /nfs/dbraw/zinc/40/33/41/569403341.db2.gz KWWBDFRYELXANJ-QHCPKHFHSA-N -1 1 437.496 4.324 50 0 IIAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000003408188 569450002 /nfs/dbraw/zinc/45/00/02/569450002.db2.gz QRRLRCLRTDCEGZ-UHFFFAOYSA-N -1 1 426.338 4.483 50 0 IIAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccsc2)CC(=O)O4)cc1O ZINC000217670102 569451257 /nfs/dbraw/zinc/45/12/57/569451257.db2.gz HHLNLDQUCMUJNT-CYBMUJFWSA-N -1 1 436.441 4.382 50 0 biogenic IIAAMM Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc(=O)oc2c1 ZINC000003511463 569452972 /nfs/dbraw/zinc/45/29/72/569452972.db2.gz VZEQYQAOJWARBT-UHFFFAOYSA-N -1 1 449.484 4.259 50 0 IIAAMM COc1ccc(OC)c(CNCc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])c1 ZINC000008932768 569487668 /nfs/dbraw/zinc/48/76/68/569487668.db2.gz NVVLLSNWGPMXBO-UHFFFAOYSA-N -1 1 426.488 4.298 50 0 IIAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1 ZINC000008977187 569492917 /nfs/dbraw/zinc/49/29/17/569492917.db2.gz FPZVNASXHMZHFV-UHFFFAOYSA-N -1 1 436.533 4.158 50 0 IIAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC(F)(F)F ZINC000040287338 569498215 /nfs/dbraw/zinc/49/82/15/569498215.db2.gz WETWDLADELAXJG-SFHVURJKSA-N -1 1 446.385 4.186 50 0 IIAAMM CCCCC(=O)N[C@@]([N-]c1nc2c(cc(C)cc2C)s1)(C(=O)OCC)C(F)(F)F ZINC000009111579 569502324 /nfs/dbraw/zinc/50/23/24/569502324.db2.gz CBNAEDYPLDQSSM-GOSISDBHSA-N -1 1 431.480 4.453 50 0 IIAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)c3cc4c(s3)CCC4)c2)cc1 ZINC000009139333 569507200 /nfs/dbraw/zinc/50/72/00/569507200.db2.gz FPOABFOIQGRQHC-UHFFFAOYSA-N -1 1 444.534 4.004 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000009415429 569532234 /nfs/dbraw/zinc/53/22/34/569532234.db2.gz XZTUEQUWJPDGAG-IBGZPJMESA-N -1 1 449.532 4.075 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccc(OC)c3)c2)cc1 ZINC000009444295 569535741 /nfs/dbraw/zinc/53/57/41/569535741.db2.gz VAVWFLWMXGZNHJ-UHFFFAOYSA-N -1 1 446.912 4.410 50 0 IIAAMM CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000009491538 569540388 /nfs/dbraw/zinc/54/03/88/569540388.db2.gz NYUHINLFWAHCLN-UHFFFAOYSA-N -1 1 426.460 4.378 50 0 IIAAMM CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1c1cccs1 ZINC000009781727 569567644 /nfs/dbraw/zinc/56/76/44/569567644.db2.gz GTWNKGFNAICFLG-FQEVSTJZSA-N -1 1 425.535 4.247 50 0 IIAAMM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022853457 520581984 /nfs/dbraw/zinc/58/19/84/520581984.db2.gz UOKRDLKBESOFIG-QGZVFWFLSA-N -1 1 448.976 4.077 50 0 IIAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1)[nH]c1c2C(=O)CCC1 ZINC000020990561 523845506 /nfs/dbraw/zinc/84/55/06/523845506.db2.gz YEAHSYQZGNUIRP-UHFFFAOYSA-N -1 1 425.510 4.009 50 0 IIAAMM Cc1ccc(C)c(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1 ZINC000021885416 524162905 /nfs/dbraw/zinc/16/29/05/524162905.db2.gz GMTJJKBJZXLCSN-UHFFFAOYSA-N -1 1 440.912 4.053 50 0 IIAAMM COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)sc2c1 ZINC000012605879 525674400 /nfs/dbraw/zinc/67/44/00/525674400.db2.gz QDTYXEQQEVNNFM-UHFFFAOYSA-N -1 1 439.518 4.358 50 0 IIAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc(F)cc1 ZINC000012604737 527234728 /nfs/dbraw/zinc/23/47/28/527234728.db2.gz NUTYVANBJFXGGF-UHFFFAOYSA-N -1 1 442.468 4.040 50 0 IIAAMM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)[N-]Cc2cccs2)o1 ZINC000035597448 527332739 /nfs/dbraw/zinc/33/27/39/527332739.db2.gz SFPROKLRVGMRHP-UHFFFAOYSA-N -1 1 430.429 4.091 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 ZINC000009569383 535401742 /nfs/dbraw/zinc/40/17/42/535401742.db2.gz KQJONKGSXLEDGT-UHFFFAOYSA-N -1 1 426.494 4.072 50 0 IIAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000000825807 555565073 /nfs/dbraw/zinc/56/50/73/555565073.db2.gz HDXNAHDUIZMOSY-UHFFFAOYSA-N -1 1 449.937 4.176 50 0 IIAAMM Cn1cc(Br)c(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000001037588 555608666 /nfs/dbraw/zinc/60/86/66/555608666.db2.gz JTWQUFYQVVRJEY-UHFFFAOYSA-N -1 1 426.723 4.304 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000001042293 555610059 /nfs/dbraw/zinc/61/00/59/555610059.db2.gz COYNQCRZAVZOQY-UHFFFAOYSA-N -1 1 430.551 4.213 50 0 IIAAMM O=S(=O)([N-]Cc1ccc(F)cc1F)c1cc(Br)c(Br)s1 ZINC000001043508 555610615 /nfs/dbraw/zinc/61/06/15/555610615.db2.gz GNRGOCJWUUUBKW-UHFFFAOYSA-N -1 1 447.120 4.030 50 0 IIAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2ccccc2c1 ZINC000001049437 555612470 /nfs/dbraw/zinc/61/24/70/555612470.db2.gz RHMKQDYVYCWMMT-UHFFFAOYSA-N -1 1 444.578 4.205 50 0 IIAAMM Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001126145 555640788 /nfs/dbraw/zinc/64/07/88/555640788.db2.gz KDKDKTNNIMHWRJ-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c3cccc(c23)C1=O ZINC000008715825 556202042 /nfs/dbraw/zinc/20/20/42/556202042.db2.gz FVNAIQNLRZVKGV-UHFFFAOYSA-N -1 1 431.311 4.383 50 0 IIAAMM Cc1nnc([N-]C(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)s1 ZINC000028403389 556453693 /nfs/dbraw/zinc/45/36/93/556453693.db2.gz QBRKZEJPRMFJMJ-UHFFFAOYSA-N -1 1 440.323 4.083 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)c1 ZINC000028517342 556456434 /nfs/dbraw/zinc/45/64/34/556456434.db2.gz VACKTCAREHTGQV-UHFFFAOYSA-N -1 1 435.549 4.304 50 0 IIAAMM O=C([O-])CC1(CC(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)CCCCC1 ZINC000029006756 556465290 /nfs/dbraw/zinc/46/52/90/556465290.db2.gz KTFZVWATFCZFAO-UHFFFAOYSA-N -1 1 430.526 4.241 50 0 IIAAMM Cc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000015895829 556562232 /nfs/dbraw/zinc/56/22/32/556562232.db2.gz MTALAWSONLTDED-UHFFFAOYSA-N -1 1 446.326 4.206 50 0 IIAAMM Cc1ccc(NC(=O)c2ccoc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000016225996 556592400 /nfs/dbraw/zinc/59/24/00/556592400.db2.gz BKJXBKZLNBWIMT-UHFFFAOYSA-N -1 1 435.299 4.404 50 0 IIAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2OC)s1 ZINC000033007909 556656739 /nfs/dbraw/zinc/65/67/39/556656739.db2.gz BKRLWRRKMHPBSJ-UHFFFAOYSA-N -1 1 433.555 4.379 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2nn(Cc3ccccc3F)cc2Br)cc1C ZINC000017101924 556666288 /nfs/dbraw/zinc/66/62/88/556666288.db2.gz MJBFACYHTGLLNQ-UHFFFAOYSA-N -1 1 438.322 4.251 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Cc3ccccc3Cl)c2)cc1 ZINC000033023763 556693858 /nfs/dbraw/zinc/69/38/58/556693858.db2.gz HXMDWIUEIBJQJZ-UHFFFAOYSA-N -1 1 430.913 4.331 50 0 IIAAMM O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000002635812 556801308 /nfs/dbraw/zinc/80/13/08/556801308.db2.gz BPPJQMCGAIYJBD-XBXARRHUSA-N -1 1 444.217 4.108 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2nn(Cc3ccc(Cl)cc3)cc2Br)cc1 ZINC000019632562 556833361 /nfs/dbraw/zinc/83/33/61/556833361.db2.gz QDRPHNOQZHFLAZ-UHFFFAOYSA-N -1 1 440.750 4.457 50 0 IIAAMM Cc1nc(SCc2cccc(Cl)c2)[n-]c(=O)c1CC(=O)N1CCc2ccccc2C1 ZINC000023138583 557021721 /nfs/dbraw/zinc/02/17/21/557021721.db2.gz HLHARIXNOXXFNB-UHFFFAOYSA-N -1 1 439.968 4.151 50 0 IIAAMM COc1ccc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[n-]c2=O)cc1Cl ZINC000023138649 557021979 /nfs/dbraw/zinc/02/19/79/557021979.db2.gz JOVAJJBFWYVTGK-UHFFFAOYSA-N -1 1 447.919 4.353 50 0 IIAAMM CC(C)=C1c2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)ccc2N(C)C1=O ZINC000046053910 557027053 /nfs/dbraw/zinc/02/70/53/557027053.db2.gz KIHXMSMHEMGFIS-UHFFFAOYSA-N -1 1 435.343 4.328 50 0 IIAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000046074962 557031498 /nfs/dbraw/zinc/03/14/98/557031498.db2.gz LWRWFKIHJPFHNY-SFHVURJKSA-N -1 1 448.548 4.052 50 0 IIAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000046075514 557031915 /nfs/dbraw/zinc/03/19/15/557031915.db2.gz JSJZELXYINWHKY-KRWDZBQOSA-N -1 1 448.548 4.052 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1ccccc1 ZINC000011665568 557283592 /nfs/dbraw/zinc/28/35/92/557283592.db2.gz LAFXCBPWHUSKGZ-UHFFFAOYSA-N -1 1 433.518 4.321 50 0 IIAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c1=O ZINC000101495651 557289596 /nfs/dbraw/zinc/28/95/96/557289596.db2.gz JDRUVEGCTHVXQH-QGZVFWFLSA-N -1 1 427.551 4.462 50 0 IIAAMM CCCC(=O)N(Cc1ccc(Cl)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101861070 557304016 /nfs/dbraw/zinc/30/40/16/557304016.db2.gz NQZNUVUYXSCNSC-UHFFFAOYSA-N -1 1 449.942 4.304 50 0 IIAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000102288505 557317438 /nfs/dbraw/zinc/31/74/38/557317438.db2.gz UYFNLEIRKYRVGU-RTBURBONSA-N -1 1 446.956 4.124 50 0 IIAAMM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000033253330 557327705 /nfs/dbraw/zinc/32/77/05/557327705.db2.gz VHIKEGPQEXURET-UHFFFAOYSA-N -1 1 446.475 4.490 50 0 IIAAMM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102761038 557385250 /nfs/dbraw/zinc/38/52/50/557385250.db2.gz NGTLWSVKRQPSLZ-WXFUMESZSA-N -1 1 428.488 4.445 50 0 IIAAMM CCOc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)c2)nn1 ZINC000011694201 557393004 /nfs/dbraw/zinc/39/30/04/557393004.db2.gz JJYRGWGLIJZZCI-UHFFFAOYSA-N -1 1 440.525 4.000 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccc(C)c(C)c2)o1)c1nc(C)cs1 ZINC000102814713 557393407 /nfs/dbraw/zinc/39/34/07/557393407.db2.gz JXWDLWAAVCCJEH-MRXNPFEDSA-N -1 1 431.539 4.126 50 0 IIAAMM Cc1c(C(=O)Nc2ccccc2)sc2[n-]c(-c3cc4ccccc4oc3=O)nc(=O)c12 ZINC000008588204 562950701 /nfs/dbraw/zinc/95/07/01/562950701.db2.gz HSENZLWBKNIOGG-UHFFFAOYSA-N -1 1 429.457 4.319 50 0 IIAAMM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000008670412 562960638 /nfs/dbraw/zinc/96/06/38/562960638.db2.gz MRGGLPVOIYGMLU-UHFFFAOYSA-N -1 1 439.518 4.239 50 0 aggregator IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1 ZINC000015882226 568856798 /nfs/dbraw/zinc/85/67/98/568856798.db2.gz AFYNNWHNUQOUJA-UHFFFAOYSA-N -1 1 438.553 4.333 50 0 IIAAMM Cn1cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000227175564 568885763 /nfs/dbraw/zinc/88/57/63/568885763.db2.gz RRBVUHXIOGVLOB-VFNWGFHPSA-N -1 1 449.532 4.492 50 0 IIAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000245240525 568913283 /nfs/dbraw/zinc/91/32/83/568913283.db2.gz ZDTSWYWUPWCDBR-HBMCJLEFSA-N -1 1 448.862 4.089 50 0 IIAAMM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000064979440 569077782 /nfs/dbraw/zinc/07/77/82/569077782.db2.gz BMPOCSWGMYVDPQ-UHFFFAOYSA-N -1 1 441.278 4.361 50 0 IIAAMM CC(C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059700 569096198 /nfs/dbraw/zinc/09/61/98/569096198.db2.gz OSCBDSGMMQSHCB-UHFFFAOYSA-N -1 1 445.928 4.466 50 0 IIAAMM COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000001051912 569176396 /nfs/dbraw/zinc/17/63/96/569176396.db2.gz VPDZTVHRLCXPGY-UHFFFAOYSA-N -1 1 438.505 4.143 50 0 IIAAMM CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1cccnc1 ZINC000079050445 569323189 /nfs/dbraw/zinc/32/31/89/569323189.db2.gz KSIBCJIWTPVEHO-OAQYLSRUSA-N -1 1 439.462 4.487 50 0 IIAAMM CC(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCS1 ZINC000095403688 569364152 /nfs/dbraw/zinc/36/41/52/569364152.db2.gz IHPBYMCSVHTMFE-LJQANCHMSA-N -1 1 439.002 4.354 50 0 IIAAMM CCn1ncc(Cl)c1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002778497 569421111 /nfs/dbraw/zinc/42/11/11/569421111.db2.gz PAWLMLRDBVRFOK-GFCCVEGCSA-N -1 1 447.992 4.171 50 0 IIAAMM CCOC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299216 569468128 /nfs/dbraw/zinc/46/81/28/569468128.db2.gz MKNPSKCHSOVJTK-RWEWTDSWSA-N -1 1 432.432 4.071 50 0 IIAAMM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000008840833 569478411 /nfs/dbraw/zinc/47/84/11/569478411.db2.gz SSXCOIAHAVMITB-UHFFFAOYSA-N -1 1 437.359 4.185 50 0 IIAAMM C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000040145887 569492222 /nfs/dbraw/zinc/49/22/22/569492222.db2.gz VPMHTNDJFCGPDO-QGZVFWFLSA-N -1 1 440.565 4.384 50 0 IIAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000008977167 569492935 /nfs/dbraw/zinc/49/29/35/569492935.db2.gz MDDFSJURJVPVNQ-UHFFFAOYSA-N -1 1 434.876 4.071 50 0 IIAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008991810 569495299 /nfs/dbraw/zinc/49/52/99/569495299.db2.gz LHAUVTCTCMVBMW-UHFFFAOYSA-N -1 1 434.517 4.365 50 0 IIAAMM CCN(CC)c1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009203029 569511195 /nfs/dbraw/zinc/51/11/95/569511195.db2.gz PDRSPEOWJINVKQ-UHFFFAOYSA-N -1 1 431.558 4.081 50 0 IIAAMM Cc1cc(C)nc(SCc2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)n1 ZINC000009421073 569532723 /nfs/dbraw/zinc/53/27/23/569532723.db2.gz DATXLJORRNHNKA-UHFFFAOYSA-N -1 1 439.566 4.073 50 0 IIAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)N1CCc2ccccc2C1 ZINC000009547290 569546348 /nfs/dbraw/zinc/54/63/48/569546348.db2.gz JYNJOCQTWGPVTG-UHFFFAOYSA-N -1 1 427.456 4.129 50 0 biogenic IIAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N1CCc2ccccc2C1 ZINC000009547290 569546349 /nfs/dbraw/zinc/54/63/49/569546349.db2.gz JYNJOCQTWGPVTG-UHFFFAOYSA-N -1 1 427.456 4.129 50 0 biogenic IIAAMM COc1cc(C)ccc1OCCSc1nc(-c2ccccc2Cl)nc2cc(=O)[n-]n21 ZINC000009640819 569555483 /nfs/dbraw/zinc/55/54/83/569555483.db2.gz MMZBUAOGDSKJLL-UHFFFAOYSA-N -1 1 442.928 4.226 50 0 IIAAMM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000010186586 569578413 /nfs/dbraw/zinc/57/84/13/569578413.db2.gz AWVDAAGIVHHDMF-UHFFFAOYSA-N -1 1 443.887 4.287 50 0 IIAAMM CC[C@@H](C)NC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004668606 132272600 /nfs/dbraw/zinc/27/26/00/132272600.db2.gz ZUSVFEIJKOBQEL-GOSISDBHSA-N -1 1 429.586 4.314 50 0 IIAAMM Cc1cccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)CC2)c1C ZINC000009094955 132302558 /nfs/dbraw/zinc/30/25/58/132302558.db2.gz TXWYYMMPHRKNIF-UHFFFAOYSA-N -1 1 449.576 4.067 50 0 IIAAMM CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000009569389 132321831 /nfs/dbraw/zinc/32/18/31/132321831.db2.gz BZVVHCXHUZGEAI-UHFFFAOYSA-N -1 1 437.359 4.185 50 0 IIAAMM CC(C)(C)c1ccccc1OC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000021885392 519060194 /nfs/dbraw/zinc/06/01/94/519060194.db2.gz HDHVHTADXNCAKC-UHFFFAOYSA-N -1 1 434.521 4.080 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccncc3)c2)cc1 ZINC000012630817 521131018 /nfs/dbraw/zinc/13/10/18/521131018.db2.gz GNTBGGMWGRPJLP-UHFFFAOYSA-N -1 1 431.901 4.187 50 0 IIAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000035684057 521165976 /nfs/dbraw/zinc/16/59/76/521165976.db2.gz MSWPLSVWQUBRGC-NRFANRHFSA-N -1 1 437.521 4.477 50 0 IIAAMM CCCCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)s1 ZINC000023363944 521327345 /nfs/dbraw/zinc/32/73/45/521327345.db2.gz YEGJBUFETXDPGB-UHFFFAOYSA-N -1 1 434.518 4.073 50 0 IIAAMM CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000012541835 521407583 /nfs/dbraw/zinc/40/75/83/521407583.db2.gz IDGBGVWAHCANMP-UHFFFAOYSA-N -1 1 430.551 4.220 50 0 IIAAMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(OC)cc1Cl ZINC000022442635 522722423 /nfs/dbraw/zinc/72/24/23/522722423.db2.gz BJWRQLHQEWOUPO-UHFFFAOYSA-N -1 1 446.912 4.410 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc(OC)c1OC ZINC000020580538 522752609 /nfs/dbraw/zinc/75/26/09/522752609.db2.gz PYYQLGVKBFUMPD-UHFFFAOYSA-N -1 1 432.498 4.093 50 0 IIAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012398409 523175921 /nfs/dbraw/zinc/17/59/21/523175921.db2.gz MZOMWSQWXYERKI-UHFFFAOYSA-N -1 1 426.586 4.291 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)c2)c1 ZINC000012540717 524195270 /nfs/dbraw/zinc/19/52/70/524195270.db2.gz URAWJIMAAHLWGH-QGZVFWFLSA-N -1 1 448.548 4.472 50 0 IIAAMM COc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000035910979 524389934 /nfs/dbraw/zinc/38/99/34/524389934.db2.gz LUAUFFGVAHTEQW-QFIPXVFZSA-N -1 1 440.546 4.275 50 0 IIAAMM Cc1cccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1C ZINC000021885420 524705161 /nfs/dbraw/zinc/70/51/61/524705161.db2.gz MHXFRUXMFGRWSN-UHFFFAOYSA-N -1 1 440.912 4.053 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1F ZINC000012180342 525086772 /nfs/dbraw/zinc/08/67/72/525086772.db2.gz PVYPMEWAUHMGOX-UHFFFAOYSA-N -1 1 440.496 4.228 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C ZINC000021807014 525448018 /nfs/dbraw/zinc/44/80/18/525448018.db2.gz CWYBDHUNIMVQMI-UHFFFAOYSA-N -1 1 442.306 4.188 50 0 IIAAMM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc5c(c4)CCCC5)c3)cn2n1 ZINC000012441341 525655169 /nfs/dbraw/zinc/65/51/69/525655169.db2.gz YYXQGXPUZKTVOP-UHFFFAOYSA-N -1 1 448.548 4.393 50 0 IIAAMM Cc1ccc(-n2c(C)nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4C)cc3c2=O)cc1 ZINC000022501107 525895683 /nfs/dbraw/zinc/89/56/83/525895683.db2.gz MEULGCMZUIZBTM-UHFFFAOYSA-N -1 1 433.533 4.420 50 0 IIAAMM CSc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1 ZINC000012605474 526136900 /nfs/dbraw/zinc/13/69/00/526136900.db2.gz GIBDNWUYXAYCAD-UHFFFAOYSA-N -1 1 442.518 4.190 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000012558482 526797687 /nfs/dbraw/zinc/79/76/87/526797687.db2.gz MGTVHKJHRLBYBJ-CKEIUWERSA-N -1 1 433.213 4.097 50 0 IIAAMM O=C(Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1)c1cc2ccccc2o1 ZINC000012128918 527106203 /nfs/dbraw/zinc/10/62/03/527106203.db2.gz QVSKEBBYHUBEHW-UHFFFAOYSA-N -1 1 437.459 4.499 50 0 IIAAMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccc(F)cc1F ZINC000012855027 527130065 /nfs/dbraw/zinc/13/00/65/527130065.db2.gz HEQFRVJWBJZZED-UHFFFAOYSA-N -1 1 438.839 4.377 50 0 IIAAMM O=C(Nc1ccc(Cl)cc1F)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000012583457 527185698 /nfs/dbraw/zinc/18/56/98/527185698.db2.gz BXHLRDOPYGDOHN-UHFFFAOYSA-N -1 1 448.859 4.261 50 0 IIAAMM O=C(Nc1nc(-c2ccncc2)cs1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020571141 527503414 /nfs/dbraw/zinc/50/34/14/527503414.db2.gz SUHXXIASCULXNU-UHFFFAOYSA-N -1 1 436.518 4.258 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000001151323 555656353 /nfs/dbraw/zinc/65/63/53/555656353.db2.gz UYBWLEKZLXNFOS-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM COc1ccc(-n2c3nnc([S-])n3c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000001179594 555671145 /nfs/dbraw/zinc/67/11/45/555671145.db2.gz XIZIVOVBFRJYIP-UHFFFAOYSA-N -1 1 430.533 4.212 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915320 556232130 /nfs/dbraw/zinc/23/21/30/556232130.db2.gz ZNMZCTBQRLPDHG-VBQJREDUSA-N -1 1 433.213 4.097 50 0 IIAAMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)c2c(=O)[n-]c(SCC(C)C)nc2N1 ZINC000013120176 556472226 /nfs/dbraw/zinc/47/22/26/556472226.db2.gz AWVJNFPFVASLHO-KRWDZBQOSA-N -1 1 431.533 4.440 50 0 IIAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2OC)s1 ZINC000033007870 556656806 /nfs/dbraw/zinc/65/68/06/556656806.db2.gz RUIHRBPGHQULOC-UHFFFAOYSA-N -1 1 433.555 4.379 50 0 IIAAMM CCCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)CC)nc3c(OC)c2)cc1 ZINC000033007866 556656878 /nfs/dbraw/zinc/65/68/78/556656878.db2.gz GFRGURGPVSAUHA-UHFFFAOYSA-N -1 1 433.555 4.407 50 0 IIAAMM CC[C@H](C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[n-]1)c1ccccc1 ZINC000012007878 556680767 /nfs/dbraw/zinc/68/07/67/556680767.db2.gz MATZSLPDWLEJKY-KRWDZBQOSA-N -1 1 431.496 4.471 50 0 IIAAMM CCSc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[n-]1 ZINC000012008473 556680989 /nfs/dbraw/zinc/68/09/89/556680989.db2.gz QGBHJXUPXJTUNG-UHFFFAOYSA-N -1 1 435.509 4.197 50 0 IIAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026336 556703314 /nfs/dbraw/zinc/70/33/14/556703314.db2.gz LFCUCONDZVJMCD-UHFFFAOYSA-N -1 1 437.546 4.096 50 0 IIAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000033255734 556895016 /nfs/dbraw/zinc/89/50/16/556895016.db2.gz FVGQPNPUCKBQKG-PMACEKPBSA-N -1 1 440.565 4.033 50 0 IIAAMM CC[C@@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000032948353 557056520 /nfs/dbraw/zinc/05/65/20/557056520.db2.gz MQDBOBCTGGWOPG-SECBINFHSA-N -1 1 441.003 4.165 50 0 IIAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2s1 ZINC000033299016 557074860 /nfs/dbraw/zinc/07/48/60/557074860.db2.gz QINFIQHFPUVFJS-UHFFFAOYSA-N -1 1 444.987 4.243 50 0 IIAAMM COc1ccc(N2OC3=C([O-])N(c4ccc(C)c(C)c4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000100893519 557198900 /nfs/dbraw/zinc/19/89/00/557198900.db2.gz AUDKUVXUPSRQDI-SMIHKQSGSA-N -1 1 428.488 4.363 50 0 IIAAMM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100935304 557202671 /nfs/dbraw/zinc/20/26/71/557202671.db2.gz RHSRUBXZYIKUKT-SMIHKQSGSA-N -1 1 428.488 4.363 50 0 IIAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCCC5)cc3)cn2n1 ZINC000011693574 557232606 /nfs/dbraw/zinc/23/26/06/557232606.db2.gz IVHOUYYWAMMVDN-UHFFFAOYSA-N -1 1 434.521 4.085 50 0 IIAAMM COc1ccccc1CNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 ZINC000101281931 557266979 /nfs/dbraw/zinc/26/69/79/557266979.db2.gz HCWKNZZFDNCAAO-UHFFFAOYSA-N -1 1 438.487 4.066 50 0 IIAAMM CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=S ZINC000101456181 557286720 /nfs/dbraw/zinc/28/67/20/557286720.db2.gz YRACXXCIUYAYHF-GOSISDBHSA-N -1 1 428.558 4.233 50 0 IIAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101628751 557291612 /nfs/dbraw/zinc/29/16/12/557291612.db2.gz KRBLAOIVXKIAPS-PMACEKPBSA-N -1 1 440.565 4.088 50 0 IIAAMM CCc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629403 557291881 /nfs/dbraw/zinc/29/18/81/557291881.db2.gz KPPCPELEIPCDSW-SFTDATJTSA-N -1 1 440.565 4.033 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)C(C)C)nn2c(=O)c1Cc1ccccc1 ZINC000101861059 557303924 /nfs/dbraw/zinc/30/39/24/557303924.db2.gz GMMQXUXZVYDESA-UHFFFAOYSA-N -1 1 449.942 4.159 50 0 IIAAMM Cc1ccc([O-])c(C(=O)c2cnn(C(=O)COc3ccccc3Cc3ccccc3)c2)c1 ZINC000003335765 568746552 /nfs/dbraw/zinc/74/65/52/568746552.db2.gz UFQGCJARIKELKJ-UHFFFAOYSA-N -1 1 426.472 4.438 50 0 IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccncc2)cc1OC ZINC000263586327 568759485 /nfs/dbraw/zinc/75/94/85/568759485.db2.gz SQUPEJGTRNFCLU-HNNXBMFYSA-N -1 1 445.427 4.019 50 0 biogenic IIAAMM Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c(=O)c1Cc1ccccc1 ZINC000006143470 568845684 /nfs/dbraw/zinc/84/56/84/568845684.db2.gz YBRVNQFGXOQQCG-UHFFFAOYSA-N -1 1 433.455 4.419 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1cccc(F)c1 ZINC000015882144 568856533 /nfs/dbraw/zinc/85/65/33/568856533.db2.gz UJTPGZCTIFQHMN-UHFFFAOYSA-N -1 1 426.517 4.464 50 0 IIAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000016690083 568938541 /nfs/dbraw/zinc/93/85/41/568938541.db2.gz VUHXBWPBUFJAKA-KRWDZBQOSA-N -1 1 448.976 4.077 50 0 IIAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c(OC)c1 ZINC000064845271 568972004 /nfs/dbraw/zinc/97/20/04/568972004.db2.gz KDKSSOMBGMUDLJ-UHFFFAOYSA-N -1 1 428.919 4.491 50 0 IIAAMM CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc21 ZINC000065021350 569088793 /nfs/dbraw/zinc/08/87/93/569088793.db2.gz SOGKGAJWRSPFGP-UHFFFAOYSA-N -1 1 449.370 4.284 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014399452 569159020 /nfs/dbraw/zinc/15/90/20/569159020.db2.gz RBCGQWFPXRUFSZ-UHFFFAOYSA-N -1 1 436.961 4.330 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 ZINC000016954584 569167513 /nfs/dbraw/zinc/16/75/13/569167513.db2.gz VPUFBDLQUVTXRV-UHFFFAOYSA-N -1 1 428.535 4.151 50 0 IIAAMM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096115725 569383536 /nfs/dbraw/zinc/38/35/36/569383536.db2.gz CVTHPLCAULCDES-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115725 569383538 /nfs/dbraw/zinc/38/35/38/569383538.db2.gz CVTHPLCAULCDES-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000096116379 569383651 /nfs/dbraw/zinc/38/36/51/569383651.db2.gz BDKMMHQEDRPGOX-HNNXBMFYSA-N -1 1 444.395 4.041 50 0 biogenic IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)cc1 ZINC000003242363 569442661 /nfs/dbraw/zinc/44/26/61/569442661.db2.gz AFFJNXPXNGCHSR-UHFFFAOYSA-N -1 1 439.518 4.358 50 0 IIAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067298709 569468068 /nfs/dbraw/zinc/46/80/68/569468068.db2.gz HFZXORDMDYQZCA-DTOBYCRHSA-N -1 1 432.398 4.298 50 0 IIAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C1 ZINC000008977168 569492981 /nfs/dbraw/zinc/49/29/81/569492981.db2.gz OSNYGPVTNZCYPX-UHFFFAOYSA-N -1 1 432.501 4.432 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3ccsc3n2)cc1 ZINC000009228288 569513568 /nfs/dbraw/zinc/51/35/68/569513568.db2.gz VAGKSEAIGPBODC-UHFFFAOYSA-N -1 1 443.575 4.158 50 0 IIAAMM CN(Cc1nc2ccccc2s1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009338383 569523644 /nfs/dbraw/zinc/52/36/44/569523644.db2.gz RWUSKSRXJXQYAK-UHFFFAOYSA-N -1 1 437.546 4.369 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2C)cc1OC ZINC000009403971 569529581 /nfs/dbraw/zinc/52/95/81/569529581.db2.gz SWZNPTGZWQRALW-UHFFFAOYSA-N -1 1 441.534 4.485 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000009415415 569532238 /nfs/dbraw/zinc/53/22/38/569532238.db2.gz NCBLYQNBTCEQII-GOSISDBHSA-N -1 1 437.496 4.206 50 0 IIAAMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)n1 ZINC000009431763 569534234 /nfs/dbraw/zinc/53/42/34/569534234.db2.gz WPGUIUSYTJWRBK-UHFFFAOYSA-N -1 1 427.939 4.387 50 0 IIAAMM CCC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)C[C@@H]1c1ccco1 ZINC000009489497 569540030 /nfs/dbraw/zinc/54/00/30/569540030.db2.gz JVVVKDPBSDCVJS-OAQYLSRUSA-N -1 1 437.521 4.477 50 0 IIAAMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)cc1C ZINC000009640740 569555433 /nfs/dbraw/zinc/55/54/33/569555433.db2.gz RXVOZSQJEQEIEY-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM Cc1cc(Cl)ccc1OCCSc1nc(-c2ccc(F)cc2)nc2cc(=O)[n-]n21 ZINC000009641139 569555541 /nfs/dbraw/zinc/55/55/41/569555541.db2.gz RCENCUVPEWOMQL-UHFFFAOYSA-N -1 1 430.892 4.357 50 0 IIAAMM Cc1ccc(OCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)cc1Cl ZINC000009641022 569555563 /nfs/dbraw/zinc/55/55/63/569555563.db2.gz YUXKNWCONQYLAW-UHFFFAOYSA-N -1 1 430.892 4.357 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000009931549 569573684 /nfs/dbraw/zinc/57/36/84/569573684.db2.gz RSQKFLRMOYXFMU-INIZCTEOSA-N -1 1 426.460 4.210 50 0 IIAAMM CC(C)CCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 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Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1NC(=O)C1CC1 ZINC000033171089 556882005 /nfs/dbraw/zinc/88/20/05/556882005.db2.gz CNQSWTGSRJXMBW-PQMHYQBVSA-N -1 1 441.484 4.442 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cc(OC)c1 ZINC000033173794 556883895 /nfs/dbraw/zinc/88/38/95/556883895.db2.gz MUMXQJIWBZZFFU-UHFFFAOYSA-N -1 1 447.460 4.283 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)c(OC)c1 ZINC000033173768 556884017 /nfs/dbraw/zinc/88/40/17/556884017.db2.gz KKGKHXUAFJSXBE-UHFFFAOYSA-N -1 1 447.460 4.283 50 0 IIAAMM CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000046017577 557020617 /nfs/dbraw/zinc/02/06/17/557020617.db2.gz GEBSDDILVDMXII-UHFFFAOYSA-N -1 1 427.345 4.207 50 0 IIAAMM CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c2c(c1=O)CCCC2 ZINC000046027524 557023632 /nfs/dbraw/zinc/02/36/32/557023632.db2.gz BAPHFMOCKWQBJO-UHFFFAOYSA-N -1 1 437.565 4.227 50 0 IIAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033276024 557055110 /nfs/dbraw/zinc/05/51/10/557055110.db2.gz NYUWCTJCTBQKMJ-UHFFFAOYSA-N -1 1 439.566 4.256 50 0 IIAAMM CC(=O)Nc1cc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)ccc1C ZINC000033276392 557056488 /nfs/dbraw/zinc/05/64/88/557056488.db2.gz QONJZIDSIZHDDF-UHFFFAOYSA-N -1 1 448.504 4.471 50 0 IIAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(C)cc4C)ccc3n2C)cc1 ZINC000033276996 557057888 /nfs/dbraw/zinc/05/78/88/557057888.db2.gz YENMSFJKNJXMJE-UHFFFAOYSA-N -1 1 448.548 4.018 50 0 IIAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NCCC(C)C)C1)nc2=O ZINC000049421414 557108129 /nfs/dbraw/zinc/10/81/29/557108129.db2.gz PTNRZENNTMTQEY-QGZVFWFLSA-N -1 1 438.597 4.339 50 0 IIAAMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C[C@@H](C)O1 ZINC000000631011 557123210 /nfs/dbraw/zinc/12/32/10/557123210.db2.gz LALPSWVGCIIKMO-IAGOWNOFSA-N -1 1 430.570 4.034 50 0 IIAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000024770608 557165655 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429.270 4.303 50 0 IIAAMM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000021033143 523145970 /nfs/dbraw/zinc/14/59/70/523145970.db2.gz BUMWVKZPWVCQPY-UHFFFAOYSA-N -1 1 441.278 4.361 50 0 IIAAMM CCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000012124329 523739125 /nfs/dbraw/zinc/73/91/25/523739125.db2.gz HOTRXKRRZAXRQJ-UHFFFAOYSA-N -1 1 425.492 4.315 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2N2CCCCC2)cc1 ZINC000012585280 524688600 /nfs/dbraw/zinc/68/86/00/524688600.db2.gz NYBGQLKKXGVXEC-JXFKEZNVSA-N -1 1 443.569 4.081 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(COc4ccccc4)n3)cc2)cc1 ZINC000021702584 525079203 /nfs/dbraw/zinc/07/92/03/525079203.db2.gz VUKDCDOFQZQNKB-UHFFFAOYSA-N -1 1 437.477 4.125 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000012123650 526120561 /nfs/dbraw/zinc/12/05/61/526120561.db2.gz WNSFLAQLEDVXDQ-UHFFFAOYSA-N -1 1 439.475 4.018 50 0 IIAAMM 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CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000143598490 556739960 /nfs/dbraw/zinc/73/99/60/556739960.db2.gz RJMNYYGBCXEPKN-RBZQAINGSA-N -1 1 444.487 4.150 50 0 IIAAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc4c(ccn4CC(C)C)c3)ccc21 ZINC000058009406 556752809 /nfs/dbraw/zinc/75/28/09/556752809.db2.gz PLDMEAAUYJKRAL-UHFFFAOYSA-N -1 1 425.554 4.397 50 0 IIAAMM Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000010656869 556755569 /nfs/dbraw/zinc/75/55/69/556755569.db2.gz KFWNTAOJGJWCAV-UHFFFAOYSA-N -1 1 425.535 4.353 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(Cc4ccc(C)cc4)n3)cc2)cc1 ZINC000033122875 556864097 /nfs/dbraw/zinc/86/40/97/556864097.db2.gz HFBZMMODEHNHOE-UHFFFAOYSA-N -1 1 435.505 4.445 50 0 IIAAMM COc1cccc(CSc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cc(=O)[n-]2)c1 ZINC000023138184 557018629 /nfs/dbraw/zinc/01/86/29/557018629.db2.gz FIGCHQKMYPSRNW-UHFFFAOYSA-N -1 1 433.892 4.045 50 0 IIAAMM COc1ccc(NC(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[n-]c2=O)c(OC)c1 ZINC000023138716 557022122 /nfs/dbraw/zinc/02/21/22/557022122.db2.gz MRUZNDBUZSINLX-OAHLLOKOSA-N -1 1 439.537 4.130 50 0 IIAAMM CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c2c(c1=O)CCCC2 ZINC000046027554 557023473 /nfs/dbraw/zinc/02/34/73/557023473.db2.gz GSOWQHFUFZTLMI-UHFFFAOYSA-N -1 1 441.528 4.057 50 0 IIAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(C)o1 ZINC000046085332 557035736 /nfs/dbraw/zinc/03/57/36/557035736.db2.gz SXEPNEHPKSLVFB-OAQYLSRUSA-N -1 1 437.521 4.477 50 0 IIAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccco4)C2)nc3=O)cc1 ZINC000049421295 557107849 /nfs/dbraw/zinc/10/78/49/557107849.db2.gz YGCBFFYHHCWONA-QGZVFWFLSA-N -1 1 448.548 4.086 50 0 IIAAMM C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)C1 ZINC000049421356 557108107 /nfs/dbraw/zinc/10/81/07/557108107.db2.gz GGCBXVWQDIRCSF-SJLPKXTDSA-N -1 1 436.581 4.127 50 0 IIAAMM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101063838 557219373 /nfs/dbraw/zinc/21/93/73/557219373.db2.gz QCAPIHXQUSPMAK-VXNXHJTFSA-N -1 1 444.487 4.063 50 0 IIAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1 ZINC000024924427 557230283 /nfs/dbraw/zinc/23/02/83/557230283.db2.gz ZUWZGLSTBNNLOC-IBGZPJMESA-N -1 1 444.004 4.379 50 0 IIAAMM CSc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccccc5)nc-4c3c2)cc1 ZINC000101828368 557300156 /nfs/dbraw/zinc/30/01/56/557300156.db2.gz COAMNKNKAXBVSG-UHFFFAOYSA-N -1 1 440.528 4.471 50 0 IIAAMM C[C@@H](NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1)c1ccccc1 ZINC000101828681 557300178 /nfs/dbraw/zinc/30/01/78/557300178.db2.gz TYDIGLRARCEAAP-OAHLLOKOSA-N -1 1 426.451 4.449 50 0 IIAAMM Cc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101877976 557304382 /nfs/dbraw/zinc/30/43/82/557304382.db2.gz YDGCBCCIZIXIQC-UHFFFAOYSA-N -1 1 429.524 4.313 50 0 IIAAMM O=C(Nc1cccc2nsnc21)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000033170530 557326700 /nfs/dbraw/zinc/32/67/00/557326700.db2.gz BXERWMBNIVRSOZ-UHFFFAOYSA-N -1 1 444.925 4.398 50 0 IIAAMM O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000015973791 563020593 /nfs/dbraw/zinc/02/05/93/563020593.db2.gz YSRMTDLWBVJXPN-UHFFFAOYSA-N -1 1 438.530 4.471 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1 ZINC000039006816 563098687 /nfs/dbraw/zinc/09/86/87/563098687.db2.gz SKXUNYLMUZTGRV-UHFFFAOYSA-N -1 1 432.549 4.161 50 0 aggregator IIAAMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnn(C)c3)cc2)c1C ZINC000025310977 568652792 /nfs/dbraw/zinc/65/27/92/568652792.db2.gz NXSHJBQLCJACNX-UHFFFAOYSA-N -1 1 440.569 4.388 50 0 IIAAMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC000006076092 568821024 /nfs/dbraw/zinc/82/10/24/568821024.db2.gz QBHBOXMMKPGXQE-UHFFFAOYSA-N -1 1 430.869 4.091 50 0 IIAAMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N(C)Cc2ccccc2)cc1C ZINC000064843742 568971841 /nfs/dbraw/zinc/97/18/41/568971841.db2.gz OXEBTFJLQDWRLD-UHFFFAOYSA-N -1 1 439.537 4.142 50 0 IIAAMM CCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000065059904 569095705 /nfs/dbraw/zinc/09/57/05/569095705.db2.gz VLHVXELMQROIDA-UHFFFAOYSA-N -1 1 425.510 4.205 50 0 IIAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000016849683 569164540 /nfs/dbraw/zinc/16/45/40/569164540.db2.gz CKGGFMJSWSCTSV-UHFFFAOYSA-N -1 1 443.507 4.244 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000003188985 569441417 /nfs/dbraw/zinc/44/14/17/569441417.db2.gz MGTVHKJHRLBYBJ-CPUCHLNUSA-N -1 1 433.213 4.097 50 0 IIAAMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)no1 ZINC000003214500 569441794 /nfs/dbraw/zinc/44/17/94/569441794.db2.gz SVFZHWYROWFDMM-UHFFFAOYSA-N -1 1 425.388 4.055 50 0 IIAAMM CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)s1 ZINC000003230991 569442317 /nfs/dbraw/zinc/44/23/17/569442317.db2.gz LBICBWVWOCRVQM-UHFFFAOYSA-N -1 1 434.568 4.012 50 0 IIAAMM CCOC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067293263 569467811 /nfs/dbraw/zinc/46/78/11/569467811.db2.gz OJKZYPHUQFBCAK-RWEWTDSWSA-N -1 1 429.432 4.195 50 0 IIAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1cccnc1 ZINC000008826196 569477541 /nfs/dbraw/zinc/47/75/41/569477541.db2.gz URXKKVCEDBNNNV-UHFFFAOYSA-N -1 1 436.320 4.370 50 0 IIAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2C1 ZINC000008977199 569492945 /nfs/dbraw/zinc/49/29/45/569492945.db2.gz UKTYKIWQOCFUNL-UHFFFAOYSA-N -1 1 432.501 4.432 50 0 IIAAMM O=S(=O)([N-]c1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000040152665 569493459 /nfs/dbraw/zinc/49/34/59/569493459.db2.gz BAJDVKVVNCQGFI-JOCHJYFZSA-N -1 1 445.924 4.384 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1OCc1cn2ccccc2n1 ZINC000040152647 569493487 /nfs/dbraw/zinc/49/34/87/569493487.db2.gz VWVVBWABSVLGOL-UHFFFAOYSA-N -1 1 443.550 4.401 50 0 IIAAMM O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)c1 ZINC000040312869 569498931 /nfs/dbraw/zinc/49/89/31/569498931.db2.gz SESSQKLHUSCRIH-GOSISDBHSA-N -1 1 441.285 4.050 50 0 biogenic IIAAMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc2N1C(=O)C1CCC1 ZINC000009152548 569507840 /nfs/dbraw/zinc/50/78/40/569507840.db2.gz WHXYVVXRHLIMFV-CYBMUJFWSA-N -1 1 449.370 4.328 50 0 IIAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009167505 569509019 /nfs/dbraw/zinc/50/90/19/569509019.db2.gz SANQGBHHMQEPGA-UHFFFAOYSA-N -1 1 440.924 4.442 50 0 IIAAMM Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)[n-]c(=O)c1C ZINC000009453965 569536664 /nfs/dbraw/zinc/53/66/64/569536664.db2.gz UEVIRNGMJAVHDE-QGZVFWFLSA-N -1 1 442.541 4.057 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)c2)cc1 ZINC000009509497 569542596 /nfs/dbraw/zinc/54/25/96/569542596.db2.gz UELVPWQJWFQNNB-UHFFFAOYSA-N -1 1 448.500 4.463 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1 ZINC000009511944 569542872 /nfs/dbraw/zinc/54/28/72/569542872.db2.gz LWABCNUZRYORGB-UHFFFAOYSA-N -1 1 446.912 4.167 50 0 IIAAMM Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)c1 ZINC000009640746 569555462 /nfs/dbraw/zinc/55/54/62/569555462.db2.gz UMZWNWQNZNLQHL-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000009660371 569556733 /nfs/dbraw/zinc/55/67/33/569556733.db2.gz UOIORIRQRWUMQA-UHFFFAOYSA-N -1 1 441.491 4.093 50 0 IIAAMM CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009712491 569562226 /nfs/dbraw/zinc/56/22/26/569562226.db2.gz NJNLIMQILWNTMY-UHFFFAOYSA-N -1 1 449.576 4.360 50 0 IIAAMM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009714971 569562987 /nfs/dbraw/zinc/56/29/87/569562987.db2.gz BHEQUFABCHJLHD-UHFFFAOYSA-N -1 1 444.896 4.164 50 0 IIAAMM CCCCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000013591332 132351294 /nfs/dbraw/zinc/35/12/94/132351294.db2.gz AXSNGHAVDXRFPZ-RLWLMLJZSA-N -1 1 448.567 4.103 50 0 IIAAMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000022412219 521529181 /nfs/dbraw/zinc/52/91/81/521529181.db2.gz DFPVACFXBMHZLV-UHFFFAOYSA-N -1 1 439.493 4.308 50 0 IIAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000012604675 524323492 /nfs/dbraw/zinc/32/34/92/524323492.db2.gz YCEUPLRDODYAMQ-UHFFFAOYSA-N -1 1 430.551 4.213 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2N2CCCCC2)cc1 ZINC000012604590 524689943 /nfs/dbraw/zinc/68/99/43/524689943.db2.gz MRVIUYNDSRCMRF-UHFFFAOYSA-N -1 1 443.569 4.225 50 0 IIAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)c3cccc4ncccc43)c2)cc1 ZINC000012521318 524696258 /nfs/dbraw/zinc/69/62/58/524696258.db2.gz UJRYZYJJUXMMIC-UHFFFAOYSA-N -1 1 449.488 4.002 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)c2)cc1 ZINC000022601363 525305494 /nfs/dbraw/zinc/30/54/94/525305494.db2.gz DTVPUTQPOCTXTE-UHFFFAOYSA-N -1 1 445.544 4.476 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)ccc1F ZINC000012781217 525421745 /nfs/dbraw/zinc/42/17/45/525421745.db2.gz RUYQDIVMFZNDJT-UHFFFAOYSA-N -1 1 434.518 4.162 50 0 IIAAMM CCOC(=O)c1c(NC(=O)CC([O-])(C(F)(F)F)C(F)(F)F)sc2c1CC[C@@H](C)C2 ZINC000001445865 555698756 /nfs/dbraw/zinc/69/87/56/555698756.db2.gz OHJPSOQWPDQSIE-MRVPVSSYSA-N -1 1 447.397 4.234 50 0 IIAAMM COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccccc21 ZINC000002184802 555754839 /nfs/dbraw/zinc/75/48/39/555754839.db2.gz IVMKBJFIYHXGNL-UHFFFAOYSA-N -1 1 425.462 4.490 50 0 IIAAMM COC(=O)[C@@]([N-]c1nc(C)cs1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002284212 555765306 /nfs/dbraw/zinc/76/53/06/555765306.db2.gz LPPIIVNZHNOVOX-AWEZNQCLSA-N -1 1 442.246 4.032 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)c(C)c1 ZINC000002871140 555849649 /nfs/dbraw/zinc/84/96/49/555849649.db2.gz UTCJKACSJZMWKP-UHFFFAOYSA-N -1 1 438.505 4.394 50 0 IIAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000002886334 555858084 /nfs/dbraw/zinc/85/80/84/555858084.db2.gz AKZPPWVKZPJCIU-UHFFFAOYSA-N -1 1 448.591 4.319 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000034898231 555927913 /nfs/dbraw/zinc/92/79/13/555927913.db2.gz MGTVHKJHRLBYBJ-JJRVBVJISA-N -1 1 433.213 4.097 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915346 556232475 /nfs/dbraw/zinc/23/24/75/556232475.db2.gz TVXBNNHLJSPBRH-JJRVBVJISA-N -1 1 433.213 4.097 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915347 556232584 /nfs/dbraw/zinc/23/25/84/556232584.db2.gz TVXBNNHLJSPBRH-CKEIUWERSA-N -1 1 433.213 4.097 50 0 IIAAMM Cc1c(CC(=O)NCCC(c2ccccc2)c2ccccc2)c(=O)oc2cc(O)cc([O-])c12 ZINC000013576108 556525857 /nfs/dbraw/zinc/52/58/57/556525857.db2.gz IDNDQFDQOLHSIB-UHFFFAOYSA-N -1 1 443.499 4.394 50 0 IIAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000015434375 556527606 /nfs/dbraw/zinc/52/76/06/556527606.db2.gz ZUJPLBCOBVTALQ-UHFFFAOYSA-N -1 1 437.565 4.418 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000013597551 556532364 /nfs/dbraw/zinc/53/23/64/556532364.db2.gz ZNMZCTBQRLPDHG-CKEIUWERSA-N -1 1 433.213 4.097 50 0 IIAAMM COc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000015590878 556536418 /nfs/dbraw/zinc/53/64/18/556536418.db2.gz VMYSNDJANSICRG-UHFFFAOYSA-N -1 1 430.913 4.079 50 0 IIAAMM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000016284973 556597439 /nfs/dbraw/zinc/59/74/39/556597439.db2.gz SJNYDHRFLGIFRZ-UHFFFAOYSA-N -1 1 438.549 4.351 50 0 IIAAMM CSc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[n-]1 ZINC000011855013 556662176 /nfs/dbraw/zinc/66/21/76/556662176.db2.gz RCUHJWSHGLFNOS-UHFFFAOYSA-N -1 1 437.550 4.275 50 0 IIAAMM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000032930136 556673464 /nfs/dbraw/zinc/67/34/64/556673464.db2.gz ZRJGTVLLRAVWBE-INIZCTEOSA-N -1 1 428.485 4.341 50 0 IIAAMM COCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000058306855 556779032 /nfs/dbraw/zinc/77/90/32/556779032.db2.gz IUAFHNQKEOLLLV-UHFFFAOYSA-N -1 1 443.477 4.003 50 0 IIAAMM O=C(COC(=O)c1ccccc1Oc1ccccc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000003380180 556813817 /nfs/dbraw/zinc/81/38/17/556813817.db2.gz RKQXKWBFDQUXOS-UHFFFAOYSA-N -1 1 441.386 4.194 50 0 IIAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cc1 ZINC000033173888 556883982 /nfs/dbraw/zinc/88/39/82/556883982.db2.gz HPDQIPDWTNQSHR-UHFFFAOYSA-N -1 1 445.444 4.053 50 0 IIAAMM CCCSc1nc(=O)c2sc3nc(N4CCOCC4)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000020330542 557008536 /nfs/dbraw/zinc/00/85/36/557008536.db2.gz PJBRFYCJSDJDPC-UHFFFAOYSA-N -1 1 446.598 4.135 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c1C ZINC000046027402 557023217 /nfs/dbraw/zinc/02/32/17/557023217.db2.gz YWWUCEHNOQFUIQ-UHFFFAOYSA-N -1 1 437.565 4.052 50 0 IIAAMM CC(=O)Nc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)c1C ZINC000033276390 557056347 /nfs/dbraw/zinc/05/63/47/557056347.db2.gz NBAVIBNZJZPLDQ-UHFFFAOYSA-N -1 1 448.504 4.471 50 0 IIAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2s1 ZINC000033299059 557075284 /nfs/dbraw/zinc/07/52/84/557075284.db2.gz ZMZMUFPBGTTXNL-UHFFFAOYSA-N -1 1 444.987 4.243 50 0 IIAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1 ZINC000017903183 557127682 /nfs/dbraw/zinc/12/76/82/557127682.db2.gz ABRXGICVXKYSSG-UHFFFAOYSA-N -1 1 441.940 4.338 50 0 IIAAMM O=C1[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1cc(C(F)(F)F)ccc1Cl ZINC000101257907 557265090 /nfs/dbraw/zinc/26/50/90/557265090.db2.gz XJTDVSXZTNHNDM-HIFRSBDPSA-N -1 1 429.181 4.305 50 0 IIAAMM CCc1ccc(-n2nc3c4cc(C(=O)N5C[C@@H](C)C[C@H](C)C5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282432 557267404 /nfs/dbraw/zinc/26/74/04/557267404.db2.gz YTVSMOWFUUTGIS-IRXDYDNUSA-N -1 1 428.536 4.499 50 0 IIAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5cccs5)ccc4[n-]cc-3c2=O)cc1C ZINC000101828012 557299787 /nfs/dbraw/zinc/29/97/87/557299787.db2.gz UKVLFNWLAXWDKI-UHFFFAOYSA-N -1 1 428.517 4.427 50 0 IIAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccc(F)cc1F ZINC000009138580 562967789 /nfs/dbraw/zinc/96/77/89/562967789.db2.gz NIKNCBGJZHDXRG-UHFFFAOYSA-N -1 1 438.839 4.377 50 0 IIAAMM O=C(NCc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006146795 568846263 /nfs/dbraw/zinc/84/62/63/568846263.db2.gz BCOSTDIWYIJCIE-UHFFFAOYSA-N -1 1 436.867 4.349 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1 ZINC000015882196 568856728 /nfs/dbraw/zinc/85/67/28/568856728.db2.gz ZFKTYFMQJJLFDI-UHFFFAOYSA-N -1 1 438.553 4.189 50 0 IIAAMM O=S(=O)([N-]c1cccc(OCc2ccc(F)cc2)c1)c1ccc2c(c1)OCCCO2 ZINC000026544091 568880310 /nfs/dbraw/zinc/88/03/10/568880310.db2.gz DFNCWPIWKNGFEV-UHFFFAOYSA-N -1 1 429.469 4.367 50 0 IIAAMM CNC(=O)c1sc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2c1OC ZINC000064755668 568951198 /nfs/dbraw/zinc/95/11/98/568951198.db2.gz CLZIVCJCSHXFCP-UHFFFAOYSA-N -1 1 432.567 4.269 50 0 IIAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cc2C1=O ZINC000065241612 569118917 /nfs/dbraw/zinc/11/89/17/569118917.db2.gz QTTVBZLSJZLGRE-UHFFFAOYSA-N -1 1 441.484 4.492 50 0 IIAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOCCOc1ccccc1 ZINC000020228612 569356964 /nfs/dbraw/zinc/35/69/64/569356964.db2.gz VYMPCFUNWQUFHS-XMHGGMMESA-N -1 1 431.535 4.499 50 0 IIAAMM CC(C)n1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cn1 ZINC000096114183 569382773 /nfs/dbraw/zinc/38/27/73/569382773.db2.gz SCHOYQFWXHFROD-INIZCTEOSA-N -1 1 432.432 4.090 50 0 biogenic IIAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1O ZINC000096116105 569383589 /nfs/dbraw/zinc/38/35/89/569383589.db2.gz WPTILOUEFDZEIH-OAHLLOKOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1 ZINC000096232055 569387694 /nfs/dbraw/zinc/38/76/94/569387694.db2.gz NJKUNRYRAPUWCH-INIZCTEOSA-N -1 1 436.386 4.005 50 0 IIAAMM O=C(CCC(=O)c1ccc(F)cc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000002636376 569413047 /nfs/dbraw/zinc/41/30/47/569413047.db2.gz HTXPAWZSYTXDCA-UHFFFAOYSA-N -1 1 436.464 4.497 50 0 IIAAMM O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000003211077 569441753 /nfs/dbraw/zinc/44/17/53/569441753.db2.gz AJWNDSSHDNUDCS-UHFFFAOYSA-N -1 1 434.930 4.122 50 0 IIAAMM COC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067294295 569467838 /nfs/dbraw/zinc/46/78/38/569467838.db2.gz CXDXFBINBSNFGX-RWEWTDSWSA-N -1 1 429.432 4.113 50 0 IIAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067298725 569468065 /nfs/dbraw/zinc/46/80/65/569468065.db2.gz HOJQECRGEZFPMN-IDICYNCBSA-N -1 1 432.398 4.298 50 0 IIAAMM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1=O ZINC000009549945 569546665 /nfs/dbraw/zinc/54/66/65/569546665.db2.gz IUKPNDVKOGJBMF-OAQYLSRUSA-N -1 1 425.897 4.181 50 0 IIAAMM O=c1cc2nc(-c3ccc(F)cc3)nc(SCc3cccc(Br)c3)n2[n-]1 ZINC000009641161 569555631 /nfs/dbraw/zinc/55/56/31/569555631.db2.gz YXFNQBUNGKUTHY-UHFFFAOYSA-N -1 1 431.290 4.279 50 0 IIAAMM Cc1cc(C)cc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[n-]n32)c1 ZINC000009641490 569555756 /nfs/dbraw/zinc/55/57/56/569555756.db2.gz DNNPKFUFFAVLHR-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM CC(C)(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000020442701 519050016 /nfs/dbraw/zinc/05/00/16/519050016.db2.gz OZIJCCMDTWRUDG-QTISVLPJSA-N -1 1 434.536 4.211 50 0 IIAAMM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc21 ZINC000020509686 519636018 /nfs/dbraw/zinc/63/60/18/519636018.db2.gz ZVVZKUIGPXPPNJ-NSHDSACASA-N -1 1 430.473 4.353 50 0 IIAAMM CC(=O)NCc1ccc(-c2csc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)n2)o1 ZINC000022280737 519674390 /nfs/dbraw/zinc/67/43/90/519674390.db2.gz MHKOJSBIIOYNLJ-UHFFFAOYSA-N -1 1 441.900 4.335 50 0 IIAAMM CC(=O)Nc1ccc(NC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)cc1 ZINC000012896304 519722719 /nfs/dbraw/zinc/72/27/19/519722719.db2.gz KOWUNORDDLYHFY-UHFFFAOYSA-N -1 1 444.443 4.142 50 0 biogenic IIAAMM CC(=O)Nc1ccc(NC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000012896304 519722722 /nfs/dbraw/zinc/72/27/22/519722722.db2.gz KOWUNORDDLYHFY-UHFFFAOYSA-N -1 1 444.443 4.142 50 0 biogenic IIAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012508148 526776928 /nfs/dbraw/zinc/77/69/28/526776928.db2.gz XLPNCIZPOQERBB-JXFKEZNVSA-N -1 1 442.537 4.011 50 0 IIAAMM O=S(=O)([N-]C[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000020954634 527222128 /nfs/dbraw/zinc/22/21/28/527222128.db2.gz LDJHMJJSLJLJJC-FQEVSTJZSA-N -1 1 434.533 4.104 50 0 IIAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(F)cc1 ZINC000001122263 555638565 /nfs/dbraw/zinc/63/85/65/555638565.db2.gz WSEHTDBXVMRCOO-UHFFFAOYSA-N -1 1 440.905 4.081 50 0 IIAAMM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001129085 555643188 /nfs/dbraw/zinc/64/31/88/555643188.db2.gz LMRMQYXMVXLSKA-HXUWFJFHSA-N -1 1 430.913 4.467 50 0 IIAAMM COCCCNC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000002852897 555840191 /nfs/dbraw/zinc/84/01/91/555840191.db2.gz IXHFIHSNFLUSRQ-UHFFFAOYSA-N -1 1 448.397 4.117 50 0 IIAAMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(OC)c1 ZINC000002873618 555850683 /nfs/dbraw/zinc/85/06/83/555850683.db2.gz XARMAQVXDCDPDF-UHFFFAOYSA-N -1 1 440.521 4.374 50 0 IIAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000014224000 556393775 /nfs/dbraw/zinc/39/37/75/556393775.db2.gz GOPKTQZPOIRANR-UHFFFAOYSA-N -1 1 430.551 4.159 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)c1 ZINC000015869474 556559976 /nfs/dbraw/zinc/55/99/76/556559976.db2.gz GMZUALSDRHGZQA-UHFFFAOYSA-N -1 1 434.561 4.452 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000016124644 556584307 /nfs/dbraw/zinc/58/43/07/556584307.db2.gz JWZYMFHHFAWQNF-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([NH+]2CCCCCC2)cc1C(=O)[O-] ZINC000033007306 556655774 /nfs/dbraw/zinc/65/57/74/556655774.db2.gz OIRSYNSMVJNZEQ-UHFFFAOYSA-N -1 1 438.933 4.228 50 0 IIAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2OC)s1 ZINC000033007876 556656797 /nfs/dbraw/zinc/65/67/97/556656797.db2.gz TYXIDXPXTZWBSW-UHFFFAOYSA-N -1 1 425.919 4.108 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000011854410 556661781 /nfs/dbraw/zinc/66/17/81/556661781.db2.gz LTXWWTANGXSGKV-UHFFFAOYSA-N -1 1 445.426 4.264 50 0 IIAAMM CCSc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[n-]1 ZINC000011854489 556661797 /nfs/dbraw/zinc/66/17/97/556661797.db2.gz ZZCYIOXKOGKONR-UHFFFAOYSA-N -1 1 437.550 4.357 50 0 IIAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)c(OC)c1 ZINC000067190130 556841925 /nfs/dbraw/zinc/84/19/25/556841925.db2.gz BQSLCSCJPGGJFC-LCUIJRPUSA-N -1 1 431.448 4.344 50 0 IIAAMM CCCCN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC000033253362 556893793 /nfs/dbraw/zinc/89/37/93/556893793.db2.gz AAWJQZIPNDFYFA-UHFFFAOYSA-N -1 1 426.922 4.084 50 0 IIAAMM CCCN(CCC)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC000033253497 556893987 /nfs/dbraw/zinc/89/39/87/556893987.db2.gz QSPKIMZMRCQCDD-UHFFFAOYSA-N -1 1 440.949 4.474 50 0 IIAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1)Nc1nc2ccccc2s1 ZINC000023138058 557018302 /nfs/dbraw/zinc/01/83/02/557018302.db2.gz QXRYZOUUAJUDCV-UHFFFAOYSA-N -1 1 426.498 4.405 50 0 IIAAMM COc1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)cc1Cl ZINC000023138091 557018313 /nfs/dbraw/zinc/01/83/13/557018313.db2.gz BGXWRAAQDWGUPD-UHFFFAOYSA-N -1 1 433.892 4.045 50 0 IIAAMM Cc1nc(SCc2cccc(Cl)c2)[n-]c(=O)c1CC(=O)NCCc1ccc(F)cc1 ZINC000023138580 557021590 /nfs/dbraw/zinc/02/15/90/557021590.db2.gz NLILFUXJZCTOTF-UHFFFAOYSA-N -1 1 445.947 4.065 50 0 IIAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)c1 ZINC000046027443 557023430 /nfs/dbraw/zinc/02/34/30/557023430.db2.gz GTDAWQOQJVZFNI-UHFFFAOYSA-N -1 1 437.565 4.052 50 0 IIAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)nn1 ZINC000017315646 557056570 /nfs/dbraw/zinc/05/65/70/557056570.db2.gz CQLZMBDMDLHWBB-UHFFFAOYSA-N -1 1 434.315 4.106 50 0 IIAAMM CC(=O)Nc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)no2)c1 ZINC000033276448 557056629 /nfs/dbraw/zinc/05/66/29/557056629.db2.gz OHBHTVXHJWYXOP-UHFFFAOYSA-N -1 1 448.504 4.471 50 0 IIAAMM CC(=O)Nc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1 ZINC000033276451 557056706 /nfs/dbraw/zinc/05/67/06/557056706.db2.gz FNOQIPNSKSSBKB-UHFFFAOYSA-N -1 1 448.504 4.471 50 0 IIAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000033299040 557075349 /nfs/dbraw/zinc/07/53/49/557075349.db2.gz RTHSIBAAPFBOOU-UHFFFAOYSA-N -1 1 448.950 4.073 50 0 IIAAMM Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000023425980 557092172 /nfs/dbraw/zinc/09/21/72/557092172.db2.gz LZDAYJIZYRRHJY-UHFFFAOYSA-N -1 1 444.896 4.400 50 0 IIAAMM CC(C)CCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421052 557107453 /nfs/dbraw/zinc/10/74/53/557107453.db2.gz ROEFGZSOJJRQCL-UHFFFAOYSA-N -1 1 442.560 4.169 50 0 IIAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4ccco4)C2)nc3=O)cc1 ZINC000049421294 557107841 /nfs/dbraw/zinc/10/78/41/557107841.db2.gz YGCBFFYHHCWONA-KRWDZBQOSA-N -1 1 448.548 4.086 50 0 IIAAMM CCCCCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000018119957 557238290 /nfs/dbraw/zinc/23/82/90/557238290.db2.gz AXSNGHAVDXRFPZ-QFQXNSOFSA-N -1 1 448.567 4.103 50 0 IIAAMM CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(F)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101827651 557299484 /nfs/dbraw/zinc/29/94/84/557299484.db2.gz SVUCTMHQRHTTPE-UHFFFAOYSA-N -1 1 440.478 4.450 50 0 IIAAMM O=C(NCc1ccc(Cl)cc1)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828451 557300163 /nfs/dbraw/zinc/30/01/63/557300163.db2.gz FQXZJCPYGWRYSY-UHFFFAOYSA-N -1 1 428.879 4.402 50 0 IIAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102735632 557373218 /nfs/dbraw/zinc/37/32/18/557373218.db2.gz PUCZXUVHKHVZFL-WXFUMESZSA-N -1 1 444.487 4.063 50 0 IIAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)cn2n1 ZINC000011693576 557391862 /nfs/dbraw/zinc/39/18/62/557391862.db2.gz HGNKAYRFKOZEPA-UHFFFAOYSA-N -1 1 448.426 4.225 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nc2ccccc2n1C(F)F)c1nc(C)cs1 ZINC000102905646 557411669 /nfs/dbraw/zinc/41/16/69/557411669.db2.gz WVFNOWQHMFIHKX-CQSZACIVSA-N -1 1 425.482 4.204 50 0 IIAAMM Cc1ccc(F)c(S(=O)(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000225697850 557765967 /nfs/dbraw/zinc/76/59/67/557765967.db2.gz NMLQZMVHMILGDO-UHFFFAOYSA-N -1 1 439.100 4.166 50 0 IIAAMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)c(C)c1 ZINC000008603075 562955950 /nfs/dbraw/zinc/95/59/50/562955950.db2.gz VDEUACMKYHUPOY-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(F)cc1 ZINC000008609953 562958000 /nfs/dbraw/zinc/95/80/00/562958000.db2.gz NMLFQBSTLNITGK-UHFFFAOYSA-N -1 1 426.517 4.464 50 0 aggregator IIAAMM CCc1cc(=O)[n-]c(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(OC)cc2)n1 ZINC000044389363 563122053 /nfs/dbraw/zinc/12/20/53/563122053.db2.gz HRZCZYCMCWRPAC-UHFFFAOYSA-N -1 1 430.468 4.250 50 0 IIAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1 ZINC000003429039 568748940 /nfs/dbraw/zinc/74/89/40/568748940.db2.gz BLQBJGPXZRXFBI-UHFFFAOYSA-N -1 1 448.466 4.365 50 0 IIAAMM COc1c2c(cc([C@H]3SC(C)=Nc4c3c(=O)[n-]n4C3CCCCC3)c1OC)OCO2 ZINC000085411770 568818011 /nfs/dbraw/zinc/81/80/11/568818011.db2.gz UTCLVLRSIZTRNG-LJQANCHMSA-N -1 1 431.514 4.314 50 0 IIAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC4CCCC4)CC2)nc3=O)c1 ZINC000064611787 568941594 /nfs/dbraw/zinc/94/15/94/568941594.db2.gz VUKQSACZVYPJHL-UHFFFAOYSA-N -1 1 436.581 4.235 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1F ZINC000064862273 568974099 /nfs/dbraw/zinc/97/40/99/568974099.db2.gz HGALOURSCVGWAZ-UHFFFAOYSA-N -1 1 431.533 4.340 50 0 IIAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C1=O ZINC000065241569 569118927 /nfs/dbraw/zinc/11/89/27/569118927.db2.gz OCHPWNDIXFXLAJ-UHFFFAOYSA-N -1 1 429.885 4.308 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(F)cc1 ZINC000016838836 569162905 /nfs/dbraw/zinc/16/29/05/569162905.db2.gz AFJFLLYFZVZLJN-UHFFFAOYSA-N -1 1 426.517 4.464 50 0 IIAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccnc(-c4ccco4)c3)cc2)c1 ZINC000225655479 569406489 /nfs/dbraw/zinc/40/64/89/569406489.db2.gz DLKJUBJIVJKYGF-UHFFFAOYSA-N -1 1 447.516 4.381 50 0 IIAAMM O=C(NCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003187332 569441411 /nfs/dbraw/zinc/44/14/11/569441411.db2.gz ZVMJYWFGKYCGQD-UHFFFAOYSA-N -1 1 434.439 4.436 50 0 IIAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc(O)cc2)CC(=O)O4)cc1O ZINC000217671781 569451500 /nfs/dbraw/zinc/45/15/00/569451500.db2.gz DZZMCXMLGHKYLT-HNNXBMFYSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccc(F)c2)CC(=O)O4)cc1O ZINC000217724740 569452279 /nfs/dbraw/zinc/45/22/79/569452279.db2.gz AQKLQKZAWSXBGH-HNNXBMFYSA-N -1 1 448.402 4.460 50 0 biogenic IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2)cc1C ZINC000031940841 569458439 /nfs/dbraw/zinc/45/84/39/569458439.db2.gz OUJWCVVFWZPWRB-QHCPKHFHSA-N -1 1 435.549 4.477 50 0 IIAAMM CCOC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)cc1 ZINC000067299223 569468130 /nfs/dbraw/zinc/46/81/30/569468130.db2.gz SURKKVJROKADOI-RWEWTDSWSA-N -1 1 432.432 4.071 50 0 IIAAMM Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000040108863 569488518 /nfs/dbraw/zinc/48/85/18/569488518.db2.gz HZRLDFQISIEPIU-JWTNVVGKSA-N -1 1 426.538 4.130 50 0 IIAAMM O=C(c1ccccc1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000008977460 569493023 /nfs/dbraw/zinc/49/30/23/569493023.db2.gz YBNATGSGPYKIDX-UHFFFAOYSA-N -1 1 444.915 4.478 50 0 IIAAMM COC(=O)[C@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1ccc(C)cc1)C(F)(F)F ZINC000009090035 569500987 /nfs/dbraw/zinc/50/09/87/569500987.db2.gz DTVMUTPAYGFGTR-LJQANCHMSA-N -1 1 437.443 4.187 50 0 IIAAMM CCOC(=O)C1=C(NC(=O)c2nc(-c3ccccc3)oc2C)[N-]c2ccccc2N=C1C ZINC000009130840 569506182 /nfs/dbraw/zinc/50/61/82/569506182.db2.gz RRGPHDNNIOHEJD-UHFFFAOYSA-N -1 1 430.464 4.373 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)/C=C/c3cccc(F)c3)c2)cc1 ZINC000009444258 569535781 /nfs/dbraw/zinc/53/57/81/569535781.db2.gz QFSXBVPDHNGOJZ-MDWZMJQESA-N -1 1 426.469 4.287 50 0 IIAAMM O=C(CC1CCCC1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009467476 569538365 /nfs/dbraw/zinc/53/83/65/569538365.db2.gz YCDHQQXYZJHOCU-UHFFFAOYSA-N -1 1 430.526 4.168 50 0 IIAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3N3CCCCCC3)ccc2N1 ZINC000009548773 569546479 /nfs/dbraw/zinc/54/64/79/569546479.db2.gz VSMDJERRHGFYKX-UHFFFAOYSA-N -1 1 433.961 4.406 50 0 IIAAMM Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009640862 569555514 /nfs/dbraw/zinc/55/55/14/569555514.db2.gz HGSUNBYTRSZFLO-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM Cc1ccc(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)cc1Cl ZINC000009640950 569555520 /nfs/dbraw/zinc/55/55/20/569555520.db2.gz IBGURWUEDWKKIA-UHFFFAOYSA-N -1 1 430.892 4.357 50 0 IIAAMM COc1cc(C)ccc1OCCSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21 ZINC000009640895 569555573 /nfs/dbraw/zinc/55/55/73/569555573.db2.gz DKVQWHYRTKOTDQ-UHFFFAOYSA-N -1 1 442.928 4.226 50 0 IIAAMM O=C(Cc1sc(NNc2ccccc2)nc1[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000009778221 569567264 /nfs/dbraw/zinc/56/72/64/569567264.db2.gz HSMVOBUQBSIAJW-FQEVSTJZSA-N -1 1 432.505 4.422 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1F ZINC000035684010 519638265 /nfs/dbraw/zinc/63/82/65/519638265.db2.gz GAJVFOHVODYGEH-QHCPKHFHSA-N -1 1 437.496 4.324 50 0 IIAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)nn1 ZINC000020604348 520811310 /nfs/dbraw/zinc/81/13/10/520811310.db2.gz TWEVMBKRFUBDEM-UHFFFAOYSA-N -1 1 439.415 4.242 50 0 IIAAMM CCOc1ccc(CN(CCOC)Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)cc1 ZINC000033126314 520964265 /nfs/dbraw/zinc/96/42/65/520964265.db2.gz CCOGRKNTNMGFOC-UHFFFAOYSA-N -1 1 446.551 4.045 50 0 IIAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017271145 520976317 /nfs/dbraw/zinc/97/63/17/520976317.db2.gz OXYZRUAVDRGZKM-GOSISDBHSA-N -1 1 443.569 4.454 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc(OC)c1OC ZINC000021033646 522754477 /nfs/dbraw/zinc/75/44/77/522754477.db2.gz GHYSPMHJGQTKHZ-UHFFFAOYSA-N -1 1 430.482 4.046 50 0 IIAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)c(OC)c1 ZINC000012566038 523472330 /nfs/dbraw/zinc/47/23/30/523472330.db2.gz MRJLPZWSTZLMTM-LCUIJRPUSA-N -1 1 431.448 4.344 50 0 IIAAMM COc1ccc(C)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012605003 523827780 /nfs/dbraw/zinc/82/77/80/523827780.db2.gz WGIKDIDBCFMYLR-UHFFFAOYSA-N -1 1 428.485 4.125 50 0 IIAAMM C[C@@H](CCc1ccco1)NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000012893188 524543293 /nfs/dbraw/zinc/54/32/93/524543293.db2.gz JSLOZLIEIVYOTJ-INIZCTEOSA-N -1 1 433.460 4.275 50 0 biogenic IIAAMM C[C@@H](CCc1ccco1)NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000012893188 524543298 /nfs/dbraw/zinc/54/32/98/524543298.db2.gz JSLOZLIEIVYOTJ-INIZCTEOSA-N -1 1 433.460 4.275 50 0 biogenic IIAAMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@H]1CCCO1 ZINC000012521283 525231019 /nfs/dbraw/zinc/23/10/19/525231019.db2.gz LVNYDODRFFSJPE-KPZWWZAWSA-N -1 1 443.352 4.092 50 0 IIAAMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)nc1 ZINC000012824302 525245137 /nfs/dbraw/zinc/24/51/37/525245137.db2.gz YARTUYNPGYLYPB-UHFFFAOYSA-N -1 1 446.326 4.206 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCCOC1CCCCC1 ZINC000021971948 525605829 /nfs/dbraw/zinc/60/58/29/525605829.db2.gz UHVUIIOKLBBXRA-UHFFFAOYSA-N -1 1 448.560 4.404 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)cc1C ZINC000012585356 525615996 /nfs/dbraw/zinc/61/59/96/525615996.db2.gz CKCRKVHIRRANPY-UHFFFAOYSA-N -1 1 438.505 4.128 50 0 IIAAMM Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000012560978 525776363 /nfs/dbraw/zinc/77/63/63/525776363.db2.gz TVXPXZJCJJBACG-UHFFFAOYSA-N -1 1 444.896 4.430 50 0 IIAAMM O=c1cc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c2ccc([O-])cc2o1 ZINC000021247371 527481189 /nfs/dbraw/zinc/48/11/89/527481189.db2.gz JUAOHCJWCGCZET-UHFFFAOYSA-N -1 1 448.548 4.358 50 0 IIAAMM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000001144387 555652385 /nfs/dbraw/zinc/65/23/85/555652385.db2.gz DKQUCOBGGMUWFR-UHFFFAOYSA-N -1 1 430.913 4.467 50 0 IIAAMM COc1cc(OC)nc(-c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001501514 555702208 /nfs/dbraw/zinc/70/22/08/555702208.db2.gz YLKGYNQPHONDJX-UHFFFAOYSA-N -1 1 427.526 4.259 50 0 IIAAMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1OC ZINC000002981986 555872549 /nfs/dbraw/zinc/87/25/49/555872549.db2.gz JTSPHMWARZTZRV-UHFFFAOYSA-N -1 1 449.488 4.344 50 0 IIAAMM COc1cc([C@@H](c2c[nH]nc2C)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000004113179 555963844 /nfs/dbraw/zinc/96/38/44/555963844.db2.gz UQNVWQVWUYKPGF-QFIPXVFZSA-N -1 1 432.480 4.172 50 0 IIAAMM COc1ccc(-c2cc(=O)[n-]c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000009463843 556293240 /nfs/dbraw/zinc/29/32/40/556293240.db2.gz VIWHKSMCDCAHOD-UHFFFAOYSA-N -1 1 436.320 4.483 50 0 IIAAMM O=C(NCCCCOc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029148864 556468510 /nfs/dbraw/zinc/46/85/10/556468510.db2.gz FQYIYQLUXGJCKV-UHFFFAOYSA-N -1 1 442.512 4.216 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc2sc(NC(C)=O)nc21 ZINC000033007964 556656894 /nfs/dbraw/zinc/65/68/94/556656894.db2.gz OWKZVRHRYZXSNW-UHFFFAOYSA-N -1 1 425.919 4.026 50 0 IIAAMM O=C(c1ccccc1)C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000010657262 556762739 /nfs/dbraw/zinc/76/27/39/556762739.db2.gz QQXXVPCQBJQYCB-UHFFFAOYSA-N -1 1 448.544 4.223 50 0 IIAAMM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c2)no1 ZINC000033086472 556857302 /nfs/dbraw/zinc/85/73/02/556857302.db2.gz YIXDBSRJMDRULR-UHFFFAOYSA-N -1 1 436.331 4.479 50 0 IIAAMM O=c1oc2ccccc2cc1-c1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1 ZINC000033122788 556863586 /nfs/dbraw/zinc/86/35/86/556863586.db2.gz ONADBXVRKFCPPJ-UHFFFAOYSA-N -1 1 445.456 4.311 50 0 IIAAMM COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000033130301 556870204 /nfs/dbraw/zinc/87/02/04/556870204.db2.gz VQMBILXFKXAZHN-UHFFFAOYSA-N -1 1 442.512 4.060 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1C ZINC000033255733 556895082 /nfs/dbraw/zinc/89/50/82/556895082.db2.gz IXFFKLOMLOGARK-PMACEKPBSA-N -1 1 440.565 4.088 50 0 IIAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000023137947 557018339 /nfs/dbraw/zinc/01/83/39/557018339.db2.gz LJGYAYGYINTNAI-UHFFFAOYSA-N -1 1 435.427 4.142 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1 ZINC000032944029 557022777 /nfs/dbraw/zinc/02/27/77/557022777.db2.gz IOVMMUMOFCRLLX-AWEZNQCLSA-N -1 1 432.567 4.123 50 0 IIAAMM O=C(Nc1nc2ccccc2s1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017201235 557041096 /nfs/dbraw/zinc/04/10/96/557041096.db2.gz RRCCGJWLCUIGIM-UHFFFAOYSA-N -1 1 427.482 4.489 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4ccc(F)c(F)c4)n3)cc2)cc1 ZINC000033276455 557056748 /nfs/dbraw/zinc/05/67/48/557056748.db2.gz FLMDZYBYTYINPK-UHFFFAOYSA-N -1 1 443.431 4.491 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1)c1ccc(F)cc1 ZINC000033276503 557056888 /nfs/dbraw/zinc/05/68/88/557056888.db2.gz GRMSKAITJJDWTM-UHFFFAOYSA-N -1 1 439.424 4.072 50 0 IIAAMM O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000023079981 557062476 /nfs/dbraw/zinc/06/24/76/557062476.db2.gz XDXAYQLRRMNEPP-UHFFFAOYSA-N -1 1 433.533 4.262 50 0 IIAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000033297884 557073846 /nfs/dbraw/zinc/07/38/46/557073846.db2.gz GDHDJXBODHQMIB-MLPAPPSSSA-N -1 1 429.473 4.442 50 0 IIAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)cc1 ZINC000033293227 557076384 /nfs/dbraw/zinc/07/63/84/557076384.db2.gz PUDSYRLOXUQEGG-UHFFFAOYSA-N -1 1 438.534 4.307 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000033308206 557087916 /nfs/dbraw/zinc/08/79/16/557087916.db2.gz DEYJTXCAOYRXOH-UHFFFAOYSA-N -1 1 449.488 4.319 50 0 IIAAMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000023555286 557098073 /nfs/dbraw/zinc/09/80/73/557098073.db2.gz PKNVIRLNUWIDKR-UHFFFAOYSA-N -1 1 441.436 4.339 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000100821738 557188289 /nfs/dbraw/zinc/18/82/89/557188289.db2.gz ZKWYVWGWIPHJEA-GOSISDBHSA-N -1 1 437.496 4.206 50 0 IIAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=S ZINC000101494951 557288563 /nfs/dbraw/zinc/28/85/63/557288563.db2.gz HJBFIEIRAGTWHM-KRWDZBQOSA-N -1 1 439.518 4.235 50 0 IIAAMM COc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(C)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281836 557456205 /nfs/dbraw/zinc/45/62/05/557456205.db2.gz OWVOUKMDBMYPGG-UHFFFAOYSA-N -1 1 438.487 4.066 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000195529175 557530440 /nfs/dbraw/zinc/53/04/40/557530440.db2.gz MGTVHKJHRLBYBJ-VBQJREDUSA-N -1 1 433.213 4.097 50 0 IIAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000226828314 557809551 /nfs/dbraw/zinc/80/95/51/557809551.db2.gz BSHNXEWKJQWCMI-RBZQAINGSA-N -1 1 444.487 4.150 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000226989219 557811503 /nfs/dbraw/zinc/81/15/03/557811503.db2.gz BFNZJMMKTNKZMB-RBZQAINGSA-N -1 1 444.487 4.063 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000239882046 557845216 /nfs/dbraw/zinc/84/52/16/557845216.db2.gz DAADXQROVDOBDX-HSZRJFAPSA-N -1 1 437.496 4.324 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2)cc1 ZINC000009931535 562977759 /nfs/dbraw/zinc/97/77/59/562977759.db2.gz WRKBWEUNUMXGQA-INIZCTEOSA-N -1 1 426.460 4.210 50 0 IIAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(F)cc1 ZINC000001146089 568662401 /nfs/dbraw/zinc/66/24/01/568662401.db2.gz DZWSTNGVWFYSHT-UHFFFAOYSA-N -1 1 440.905 4.081 50 0 IIAAMM O=c1cc(-c2ccncc2)nc(SCc2nc(-c3ccc(Br)cc3)no2)[n-]1 ZINC000044169474 568749066 /nfs/dbraw/zinc/74/90/66/568749066.db2.gz NABLIWXXGYMDQT-UHFFFAOYSA-N -1 1 442.298 4.349 50 0 IIAAMM C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000015730807 568814235 /nfs/dbraw/zinc/81/42/35/568814235.db2.gz WRMSQWUMDGDNHO-SNVBAGLBSA-N -1 1 432.445 4.066 50 0 IIAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1 ZINC000085664701 568833744 /nfs/dbraw/zinc/83/37/44/568833744.db2.gz UWDSEHQPTSBUEY-UHFFFAOYSA-N -1 1 445.444 4.135 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cnn(C(C)C)c3)CC(=O)O4)c2=O)cc1 ZINC000085877295 568838602 /nfs/dbraw/zinc/83/86/02/568838602.db2.gz DPYAYPBFEDFWGW-QGZVFWFLSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cnn(C(C)C)c2)cc1 ZINC000085877295 568838603 /nfs/dbraw/zinc/83/86/03/568838603.db2.gz DPYAYPBFEDFWGW-QGZVFWFLSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1 ZINC000015869996 568851501 /nfs/dbraw/zinc/85/15/01/568851501.db2.gz ILYWULVDIKOJEM-UHFFFAOYSA-N -1 1 429.445 4.464 50 0 IIAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862224 568974126 /nfs/dbraw/zinc/97/41/26/568974126.db2.gz GGHMMBDTMRXGJY-UHFFFAOYSA-N -1 1 441.553 4.095 50 0 IIAAMM O=S(=O)([N-]CCn1c2ccccc2nc1-c1ccc(F)cc1)c1cc(F)ccc1F ZINC000064888075 568979303 /nfs/dbraw/zinc/97/93/03/568979303.db2.gz FZYJFJBEGWNSHW-UHFFFAOYSA-N -1 1 431.439 4.099 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CC3)c2)c(C)c1 ZINC000065059899 569095660 /nfs/dbraw/zinc/09/56/60/569095660.db2.gz IATADUWZTDAMGH-UHFFFAOYSA-N -1 1 437.521 4.184 50 0 IIAAMM CCc1nnc2c(Oc3cccc([N-]S(=O)(=O)c4ccccc4)c3)nc3ccccc3n12 ZINC000065096506 569103580 /nfs/dbraw/zinc/10/35/80/569103580.db2.gz HWWOZOHTTTYOGO-UHFFFAOYSA-N -1 1 445.504 4.433 50 0 IIAAMM COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000524731695 569126572 /nfs/dbraw/zinc/12/65/72/569126572.db2.gz HSBCKYYUIBEAGK-KRWDZBQOSA-N -1 1 442.423 4.393 50 0 biogenic IIAAMM COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)cc1 ZINC000524731695 569126573 /nfs/dbraw/zinc/12/65/73/569126573.db2.gz HSBCKYYUIBEAGK-KRWDZBQOSA-N -1 1 442.423 4.393 50 0 biogenic IIAAMM CC(C)n1nccc1[C@@H](CC(=O)[O-])c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1O ZINC000524733183 569127112 /nfs/dbraw/zinc/12/71/12/569127112.db2.gz CJMUFSQSXYFIEQ-MRXNPFEDSA-N -1 1 428.872 4.366 50 0 IIAAMM O=C(NOCc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000010216850 569153137 /nfs/dbraw/zinc/15/31/37/569153137.db2.gz HHXRFAIJRCFYIE-UHFFFAOYSA-N -1 1 434.876 4.142 50 0 IIAAMM COc1cccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 ZINC000096114516 569382908 /nfs/dbraw/zinc/38/29/08/569382908.db2.gz VBXBQZGRHZQLFL-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)c1 ZINC000096114516 569382909 /nfs/dbraw/zinc/38/29/09/569382909.db2.gz VBXBQZGRHZQLFL-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CCCSc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2s1 ZINC000096399446 569400084 /nfs/dbraw/zinc/40/00/84/569400084.db2.gz VZYBVWMQVIWGIT-UHFFFAOYSA-N -1 1 435.552 4.044 50 0 IIAAMM CCn1ncc(Cl)c1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002778496 569421067 /nfs/dbraw/zinc/42/10/67/569421067.db2.gz PAWLMLRDBVRFOK-LBPRGKRZSA-N -1 1 447.992 4.171 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3)ccc2N2CCCC2)cc1 ZINC000002912060 569424933 /nfs/dbraw/zinc/42/49/33/569424933.db2.gz RSJRFETURUTAET-UHFFFAOYSA-N -1 1 449.576 4.326 50 0 IIAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccc3nc2C)c1 ZINC000029769941 569432812 /nfs/dbraw/zinc/43/28/12/569432812.db2.gz ALMVCEJCEXGVQV-UHFFFAOYSA-N -1 1 447.944 4.185 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3ccccc3)c2)cc1 ZINC000003491259 569452577 /nfs/dbraw/zinc/45/25/77/569452577.db2.gz RCVAXXVYNSFEJY-UHFFFAOYSA-N -1 1 438.549 4.249 50 0 IIAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067298721 569468097 /nfs/dbraw/zinc/46/80/97/569468097.db2.gz BUDWTNDGQPXTMT-BZIHZDCZSA-N -1 1 432.398 4.298 50 0 IIAAMM COc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)cc(OC)c1 ZINC000067297859 569468109 /nfs/dbraw/zinc/46/81/09/569468109.db2.gz YNIRTKWEUVGAGN-LCUIJRPUSA-N -1 1 431.448 4.344 50 0 IIAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F ZINC000040115224 569489214 /nfs/dbraw/zinc/48/92/14/569489214.db2.gz RDPKCJCHYPQXBJ-INIZCTEOSA-N -1 1 446.422 4.071 50 0 IIAAMM COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C2CC2)cc1 ZINC000008965597 569491513 /nfs/dbraw/zinc/49/15/13/569491513.db2.gz UFQJCARHPNQGFI-UHFFFAOYSA-N -1 1 436.533 4.301 50 0 IIAAMM CCCCC(=O)N[C@]([N-]c1nc2c(ccc(C)c2C)s1)(C(=O)OCC)C(F)(F)F ZINC000008974799 569492939 /nfs/dbraw/zinc/49/29/39/569492939.db2.gz OAKUDGNVXGYCEJ-SFHVURJKSA-N -1 1 431.480 4.453 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000009439416 569535101 /nfs/dbraw/zinc/53/51/01/569535101.db2.gz UDECTYADRQKQEF-UHFFFAOYSA-N -1 1 436.533 4.085 50 0 IIAAMM Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)[n-]c(=O)c1C ZINC000009453959 569536683 /nfs/dbraw/zinc/53/66/83/569536683.db2.gz UEVIRNGMJAVHDE-KRWDZBQOSA-N -1 1 442.541 4.057 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1Br ZINC000009466674 569538277 /nfs/dbraw/zinc/53/82/77/569538277.db2.gz VONJGXCFAQNONB-UHFFFAOYSA-N -1 1 425.329 4.382 50 0 IIAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)NC1CCCCC1 ZINC000009468270 569538581 /nfs/dbraw/zinc/53/85/81/569538581.db2.gz XVYOCVFMGBXDBS-UHFFFAOYSA-N -1 1 445.541 4.103 50 0 IIAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc2c(c1)CCCC2 ZINC000009529587 569544875 /nfs/dbraw/zinc/54/48/75/569544875.db2.gz JGUULSMYWXTKTD-UHFFFAOYSA-N -1 1 434.565 4.423 50 0 IIAAMM O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[N-]C(=O)c1ccccc1 ZINC000009535633 569545541 /nfs/dbraw/zinc/54/55/41/569545541.db2.gz NEPFOWQYPHIHIY-UHFFFAOYSA-N -1 1 426.501 4.254 50 0 IIAAMM CC(=O)c1ccc(NC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)cc1 ZINC000009547444 569546360 /nfs/dbraw/zinc/54/63/60/569546360.db2.gz VBGHXQBGIDYDBH-UHFFFAOYSA-N -1 1 429.428 4.386 50 0 biogenic IIAAMM CC(=O)c1ccc(NC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000009547444 569546361 /nfs/dbraw/zinc/54/63/61/569546361.db2.gz VBGHXQBGIDYDBH-UHFFFAOYSA-N -1 1 429.428 4.386 50 0 biogenic IIAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C ZINC000009715038 569562905 /nfs/dbraw/zinc/56/29/05/569562905.db2.gz ZTVYTOUKABKQHK-UHFFFAOYSA-N -1 1 433.533 4.420 50 0 IIAAMM Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009715096 569563050 /nfs/dbraw/zinc/56/30/50/569563050.db2.gz ZLYGIXMUSMGVBD-UHFFFAOYSA-N -1 1 439.924 4.457 50 0 IIAAMM Cc1cccc(OCCn2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000033287028 569587440 /nfs/dbraw/zinc/58/74/40/569587440.db2.gz UXMRWHLSJAVYFB-ULJHMMPZSA-N -1 1 437.499 4.490 50 0 IIAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC000012733135 520805762 /nfs/dbraw/zinc/80/57/62/520805762.db2.gz SSLFNYXFFSMLFU-CYBMUJFWSA-N -1 1 442.990 4.195 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nnc(C(C)C)s3)c2)cc1 ZINC000012741936 521132563 /nfs/dbraw/zinc/13/25/63/521132563.db2.gz LNMGYHORAXPUOJ-UHFFFAOYSA-N -1 1 446.554 4.113 50 0 IIAAMM CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC ZINC000020463948 521241632 /nfs/dbraw/zinc/24/16/32/521241632.db2.gz NFVJKFMNFCIXAJ-INIZCTEOSA-N -1 1 437.521 4.356 50 0 IIAAMM C[C@H](CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000012737688 524390185 /nfs/dbraw/zinc/39/01/85/524390185.db2.gz STKVPDAIWUWIIZ-QGZVFWFLSA-N -1 1 426.513 4.089 50 0 IIAAMM COc1ccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000035684030 525241050 /nfs/dbraw/zinc/24/10/50/525241050.db2.gz DMMIBLGHFMCATE-DEOSSOPVSA-N -1 1 449.532 4.194 50 0 IIAAMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@H]1CCCO1 ZINC000012521282 525343585 /nfs/dbraw/zinc/34/35/85/525343585.db2.gz LVNYDODRFFSJPE-KZULUSFZSA-N -1 1 443.352 4.092 50 0 IIAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]c(=O)c1C ZINC000012127438 526626269 /nfs/dbraw/zinc/62/62/69/526626269.db2.gz CMLCJYFWZBKSQW-UHFFFAOYSA-N -1 1 439.519 4.298 50 0 IIAAMM Cn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000021357161 527113600 /nfs/dbraw/zinc/11/36/00/527113600.db2.gz SZRAYBDNUKOMAR-UHFFFAOYSA-N -1 1 427.476 4.438 50 0 IIAAMM O=C(Nc1ccc(F)cc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000015585427 527209896 /nfs/dbraw/zinc/20/98/96/527209896.db2.gz TXXUAXQXKNHCBX-UHFFFAOYSA-N -1 1 448.859 4.261 50 0 IIAAMM CCOc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000001006537 555601068 /nfs/dbraw/zinc/60/10/68/555601068.db2.gz OLBCSGVVHBMFJO-UHFFFAOYSA-N -1 1 426.494 4.147 50 0 IIAAMM CCCCCCc1cc2cc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)oc2cc1[O-] ZINC000002689587 555799051 /nfs/dbraw/zinc/79/90/51/555799051.db2.gz XRPFHQLGLOCONQ-UHFFFAOYSA-N -1 1 446.521 4.471 50 0 IIAAMM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008722774 556203377 /nfs/dbraw/zinc/20/33/77/556203377.db2.gz MJYXRWLEDMSUDZ-UHFFFAOYSA-N -1 1 430.913 4.467 50 0 IIAAMM O=C(CN1C(=O)C(=C2SC(=S)[N-]C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000013809920 556311573 /nfs/dbraw/zinc/31/15/73/556311573.db2.gz LHAXOTRXDXQENK-NXVVXOECSA-N -1 1 429.910 4.025 50 0 IIAAMM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2c(s1)CCCCC2 ZINC000013986319 556351729 /nfs/dbraw/zinc/35/17/29/556351729.db2.gz YCRBNFUCKDEVMP-UHFFFAOYSA-N -1 1 445.544 4.157 50 0 IIAAMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1N1CCOCC1 ZINC000014097878 556367760 /nfs/dbraw/zinc/36/77/60/556367760.db2.gz YBCNAVXEPHLDMO-UHFFFAOYSA-N -1 1 445.766 4.048 50 0 IIAAMM O=C(c1ccc2ccccc2c1[O-])N1CCN(Cc2ccc(Br)s2)CC1 ZINC000014183379 556383392 /nfs/dbraw/zinc/38/33/92/556383392.db2.gz KEWCLJQZRXPWQP-UHFFFAOYSA-N -1 1 431.355 4.327 50 0 IIAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)Nc1cccc2ncccc21 ZINC000029895263 556485820 /nfs/dbraw/zinc/48/58/20/556485820.db2.gz QAMNSWJKVSKQGE-UHFFFAOYSA-N -1 1 430.533 4.490 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[n-]c(=O)c2[C@H]1c1ccccc1 ZINC000100821757 556593823 /nfs/dbraw/zinc/59/38/23/556593823.db2.gz VNGPTGLOWCNXIH-SFHVURJKSA-N -1 1 437.496 4.206 50 0 IIAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1 ZINC000016310542 556599379 /nfs/dbraw/zinc/59/93/79/556599379.db2.gz LEYJHBZPRAKEML-UHFFFAOYSA-N -1 1 426.494 4.065 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(C)c2)cc1Cl ZINC000033007785 556656885 /nfs/dbraw/zinc/65/68/85/556656885.db2.gz ATILJLZPCSNIFO-UHFFFAOYSA-N -1 1 425.919 4.026 50 0 IIAAMM C[C@@H]1CCc2c(sc3[n-]c(=S)n(NC(=O)CSCc4ccccc4)c(=O)c23)C1 ZINC000017097682 556662015 /nfs/dbraw/zinc/66/20/15/556662015.db2.gz SYIZKIAAYUDOPT-GFCCVEGCSA-N -1 1 431.608 4.249 50 0 IIAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)[n-]c(=O)c1C ZINC000012008249 556680683 /nfs/dbraw/zinc/68/06/83/556680683.db2.gz QZLCJLNEJVGDBJ-UHFFFAOYSA-N -1 1 443.385 4.104 50 0 IIAAMM O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1)c1ccccc1F ZINC000012009150 556680906 /nfs/dbraw/zinc/68/09/06/556680906.db2.gz BWIGZUYNWKETRW-UHFFFAOYSA-N -1 1 441.422 4.274 50 0 IIAAMM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000033255731 556895089 /nfs/dbraw/zinc/89/50/89/556895089.db2.gz YWYRWSCLJHONKO-OALUTQOASA-N -1 1 446.956 4.124 50 0 IIAAMM COc1ccc(Cl)cc1NC(=O)Cc1cc(=O)[n-]c(SCc2ccccc2F)n1 ZINC000023138438 557021545 /nfs/dbraw/zinc/02/15/45/557021545.db2.gz MUVCWBRQHPGSJI-UHFFFAOYSA-N -1 1 433.892 4.045 50 0 IIAAMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2nc(-c3cccs3)[nH]c2c1 ZINC000048302492 557063643 /nfs/dbraw/zinc/06/36/43/557063643.db2.gz YRFGUDFTEXNHGF-UHFFFAOYSA-N -1 1 442.522 4.059 50 0 IIAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000023384955 557090386 /nfs/dbraw/zinc/09/03/86/557090386.db2.gz WZCMSWVIIGOCEE-JOCHJYFZSA-N -1 1 436.581 4.278 50 0 IIAAMM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025591696 557218010 /nfs/dbraw/zinc/21/80/10/557218010.db2.gz JHGCYXROIWRWIQ-HOTGVXAUSA-N -1 1 426.460 4.338 50 0 IIAAMM COc1cc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1OC ZINC000011648676 557219451 /nfs/dbraw/zinc/21/94/51/557219451.db2.gz WLCVTOITJUSKSZ-UHFFFAOYSA-N -1 1 426.494 4.065 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736416 557272846 /nfs/dbraw/zinc/27/28/46/557272846.db2.gz ZNMZCTBQRLPDHG-JJRVBVJISA-N -1 1 433.213 4.097 50 0 IIAAMM CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=S ZINC000101456177 557286623 /nfs/dbraw/zinc/28/66/23/557286623.db2.gz YRACXXCIUYAYHF-SFHVURJKSA-N -1 1 428.558 4.233 50 0 IIAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c1=O ZINC000101766579 557295797 /nfs/dbraw/zinc/29/57/97/557295797.db2.gz KSXBDTZOJXGYIV-LJQANCHMSA-N -1 1 437.521 4.106 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccccc3)C(=O)c3cccc(C)c3)nn2c1=O ZINC000101861315 557303942 /nfs/dbraw/zinc/30/39/42/557303942.db2.gz YRSXUPPZMPZWQV-UHFFFAOYSA-N -1 1 429.524 4.224 50 0 IIAAMM CCOC(=O)C1=C(NC(=O)c2oc3ccccc3c2COC)[N-]c2ccccc2N=C1C ZINC000102221221 557315584 /nfs/dbraw/zinc/31/55/84/557315584.db2.gz RTLMHQHLWIFDQN-UHFFFAOYSA-N -1 1 433.464 4.302 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1C ZINC000102288597 557317459 /nfs/dbraw/zinc/31/74/59/557317459.db2.gz IXFFKLOMLOGARK-BGYRXZFFSA-N -1 1 440.565 4.088 50 0 IIAAMM COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102725407 557369488 /nfs/dbraw/zinc/36/94/88/557369488.db2.gz HKVSAYZUUFBPRN-YPAWHYETSA-N -1 1 434.879 4.400 50 0 IIAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102739998 557380468 /nfs/dbraw/zinc/38/04/68/557380468.db2.gz DGJULFFNUSNKAN-WXFUMESZSA-N -1 1 444.487 4.150 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(C)cs1 ZINC000103034771 557415974 /nfs/dbraw/zinc/41/59/74/557415974.db2.gz AQCVVAQIAAWNHL-AWEZNQCLSA-N -1 1 437.930 4.163 50 0 IIAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2C)n1 ZINC000045924807 557549847 /nfs/dbraw/zinc/54/98/47/557549847.db2.gz SXWHTZPLXLEHJF-UHFFFAOYSA-N -1 1 431.514 4.004 50 0 IIAAMM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)nn1 ZINC000008610210 562958117 /nfs/dbraw/zinc/95/81/17/562958117.db2.gz FYBSFUSJYWINMF-UHFFFAOYSA-N -1 1 427.379 4.111 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)(C)C)ccc2N2CCCC2)cc1 ZINC000009662589 562974904 /nfs/dbraw/zinc/97/49/04/562974904.db2.gz VKBAGSIQMGKNOX-UHFFFAOYSA-N -1 1 445.585 4.471 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC000009931536 562977763 /nfs/dbraw/zinc/97/77/63/562977763.db2.gz WRKBWEUNUMXGQA-MRXNPFEDSA-N -1 1 426.460 4.210 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c2)c1 ZINC000009931522 562977787 /nfs/dbraw/zinc/97/77/87/562977787.db2.gz QURGFNYPNUZDMG-MRXNPFEDSA-N -1 1 426.460 4.210 50 0 IIAAMM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1Cl ZINC000000991159 568650021 /nfs/dbraw/zinc/65/00/21/568650021.db2.gz VRTRCSMSGCWJNU-UHFFFAOYSA-N -1 1 444.896 4.164 50 0 IIAAMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000001392852 568785284 /nfs/dbraw/zinc/78/52/84/568785284.db2.gz FJPKYHJSVQQYLE-UHFFFAOYSA-N -1 1 426.313 4.251 50 0 IIAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1 ZINC000085664632 568833755 /nfs/dbraw/zinc/83/37/55/568833755.db2.gz BPGJFIKQUKWUTH-UHFFFAOYSA-N -1 1 445.444 4.135 50 0 IIAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccco1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000138165047 568932479 /nfs/dbraw/zinc/93/24/79/568932479.db2.gz VBHSXXHEDAKLNO-UHFFFAOYSA-N -1 1 426.476 4.035 50 0 IIAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000064580468 568934436 /nfs/dbraw/zinc/93/44/36/568934436.db2.gz HTYUMMLSMSAQAT-UHFFFAOYSA-N -1 1 443.956 4.332 50 0 IIAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000064580472 568934533 /nfs/dbraw/zinc/93/45/33/568934533.db2.gz QPHACUBHDPJRMS-UHFFFAOYSA-N -1 1 437.565 4.296 50 0 IIAAMM CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059804 569095653 /nfs/dbraw/zinc/09/56/53/569095653.db2.gz RKAVWMMVFQJJFG-UHFFFAOYSA-N -1 1 431.901 4.078 50 0 IIAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115292 569106772 /nfs/dbraw/zinc/10/67/72/569106772.db2.gz JVBMTVDLDZCWAR-UHFFFAOYSA-N -1 1 433.917 4.217 50 0 IIAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)NCc1cccs1 ZINC000013850343 569157266 /nfs/dbraw/zinc/15/72/66/569157266.db2.gz UASWXLIRAPSVSA-UHFFFAOYSA-N -1 1 438.933 4.200 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1F ZINC000016955232 569167556 /nfs/dbraw/zinc/16/75/56/569167556.db2.gz MLYJFEYZULSRQW-UHFFFAOYSA-N -1 1 446.525 4.290 50 0 IIAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016981165 569169285 /nfs/dbraw/zinc/16/92/85/569169285.db2.gz KSNFCQBGHTUNDV-UHFFFAOYSA-N -1 1 434.327 4.067 50 0 IIAAMM CCCCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000208133535 569189195 /nfs/dbraw/zinc/18/91/95/569189195.db2.gz AXSNGHAVDXRFPZ-LVXARBLLSA-N -1 1 448.567 4.103 50 0 IIAAMM CCC[C@@H](Oc1ccc(Br)cc1)C(=O)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002970285 569213001 /nfs/dbraw/zinc/21/30/01/569213001.db2.gz GWQSNMYENQEGGH-MRXNPFEDSA-N -1 1 448.342 4.139 50 0 IIAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2C)C[C@@H]1c1ccco1 ZINC000253425073 569267127 /nfs/dbraw/zinc/26/71/27/569267127.db2.gz APNYGEWWKHZOEB-HXUWFJFHSA-N -1 1 437.521 4.477 50 0 IIAAMM CC(=O)Oc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000020075778 569333806 /nfs/dbraw/zinc/33/38/06/569333806.db2.gz FALLZQSNIIBGMQ-WTKPLQERSA-N -1 1 437.134 4.466 50 0 IIAAMM Cc1ccc([C@H](O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000328595937 569317872 /nfs/dbraw/zinc/31/78/72/569317872.db2.gz KZWOSMWCUCBPSQ-QHCPKHFHSA-N -1 1 445.500 4.375 50 0 IIAAMM CC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1cccnc1 ZINC000079050451 569323207 /nfs/dbraw/zinc/32/32/07/569323207.db2.gz KSIBCJIWTPVEHO-NRFANRHFSA-N -1 1 439.462 4.487 50 0 IIAAMM CC(C)n1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cn1 ZINC000096114184 569382758 /nfs/dbraw/zinc/38/27/58/569382758.db2.gz SCHOYQFWXHFROD-MRXNPFEDSA-N -1 1 432.432 4.090 50 0 biogenic IIAAMM CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096116405 569383754 /nfs/dbraw/zinc/38/37/54/569383754.db2.gz RYDPNESHDRKPPM-HNNXBMFYSA-N -1 1 432.432 4.090 50 0 biogenic IIAAMM CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096116405 569383755 /nfs/dbraw/zinc/38/37/55/569383755.db2.gz RYDPNESHDRKPPM-HNNXBMFYSA-N -1 1 432.432 4.090 50 0 biogenic IIAAMM CCn1ncc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)cc21 ZINC000058004814 569444584 /nfs/dbraw/zinc/44/45/84/569444584.db2.gz YHFFLTDGSDWIRT-UHFFFAOYSA-N -1 1 438.484 4.248 50 0 IIAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)ccc1O ZINC000217745958 569452573 /nfs/dbraw/zinc/45/25/73/569452573.db2.gz XTVYFCLFUXDYBA-OAHLLOKOSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM Nc1c(-c2nnc([N-]c3cccc(Br)c3)o2)nnn1-c1ccc(Cl)cc1 ZINC000039932695 569482058 /nfs/dbraw/zinc/48/20/58/569482058.db2.gz RPCUYIJQROWIPD-UHFFFAOYSA-N -1 1 432.669 4.059 50 0 IIAAMM CSc1nc(C)c(CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(=O)[n-]1 ZINC000040040621 569483523 /nfs/dbraw/zinc/48/35/23/569483523.db2.gz SMSNNMSWKMUTCK-UHFFFAOYSA-N -1 1 437.525 4.016 50 0 IIAAMM Cc1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)c2ccc([O-])cc2O)cc1 ZINC000008954251 569490079 /nfs/dbraw/zinc/49/00/79/569490079.db2.gz CBTBJNBCIYFNTN-UHFFFAOYSA-N -1 1 432.501 4.139 50 0 IIAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2OCC(C)(C)C1=O ZINC000009166314 569508831 /nfs/dbraw/zinc/50/88/31/569508831.db2.gz ZQXGTJBUUTUEEU-UHFFFAOYSA-N -1 1 428.554 4.138 50 0 IIAAMM O=S(=O)([N-]c1ccc(Cc2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 ZINC000009282938 569518773 /nfs/dbraw/zinc/51/87/73/569518773.db2.gz ITJQXKPQBCEUHE-UHFFFAOYSA-N -1 1 438.530 4.459 50 0 IIAAMM COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC000009507217 569541945 /nfs/dbraw/zinc/54/19/45/569541945.db2.gz RHCGJWSLLMPTJV-UHFFFAOYSA-N -1 1 438.505 4.143 50 0 IIAAMM C[C@H](OC(=O)c1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009585764 569549555 /nfs/dbraw/zinc/54/95/55/569549555.db2.gz SAGYFMKUKZCMLM-ZDUSSCGKSA-N -1 1 434.473 4.341 50 0 IIAAMM O=C(NCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009639675 569555199 /nfs/dbraw/zinc/55/51/99/569555199.db2.gz WEGQCORMWWBHPN-UHFFFAOYSA-N -1 1 436.867 4.349 50 0 IIAAMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c(Cl)c1 ZINC000009641583 569555752 /nfs/dbraw/zinc/55/57/52/569555752.db2.gz QSTPANYHBBUZIL-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1OC ZINC000009685362 569560672 /nfs/dbraw/zinc/56/06/72/569560672.db2.gz LNXBNRHQGDFNAS-UHFFFAOYSA-N -1 1 442.537 4.449 50 0 IIAAMM O=C(NC1CCCCCC1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000009728058 569564101 /nfs/dbraw/zinc/56/41/01/569564101.db2.gz XDYYMBXTWKRBBD-UHFFFAOYSA-N -1 1 444.553 4.101 50 0 IIAAMM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)c(C)cc21 ZINC000020509728 519604222 /nfs/dbraw/zinc/60/42/22/519604222.db2.gz ZVORPBHMXLYMFT-UHFFFAOYSA-N -1 1 448.850 4.213 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4C3)c2)cc1 ZINC000012216186 521132363 /nfs/dbraw/zinc/13/23/63/521132363.db2.gz REANNEORAVJQLF-UHFFFAOYSA-N -1 1 442.562 4.146 50 0 IIAAMM C[C@@H](CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000012737686 524658468 /nfs/dbraw/zinc/65/84/68/524658468.db2.gz STKVPDAIWUWIIZ-KRWDZBQOSA-N -1 1 426.513 4.089 50 0 IIAAMM Cc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012604878 525062896 /nfs/dbraw/zinc/06/28/96/525062896.db2.gz NFPUFYCBTHFQKA-UHFFFAOYSA-N -1 1 438.505 4.209 50 0 IIAAMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1F ZINC000012548722 525217925 /nfs/dbraw/zinc/21/79/25/525217925.db2.gz JRBYJGRTPREWKP-ZDUSSCGKSA-N -1 1 434.439 4.396 50 0 IIAAMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000012556932 525248228 /nfs/dbraw/zinc/24/82/28/525248228.db2.gz IPPCYTBZTBBJLT-QHCPKHFHSA-N -1 1 436.533 4.473 50 0 IIAAMM CSc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000012552743 525986313 /nfs/dbraw/zinc/98/63/13/525986313.db2.gz RYPBRSNCIKUWQY-UHFFFAOYSA-N -1 1 426.563 4.482 50 0 IIAAMM CSc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000035980669 526065219 /nfs/dbraw/zinc/06/52/19/526065219.db2.gz TZDBEOMQHZLIMI-VKJFTORMSA-N -1 1 444.862 4.166 50 0 IIAAMM Cn1c(CNC(=O)CC2(CC(=O)c3ccc(Cl)s3)CCCCC2)n[n-]c1=S ZINC000089741334 527059482 /nfs/dbraw/zinc/05/94/82/527059482.db2.gz KIHLTJURDCHXDD-UHFFFAOYSA-N -1 1 426.995 4.422 50 0 IIAAMM Cn1c(COc2ccccc2Cl)nnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000021461834 527065199 /nfs/dbraw/zinc/06/51/99/527065199.db2.gz ZZJBCGFCVPLDJK-UHFFFAOYSA-N -1 1 429.885 4.152 50 0 IIAAMM CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc21 ZINC000001926316 555725042 /nfs/dbraw/zinc/72/50/42/555725042.db2.gz OAOJRDPTLMCJFA-UHFFFAOYSA-N -1 1 434.473 4.488 50 0 IIAAMM COc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccccc1F ZINC000006603467 556098117 /nfs/dbraw/zinc/09/81/17/556098117.db2.gz JJRVPPGWKHMSKR-UHFFFAOYSA-N -1 1 439.310 4.174 50 0 IIAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000013811332 556312562 /nfs/dbraw/zinc/31/25/62/556312562.db2.gz ZDTSWYWUPWCDBR-PWRODBHTSA-N -1 1 448.862 4.089 50 0 IIAAMM CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1 ZINC000014244303 556403918 /nfs/dbraw/zinc/40/39/18/556403918.db2.gz DMTQTJYXISALES-UHFFFAOYSA-N -1 1 443.912 4.352 50 0 IIAAMM CC(C)(C)SCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000030655676 556501190 /nfs/dbraw/zinc/50/11/90/556501190.db2.gz FFGAXSWCOICRHL-UHFFFAOYSA-N -1 1 428.963 4.317 50 0 IIAAMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000032906731 556553598 /nfs/dbraw/zinc/55/35/98/556553598.db2.gz HWHORTBDEPHFKO-UHFFFAOYSA-N -1 1 437.926 4.337 50 0 IIAAMM O=C1[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1cc(C(F)(F)F)ccc1Cl ZINC000016009634 556573653 /nfs/dbraw/zinc/57/36/53/556573653.db2.gz XJTDVSXZTNHNDM-UKRRQHHQSA-N -1 1 429.181 4.305 50 0 IIAAMM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000034736925 556582011 /nfs/dbraw/zinc/58/20/11/556582011.db2.gz DAVZNCZMVVFLAO-UHFFFAOYSA-N -1 1 446.912 4.167 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2c(F)cccc2Cl)n1 ZINC000011854398 556661692 /nfs/dbraw/zinc/66/16/92/556661692.db2.gz DNEACXGEAGGAAA-UHFFFAOYSA-N -1 1 429.864 4.037 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)c(F)c2)n1 ZINC000011855580 556662024 /nfs/dbraw/zinc/66/20/24/556662024.db2.gz WNDMURJNIGFHQP-UHFFFAOYSA-N -1 1 441.463 4.338 50 0 IIAAMM O=C(c1cccnc1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000011906471 556671650 /nfs/dbraw/zinc/67/16/50/556671650.db2.gz XLEQSIDWVVRCCB-UHFFFAOYSA-N -1 1 427.913 4.129 50 0 IIAAMM COc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1OC1CCCC1 ZINC000058438695 556788418 /nfs/dbraw/zinc/78/84/18/556788418.db2.gz VNTWEAFKEOVLOA-UHFFFAOYSA-N -1 1 448.523 4.042 50 0 IIAAMM Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000033173870 556883829 /nfs/dbraw/zinc/88/38/29/556883829.db2.gz SRDSDGNIDUEDKO-UHFFFAOYSA-N -1 1 445.444 4.037 50 0 IIAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)NCc2ccccc2)n1 ZINC000033170067 556885436 /nfs/dbraw/zinc/88/54/36/556885436.db2.gz DBVHRJIUMYDUGR-UHFFFAOYSA-N -1 1 448.573 4.277 50 0 IIAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)n(-c4ccc(OC)cc4)c(=O)c3c2)cc1 ZINC000023143964 557025740 /nfs/dbraw/zinc/02/57/40/557025740.db2.gz IWKKLMMDBWHNGZ-UHFFFAOYSA-N -1 1 449.532 4.066 50 0 IIAAMM O=C(NC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000017298043 557047416 /nfs/dbraw/zinc/04/74/16/557047416.db2.gz WLRAEGYCPUYREJ-UHFFFAOYSA-N -1 1 444.553 4.101 50 0 IIAAMM CCCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)cc1 ZINC000033277037 557057921 /nfs/dbraw/zinc/05/79/21/557057921.db2.gz ZGJHJIDCAJGTRF-UHFFFAOYSA-N -1 1 448.548 4.181 50 0 IIAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCc2sccc2C1 ZINC000010885162 557073898 /nfs/dbraw/zinc/07/38/98/557073898.db2.gz PUMZHIRGJUMLNL-UHFFFAOYSA-N -1 1 432.954 4.401 50 0 IIAAMM COc1cccc(S(=O)(=O)[N-]c2cccc(OCc3nnc(-c4ccccc4)o3)c2)c1 ZINC000033307429 557086844 /nfs/dbraw/zinc/08/68/44/557086844.db2.gz UAEPYSABDCBJQX-UHFFFAOYSA-N -1 1 437.477 4.125 50 0 IIAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000023384953 557090178 /nfs/dbraw/zinc/09/01/78/557090178.db2.gz WZCMSWVIIGOCEE-QFIPXVFZSA-N -1 1 436.581 4.278 50 0 IIAAMM O=C(NC1CCCCC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421124 557107808 /nfs/dbraw/zinc/10/78/08/557107808.db2.gz SPZISLLPCVEUJI-KRWDZBQOSA-N -1 1 436.581 4.317 50 0 IIAAMM O=C1[N-]C(=O)[C@]2(Cc3cc4ccccc4nc3N3CCCC[C@@H]32)C(=O)N1C1CCCCC1 ZINC000018125052 557241568 /nfs/dbraw/zinc/24/15/68/557241568.db2.gz LVGZWTUKNPJEAR-CJFMBICVSA-N -1 1 432.524 4.388 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000018163362 557244815 /nfs/dbraw/zinc/24/48/15/557244815.db2.gz DDTYIZYWMBBEOU-VXNXHJTFSA-N -1 1 428.488 4.363 50 0 IIAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c1=O ZINC000101495649 557288953 /nfs/dbraw/zinc/28/89/53/557288953.db2.gz JDRUVEGCTHVXQH-KRWDZBQOSA-N -1 1 427.551 4.462 50 0 IIAAMM Cn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C2)c1=O ZINC000101495181 557288967 /nfs/dbraw/zinc/28/89/67/557288967.db2.gz OOXCGAJQFNYEIT-HXUWFJFHSA-N -1 1 429.501 4.290 50 0 IIAAMM Cc1nc2[n-]c(NC(=O)C(c3ccccc3)c3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000101823605 557299493 /nfs/dbraw/zinc/29/94/93/557299493.db2.gz KYBWOACVXSUGRU-UHFFFAOYSA-N -1 1 449.514 4.087 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccs3)C(=O)c3ccccc3F)nn2c1=O ZINC000101861493 557304140 /nfs/dbraw/zinc/30/41/40/557304140.db2.gz IAXJXBHTFXOXPA-UHFFFAOYSA-N -1 1 439.516 4.116 50 0 IIAAMM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706719 557366970 /nfs/dbraw/zinc/36/69/70/557366970.db2.gz RHSRUBXZYIKUKT-WXFUMESZSA-N -1 1 428.488 4.363 50 0 IIAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000102735965 557373266 /nfs/dbraw/zinc/37/32/66/557373266.db2.gz YCFGGOFKEXXIIW-RBZQAINGSA-N -1 1 428.488 4.363 50 0 IIAAMM O=C1[C@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1cc(C(F)(F)F)ccc1Cl ZINC000102896185 557405323 /nfs/dbraw/zinc/40/53/23/557405323.db2.gz XJTDVSXZTNHNDM-DZGCQCFKSA-N -1 1 429.181 4.305 50 0 IIAAMM CCOc1ccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)c(C)o2)cc1OC ZINC000045924727 557549936 /nfs/dbraw/zinc/54/99/36/557549936.db2.gz LCGZPKWDDBXLSM-UHFFFAOYSA-N -1 1 441.431 4.452 50 0 IIAAMM CCc1cc(-c2[nH]nc(CCC(=O)[O-])c2-c2nnc(-c3ccccc3)s2)c(O)cc1O ZINC000009509071 562972569 /nfs/dbraw/zinc/97/25/69/562972569.db2.gz VUUBYHHHABSWNI-UHFFFAOYSA-N -1 1 436.493 4.253 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2NC(=O)c2ccccc2OC)cc1 ZINC000003265376 568744213 /nfs/dbraw/zinc/74/42/13/568744213.db2.gz WGJLPKTYTWSKFN-UHFFFAOYSA-N -1 1 440.521 4.455 50 0 IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccnc2)cc1OC ZINC000263585803 568759237 /nfs/dbraw/zinc/75/92/37/568759237.db2.gz MULJLXNLDVSDMO-HNNXBMFYSA-N -1 1 445.427 4.019 50 0 biogenic IIAAMM CC(=O)Nc1ccc(OC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000015541286 568797413 /nfs/dbraw/zinc/79/74/13/568797413.db2.gz QVNYVVZLGQMQLY-UHFFFAOYSA-N -1 1 438.505 4.282 50 0 IIAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc21 ZINC000015734512 568816503 /nfs/dbraw/zinc/81/65/03/568816503.db2.gz ITSXASAQWDHXHS-UHFFFAOYSA-N -1 1 446.472 4.235 50 0 IIAAMM COc1ccc(OC)c(CNCc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])c1 ZINC000015776893 568823623 /nfs/dbraw/zinc/82/36/23/568823623.db2.gz PKXZRGDZBMXNKE-UHFFFAOYSA-N -1 1 426.488 4.298 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)c2=O)cc1 ZINC000085879385 568839002 /nfs/dbraw/zinc/83/90/02/568839002.db2.gz AUTYPNIJXCTDCJ-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccc(O)c2)cc1 ZINC000085879385 568839003 /nfs/dbraw/zinc/83/90/03/568839003.db2.gz AUTYPNIJXCTDCJ-QGZVFWFLSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059843 569095680 /nfs/dbraw/zinc/09/56/80/569095680.db2.gz RJZYEOVIIKTFNG-UHFFFAOYSA-N -1 1 439.537 4.431 50 0 IIAAMM CCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059837 569095683 /nfs/dbraw/zinc/09/56/83/569095683.db2.gz CMFBHVDJVITOFY-UHFFFAOYSA-N -1 1 445.928 4.468 50 0 IIAAMM CCc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nc3ccccc3n12 ZINC000065096455 569103508 /nfs/dbraw/zinc/10/35/08/569103508.db2.gz KZBWQMGZECKEQM-UHFFFAOYSA-N -1 1 445.504 4.433 50 0 IIAAMM CSc1cccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1 ZINC000065115833 569106969 /nfs/dbraw/zinc/10/69/69/569106969.db2.gz KFZHGEHBEGCQSF-UHFFFAOYSA-N -1 1 431.539 4.440 50 0 IIAAMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1N1CCCCC1 ZINC000170617485 569147491 /nfs/dbraw/zinc/14/74/91/569147491.db2.gz DYLSXWLNSDHVCG-UHFFFAOYSA-N -1 1 447.560 4.148 50 0 IIAAMM Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000027651672 569288614 /nfs/dbraw/zinc/28/86/14/569288614.db2.gz UGPUFPCMKBTTTA-UHFFFAOYSA-N -1 1 446.326 4.206 50 0 IIAAMM C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000095996436 569378744 /nfs/dbraw/zinc/37/87/44/569378744.db2.gz CTRMFLYMYBUASV-OAHLLOKOSA-N -1 1 439.493 4.099 50 0 IIAAMM COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000003280933 569443902 /nfs/dbraw/zinc/44/39/02/569443902.db2.gz YJXIALPJXLYFKT-UHFFFAOYSA-N -1 1 448.500 4.089 50 0 IIAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(O)cc2)CC(=O)O4)cc1O ZINC000217671704 569451242 /nfs/dbraw/zinc/45/12/42/569451242.db2.gz DZZMCXMLGHKYLT-OAHLLOKOSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM CCOc1ccc2nc(Sc3ccccc3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000031839351 569458099 /nfs/dbraw/zinc/45/80/99/569458099.db2.gz PARJKAYRBGEBNB-MOSHPQCFSA-N -1 1 449.557 4.389 50 0 IIAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067298728 569468046 /nfs/dbraw/zinc/46/80/46/569468046.db2.gz HOJQECRGEZFPMN-BZIHZDCZSA-N -1 1 432.398 4.298 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccccc3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000038740501 569468614 /nfs/dbraw/zinc/46/86/14/569468614.db2.gz RANUMNIVHUDZPB-UHFFFAOYSA-N -1 1 438.447 4.251 50 0 IIAAMM Cc1noc(C)c1CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000008725722 569472236 /nfs/dbraw/zinc/47/22/36/569472236.db2.gz BJLIBKPIRFYYAC-UHFFFAOYSA-N -1 1 427.526 4.280 50 0 IIAAMM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2ccccc2s1 ZINC000008862247 569480149 /nfs/dbraw/zinc/48/01/49/569480149.db2.gz WXRPOLZAXJJDRA-UHFFFAOYSA-N -1 1 427.485 4.042 50 0 IIAAMM O=S(=O)([N-]c1cccc(OCCn2cccn2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040135040 569490655 /nfs/dbraw/zinc/49/06/55/569490655.db2.gz RRTHBPAJEVTNPV-UHFFFAOYSA-N -1 1 445.850 4.435 50 0 IIAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000040284679 569497932 /nfs/dbraw/zinc/49/79/32/569497932.db2.gz MKTUUKXLCKDMQT-SFHVURJKSA-N -1 1 446.385 4.186 50 0 IIAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000040309078 569498640 /nfs/dbraw/zinc/49/86/40/569498640.db2.gz NWUBMHUCKNNHDZ-GOSISDBHSA-N -1 1 441.285 4.050 50 0 biogenic IIAAMM CCN1c2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000009170525 569509350 /nfs/dbraw/zinc/50/93/50/569509350.db2.gz OTQBLVALMVIHDC-UHFFFAOYSA-N -1 1 426.897 4.051 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1ccccc1 ZINC000009288448 569519365 /nfs/dbraw/zinc/51/93/65/569519365.db2.gz GPDUWJIPIVLVRF-UHFFFAOYSA-N -1 1 438.505 4.341 50 0 IIAAMM O=C(NCCOc1ccc2ccccc2c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009378675 569527682 /nfs/dbraw/zinc/52/76/82/569527682.db2.gz KQKPEPSZXGUVNM-UHFFFAOYSA-N -1 1 446.528 4.449 50 0 IIAAMM O=C(CSc1nnc([N-]C(=O)c2nc3ccccc3s2)s1)OCc1ccccc1 ZINC000070635072 569548674 /nfs/dbraw/zinc/54/86/74/569548674.db2.gz UCERXNIEEVPKCI-UHFFFAOYSA-N -1 1 442.547 4.236 50 0 IIAAMM O=c1cc2nc(-c3cccc(F)c3)nc(SCCCOc3ccccc3Cl)n2[n-]1 ZINC000009641059 569555577 /nfs/dbraw/zinc/55/55/77/569555577.db2.gz XWRNURUBBQGNBJ-UHFFFAOYSA-N -1 1 430.892 4.438 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc2c(c1)CCCC2 ZINC000009714648 569562873 /nfs/dbraw/zinc/56/28/73/569562873.db2.gz RLJQTHARMUPFFW-UHFFFAOYSA-N -1 1 434.565 4.423 50 0 IIAAMM COc1cccc2sc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nc21 ZINC000009714887 569562936 /nfs/dbraw/zinc/56/29/36/569562936.db2.gz PHNIGHFCPVKCBX-UHFFFAOYSA-N -1 1 439.518 4.358 50 0 IIAAMM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc21 ZINC000020509683 519635234 /nfs/dbraw/zinc/63/52/34/519635234.db2.gz ZVVZKUIGPXPPNJ-LLVKDONJSA-N -1 1 430.473 4.353 50 0 IIAAMM CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000012741934 519890390 /nfs/dbraw/zinc/89/03/90/519890390.db2.gz UHADZMBINHBNBC-UHFFFAOYSA-N -1 1 436.946 4.368 50 0 IIAAMM CC[C@@H](C)NC(=O)CSc1[n-]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112508 522168483 /nfs/dbraw/zinc/16/84/83/522168483.db2.gz XJBAXKOYWFFOOC-MRXNPFEDSA-N -1 1 443.594 4.225 50 0 IIAAMM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)c1C ZINC000021043104 524662746 /nfs/dbraw/zinc/66/27/46/524662746.db2.gz IQRGXYJYOPGKOB-UHFFFAOYSA-N -1 1 438.505 4.128 50 0 IIAAMM COc1ccc(OC)c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000012566039 524802381 /nfs/dbraw/zinc/80/23/81/524802381.db2.gz IYLVQPKNPLQHSH-LCUIJRPUSA-N -1 1 431.448 4.344 50 0 IIAAMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000012783703 526979855 /nfs/dbraw/zinc/97/98/55/526979855.db2.gz LWKLLSKHMGNLLK-UHFFFAOYSA-N -1 1 429.723 4.030 50 0 IIAAMM O=C(Nc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1)C1CC1 ZINC000022112300 527162856 /nfs/dbraw/zinc/16/28/56/527162856.db2.gz UHONGRQTIGNPIS-UHFFFAOYSA-N -1 1 445.500 4.357 50 0 IIAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1F ZINC000012552452 527233594 /nfs/dbraw/zinc/23/35/94/527233594.db2.gz MHTIBZIRYQAQDS-UHFFFAOYSA-N -1 1 442.468 4.040 50 0 IIAAMM COc1ccc(Cc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC ZINC000000804712 555559590 /nfs/dbraw/zinc/55/95/90/555559590.db2.gz CDDVOFCOUPPJLG-UHFFFAOYSA-N -1 1 436.493 4.362 50 0 IIAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(C)c1 ZINC000001145898 555653246 /nfs/dbraw/zinc/65/32/46/555653246.db2.gz NRRUTJVTLBIFTI-UHFFFAOYSA-N -1 1 448.541 4.353 50 0 IIAAMM CSc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000009472385 556293533 /nfs/dbraw/zinc/29/35/33/556293533.db2.gz TZDBEOMQHZLIMI-MPGHIAIKSA-N -1 1 444.862 4.166 50 0 IIAAMM Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C(=O)[O-])n(C)c4)cc3)sc2c1 ZINC000032765594 556332888 /nfs/dbraw/zinc/33/28/88/556332888.db2.gz LUDJLMPCBNWLOW-UHFFFAOYSA-N -1 1 427.507 4.109 50 0 IIAAMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000072275405 556455102 /nfs/dbraw/zinc/45/51/02/556455102.db2.gz GMGQFPHHQNTLPS-UHFFFAOYSA-N -1 1 446.912 4.460 50 0 IIAAMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)c2c(=O)[n-]c(SCC(C)C)nc2N1 ZINC000013120174 556472323 /nfs/dbraw/zinc/47/23/23/556472323.db2.gz AWVJNFPFVASLHO-QGZVFWFLSA-N -1 1 431.533 4.440 50 0 IIAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc2[nH]cnc2c1 ZINC000030121707 556490603 /nfs/dbraw/zinc/49/06/03/556490603.db2.gz YVVYTZXNSAUNSH-UHFFFAOYSA-N -1 1 426.885 4.269 50 0 IIAAMM O=C(COc1cccc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015981922 556570918 /nfs/dbraw/zinc/57/09/18/556570918.db2.gz YPDPUKXQBYCFAP-UHFFFAOYSA-N -1 1 434.876 4.297 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccncc3)c2)cc1OCC ZINC000032915910 556613177 /nfs/dbraw/zinc/61/31/77/556613177.db2.gz PZKCXCHONQKFFT-UHFFFAOYSA-N -1 1 428.510 4.259 50 0 IIAAMM CCc1cc2c([n-]c(=S)n(NC(=O)CSCc3ccc(F)cc3Cl)c2=O)s1 ZINC000019639612 556836962 /nfs/dbraw/zinc/83/69/62/556836962.db2.gz MLXLYWANHHJPNI-UHFFFAOYSA-N -1 1 443.978 4.479 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)cc1 ZINC000033122854 556863635 /nfs/dbraw/zinc/86/36/35/556863635.db2.gz TXYSLBXUKOQGCM-UHFFFAOYSA-N -1 1 435.461 4.242 50 0 IIAAMM CN(C)c1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)cc1 ZINC000033122958 556864079 /nfs/dbraw/zinc/86/40/79/556864079.db2.gz DANZXDUWERUVQL-UHFFFAOYSA-N -1 1 438.484 4.410 50 0 IIAAMM COc1ccc(OC)c(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000020228996 557001723 /nfs/dbraw/zinc/00/17/23/557001723.db2.gz KXELQYIIPALFNA-UHFFFAOYSA-N -1 1 443.550 4.314 50 0 IIAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)c1 ZINC000046074839 557031465 /nfs/dbraw/zinc/03/14/65/557031465.db2.gz DOHGNHZQKPWKQV-GOSISDBHSA-N -1 1 448.548 4.052 50 0 IIAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000046075614 557032469 /nfs/dbraw/zinc/03/24/69/557032469.db2.gz ZQKDTZYWHMFJJK-SFHVURJKSA-N -1 1 448.548 4.052 50 0 IIAAMM Cc1ccc(S(=O)(=O)c2ccc(-n3cc(C(=O)c4cc(C)ccc4[O-])cn3)cc2)cc1 ZINC000025393005 557207532 /nfs/dbraw/zinc/20/75/32/557207532.db2.gz FOLMNISTGIIESU-UHFFFAOYSA-N -1 1 432.501 4.259 50 0 IIAAMM COCCOc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000024955878 557269214 /nfs/dbraw/zinc/26/92/14/557269214.db2.gz VIXVFJYZNPUPPC-UHFFFAOYSA-N -1 1 439.839 4.193 50 0 IIAAMM CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S ZINC000101495509 557288980 /nfs/dbraw/zinc/28/89/80/557288980.db2.gz KGBNHWFETNABJX-HNNXBMFYSA-N -1 1 434.949 4.153 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccs3)C(=O)c3cccs3)nn2c1=O ZINC000101861506 557303950 /nfs/dbraw/zinc/30/39/50/557303950.db2.gz QMWLPDQYLQDXSC-UHFFFAOYSA-N -1 1 427.555 4.039 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1)c1ccc(F)cc1 ZINC000033276521 557328944 /nfs/dbraw/zinc/32/89/44/557328944.db2.gz BOGIUNKYASYSRW-UHFFFAOYSA-N -1 1 443.431 4.395 50 0 IIAAMM 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C[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1 ZINC000021702533 525236282 /nfs/dbraw/zinc/23/62/82/525236282.db2.gz KWTBCIKGKLEPEE-INIZCTEOSA-N -1 1 448.504 4.028 50 0 IIAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000001058592 555615406 /nfs/dbraw/zinc/61/54/06/555615406.db2.gz ALVRJPBYTVABLL-UHFFFAOYSA-N -1 1 434.564 4.010 50 0 IIAAMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000001073107 555622113 /nfs/dbraw/zinc/62/21/13/555622113.db2.gz QVKUQUCXTYGNLI-UHFFFAOYSA-N -1 1 438.505 4.225 50 0 IIAAMM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000002884109 555856956 /nfs/dbraw/zinc/85/69/56/555856956.db2.gz PSTPDBGPSJFBBQ-UHFFFAOYSA-N -1 1 438.549 4.351 50 0 IIAAMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000013940109 556337642 /nfs/dbraw/zinc/33/76/42/556337642.db2.gz OIFMCNXFVJLZDC-VGOFMYFVSA-N -1 1 425.641 4.001 50 0 IIAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000028466754 556455301 /nfs/dbraw/zinc/45/53/01/556455301.db2.gz BUGLEFONODGNNB-CYBMUJFWSA-N -1 1 426.325 4.193 50 0 IIAAMM O=C(NCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033274590 556558786 /nfs/dbraw/zinc/55/87/86/556558786.db2.gz XSGRHMCUERUBTO-UHFFFAOYSA-N -1 1 438.524 4.017 50 0 IIAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccc(Cl)cc4)cc3)cc2oc1=O ZINC000016448434 556608702 /nfs/dbraw/zinc/60/87/02/556608702.db2.gz BBVHCKWUEICJRW-UHFFFAOYSA-N -1 1 430.869 4.378 50 0 IIAAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000017243082 556674276 /nfs/dbraw/zinc/67/42/76/556674276.db2.gz HKLWTKKDOGHQGI-SFHVURJKSA-N -1 1 443.569 4.310 50 0 IIAAMM O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)NCCc1ccc(F)cc1 ZINC000023138271 557021348 /nfs/dbraw/zinc/02/13/48/557021348.db2.gz WDTSYOIJYUIKGN-UHFFFAOYSA-N -1 1 431.920 4.168 50 0 IIAAMM O=C(C1CC1)N1CCSc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000032943956 557022320 /nfs/dbraw/zinc/02/23/20/557022320.db2.gz UNOLRRDZFDKTMB-UHFFFAOYSA-N -1 1 442.484 4.355 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2)c1 ZINC000017358342 557062536 /nfs/dbraw/zinc/06/25/36/557062536.db2.gz HTTHJHMVCAOIFW-UHFFFAOYSA-N -1 1 449.576 4.067 50 0 IIAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2s1 ZINC000033299045 557075226 /nfs/dbraw/zinc/07/52/26/557075226.db2.gz ICESGMSPGNGFCT-UHFFFAOYSA-N -1 1 438.596 4.404 50 0 IIAAMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000010904941 557086954 /nfs/dbraw/zinc/08/69/54/557086954.db2.gz WTYDDXPTNHXDNZ-UHFFFAOYSA-N -1 1 446.580 4.094 50 0 IIAAMM C[C@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)C1 ZINC000049421359 557108051 /nfs/dbraw/zinc/10/80/51/557108051.db2.gz GGCBXVWQDIRCSF-WMZOPIPTSA-N -1 1 436.581 4.127 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000024754874 557162941 /nfs/dbraw/zinc/16/29/41/557162941.db2.gz WCJOUBACUROYGJ-UHFFFAOYSA-N -1 1 444.944 4.328 50 0 IIAAMM Cc1noc(C)c1CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000025043385 557190373 /nfs/dbraw/zinc/19/03/73/557190373.db2.gz NOEOSNFZXIAWEX-UHFFFAOYSA-N -1 1 431.489 4.111 50 0 IIAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCCCc5ccccc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282019 557267103 /nfs/dbraw/zinc/26/71/03/557267103.db2.gz SYRVUXATKRNYHF-UHFFFAOYSA-N -1 1 436.515 4.490 50 0 IIAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCCc5ccccc5)ccc4[n-]cc-3c2=O)cc1C ZINC000101282083 557267177 /nfs/dbraw/zinc/26/71/77/557267177.db2.gz CJDRLYDQKVXLRR-UHFFFAOYSA-N -1 1 436.515 4.408 50 0 IIAAMM Cc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860853 557303807 /nfs/dbraw/zinc/30/38/07/557303807.db2.gz NKDIBNNOLLWJBB-UHFFFAOYSA-N -1 1 443.551 4.487 50 0 IIAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000102288492 557317463 /nfs/dbraw/zinc/31/74/63/557317463.db2.gz YWYRWSCLJHONKO-RTBURBONSA-N -1 1 446.956 4.124 50 0 IIAAMM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000102735961 557373143 /nfs/dbraw/zinc/37/31/43/557373143.db2.gz YCFGGOFKEXXIIW-WXFUMESZSA-N -1 1 428.488 4.363 50 0 IIAAMM COc1cccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)c(C)o2)c1OC ZINC000045924703 557549927 /nfs/dbraw/zinc/54/99/27/557549927.db2.gz VSRNIPMRAKYFTA-UHFFFAOYSA-N -1 1 427.404 4.062 50 0 IIAAMM CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H]1c1ccco1 ZINC000225514627 557733285 /nfs/dbraw/zinc/73/32/85/557733285.db2.gz RQCQHIVRRTUKLT-HXUWFJFHSA-N -1 1 443.912 4.431 50 0 IIAAMM CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H]1c1ccco1 ZINC000225514586 557733320 /nfs/dbraw/zinc/73/33/20/557733320.db2.gz RQCQHIVRRTUKLT-FQEVSTJZSA-N -1 1 443.912 4.431 50 0 IIAAMM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000086057824 568642330 /nfs/dbraw/zinc/64/23/30/568642330.db2.gz WDQDLOWWBIQEFM-KRWDZBQOSA-N -1 1 425.485 4.074 50 0 IIAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000086057620 568642760 /nfs/dbraw/zinc/64/27/60/568642760.db2.gz GEJDWPJYFHQXMO-QGZVFWFLSA-N -1 1 439.512 4.464 50 0 IIAAMM CCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)c2ccc([O-])cc2oc1=O ZINC000263586207 568759269 /nfs/dbraw/zinc/75/92/69/568759269.db2.gz RHBWKKLMNBJGCK-JOCHJYFZSA-N -1 1 446.503 4.423 50 0 biogenic IIAAMM COc1ccc(C(=O)CSc2nc(O)c(Cc3c(F)cccc3Cl)c(=O)[n-]2)cc1 ZINC000575443909 568869726 /nfs/dbraw/zinc/86/97/26/568869726.db2.gz VZYOKLRQGSBNGS-UHFFFAOYSA-N -1 1 434.876 4.255 50 0 IIAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000245240526 568913251 /nfs/dbraw/zinc/91/32/51/568913251.db2.gz ZDTSWYWUPWCDBR-NJYVYQBISA-N -1 1 448.862 4.089 50 0 IIAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064580465 568934537 /nfs/dbraw/zinc/93/45/37/568934537.db2.gz BYINPOFXUHPIEN-UHFFFAOYSA-N -1 1 437.565 4.296 50 0 IIAAMM CCCCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1 ZINC000064611783 568941638 /nfs/dbraw/zinc/94/16/38/568941638.db2.gz HRNGOPRBZKEGIS-UHFFFAOYSA-N -1 1 438.597 4.483 50 0 IIAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 ZINC000064747802 568950347 /nfs/dbraw/zinc/95/03/47/568950347.db2.gz PGQGOYMYFWKSHT-UHFFFAOYSA-N -1 1 449.488 4.299 50 0 IIAAMM CNC(=O)c1sc2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2c1OC ZINC000064755670 568951140 /nfs/dbraw/zinc/95/11/40/568951140.db2.gz PYIOOUGOSXXSAS-UHFFFAOYSA-N -1 1 432.567 4.304 50 0 IIAAMM Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)[N-]c4ccc5c(c4)OCCO5)c3)o2)cc1 ZINC000064987973 569082780 /nfs/dbraw/zinc/08/27/80/569082780.db2.gz QVRXUOLWKVVJCT-UHFFFAOYSA-N -1 1 449.488 4.284 50 0 IIAAMM O=C(NC1CCC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059818 569095707 /nfs/dbraw/zinc/09/57/07/569095707.db2.gz JDMKGAVJBICBEL-UHFFFAOYSA-N -1 1 441.484 4.096 50 0 IIAAMM CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059811 569095711 /nfs/dbraw/zinc/09/57/11/569095711.db2.gz ZTOFXFATKHOXMT-UHFFFAOYSA-N -1 1 425.510 4.041 50 0 IIAAMM COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)c2ccc([O-])cc2oc1=O ZINC000253411694 569265887 /nfs/dbraw/zinc/26/58/87/569265887.db2.gz OYPJJSCFCHLKIX-OAQYLSRUSA-N -1 1 432.476 4.033 50 0 biogenic IIAAMM CCOC(=O)C1=C(NC(=O)COc2ccccc2Cl)[N-]c2ccccc2N=C1CC ZINC000013038114 569307694 /nfs/dbraw/zinc/30/76/94/569307694.db2.gz OZROUSKDCZRMMJ-UHFFFAOYSA-N -1 1 427.888 4.218 50 0 IIAAMM O=S(=O)([N-]c1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(F)c(Cl)c1 ZINC000096119624 569384686 /nfs/dbraw/zinc/38/46/86/569384686.db2.gz GWRDRIAUIJNTNM-UHFFFAOYSA-N -1 1 444.875 4.316 50 0 IIAAMM Cn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000038206323 569462423 /nfs/dbraw/zinc/46/24/23/569462423.db2.gz RATPUKAXDDJHAM-UHFFFAOYSA-N -1 1 429.885 4.152 50 0 IIAAMM O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1[O-])Nc1ccc(OC(F)(F)F)cc1 ZINC000008719490 569471434 /nfs/dbraw/zinc/47/14/34/569471434.db2.gz JHARHVILCDTAFO-HNNXBMFYSA-N -1 1 448.426 4.073 50 0 IIAAMM O=S(=O)([N-]c1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000040152664 569493513 /nfs/dbraw/zinc/49/35/13/569493513.db2.gz BAJDVKVVNCQGFI-QFIPXVFZSA-N -1 1 445.924 4.384 50 0 IIAAMM O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC000040267274 569497377 /nfs/dbraw/zinc/49/73/77/569497377.db2.gz XGLAWFHWQZMCNP-SFHVURJKSA-N -1 1 446.385 4.186 50 0 IIAAMM CCOC(=O)CSc1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)s1 ZINC000009368366 569526632 /nfs/dbraw/zinc/52/66/32/569526632.db2.gz NBMGVKOUHSYYDG-UHFFFAOYSA-N -1 1 438.918 4.062 50 0 IIAAMM O=C(CCC1CCCC1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009413595 569531780 /nfs/dbraw/zinc/53/17/80/569531780.db2.gz LVPBWRSCPPIBLC-UHFFFAOYSA-N -1 1 430.526 4.168 50 0 IIAAMM CCn1c(CSc2nccc(C)n2)nc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000009421437 569532786 /nfs/dbraw/zinc/53/27/86/569532786.db2.gz KLUWUJIEZWBLHZ-UHFFFAOYSA-N -1 1 439.566 4.248 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Cc1ccccc1 ZINC000009539683 569545655 /nfs/dbraw/zinc/54/56/55/569545655.db2.gz ZDMLAEPJXNDGMQ-UHFFFAOYSA-N -1 1 430.913 4.331 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)OCCCO4)c2)cc1 ZINC000009590948 569550071 /nfs/dbraw/zinc/55/00/71/569550071.db2.gz BJJWILKGTAKEAE-UHFFFAOYSA-N -1 1 438.505 4.209 50 0 IIAAMM COc1ccc(Cl)cc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597751 569550955 /nfs/dbraw/zinc/55/09/55/569550955.db2.gz XZDBNKIMXSVTDV-SFHVURJKSA-N -1 1 436.942 4.068 50 0 IIAAMM CCc1ccc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[n-]n32)cc1 ZINC000009641712 569555693 /nfs/dbraw/zinc/55/56/93/569555693.db2.gz ZZSMVMLTCPIYNG-UHFFFAOYSA-N -1 1 439.928 4.031 50 0 IIAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1)[nH]c1c2C(=O)CCC1 ZINC000009685847 569560729 /nfs/dbraw/zinc/56/07/29/569560729.db2.gz VRDFTFHLKRIMDI-UHFFFAOYSA-N -1 1 428.510 4.067 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nc4ccccc4s3)c2)cc1 ZINC000009714853 569562918 /nfs/dbraw/zinc/56/29/18/569562918.db2.gz VXKVYOPXTXIHDA-UHFFFAOYSA-N -1 1 439.518 4.358 50 0 IIAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[n-]c1=O ZINC000009822469 569569477 /nfs/dbraw/zinc/56/94/77/569569477.db2.gz XZJNMEWRLVFFGM-UHFFFAOYSA-N -1 1 439.947 4.239 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000009129525 132305787 /nfs/dbraw/zinc/30/57/87/132305787.db2.gz JCTIKZHMCUXTOI-UHFFFAOYSA-N -1 1 441.475 4.455 50 0 IIAAMM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c1Cl ZINC000010762324 132336516 /nfs/dbraw/zinc/33/65/16/132336516.db2.gz XLFQRYOSHKINEQ-UHFFFAOYSA-N -1 1 428.385 4.163 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4cccc(C)c4n3)ccc2C)cc1 ZINC000021173388 519731699 /nfs/dbraw/zinc/73/16/99/519731699.db2.gz VAXJMPHDZIXBNY-UHFFFAOYSA-N -1 1 434.521 4.377 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)COc2ccc3ccccc3c2)n1 ZINC000012126271 519830990 /nfs/dbraw/zinc/83/09/90/519830990.db2.gz HSXMSCZYUHCRFU-UHFFFAOYSA-N -1 1 443.507 4.127 50 0 IIAAMM CC(C)c1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000012126311 519838081 /nfs/dbraw/zinc/83/80/81/519838081.db2.gz GZMVIRGZRUHMIB-UHFFFAOYSA-N -1 1 435.528 4.097 50 0 IIAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000035684058 521166116 /nfs/dbraw/zinc/16/61/16/521166116.db2.gz MSWPLSVWQUBRGC-OAQYLSRUSA-N -1 1 437.521 4.477 50 0 IIAAMM COc1ccc(Br)cc1-c1nc(CSc2nc3c(c(=O)[n-]2)CCC3)c(C)o1 ZINC000035480814 523486651 /nfs/dbraw/zinc/48/66/51/523486651.db2.gz YIEJCEHNCUQIBE-UHFFFAOYSA-N -1 1 448.342 4.285 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(C)s1 ZINC000012630719 525422865 /nfs/dbraw/zinc/42/28/65/525422865.db2.gz MRJNDFNWDQFFCU-UHFFFAOYSA-N -1 1 440.543 4.106 50 0 IIAAMM CSc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)c1 ZINC000020893848 526139595 /nfs/dbraw/zinc/13/95/95/526139595.db2.gz QOHWPBRCRCKCIC-UHFFFAOYSA-N -1 1 441.578 4.147 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2cccnc2)cc1 ZINC000009679606 556306133 /nfs/dbraw/zinc/30/61/33/556306133.db2.gz NXDNSSVDSBKENF-NRFANRHFSA-N -1 1 430.489 4.460 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2cccnc2)cc1 ZINC000009679606 556306136 /nfs/dbraw/zinc/30/61/36/556306136.db2.gz NXDNSSVDSBKENF-NRFANRHFSA-N -1 1 430.489 4.460 50 0 IIAAMM O=C([O-])C1(CC(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)CCCCCC1 ZINC000013469697 556507442 /nfs/dbraw/zinc/50/74/42/556507442.db2.gz JLQWCOHOKRJNJW-UHFFFAOYSA-N -1 1 430.526 4.241 50 0 IIAAMM CN(Cc1ccc(F)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015477685 556530200 /nfs/dbraw/zinc/53/02/00/556530200.db2.gz NUJAVXFWJRZLRI-UHFFFAOYSA-N -1 1 434.439 4.177 50 0 IIAAMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000032904731 556544659 /nfs/dbraw/zinc/54/46/59/556544659.db2.gz JMQAHWICTSVWJD-AWEZNQCLSA-N -1 1 428.460 4.357 50 0 IIAAMM O=C(NCC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000033274762 556559082 /nfs/dbraw/zinc/55/90/82/556559082.db2.gz RZPKUDMQLQZBKT-UHFFFAOYSA-N -1 1 430.545 4.355 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000016400639 556605524 /nfs/dbraw/zinc/60/55/24/556605524.db2.gz KMAVHSTVFSECMM-UHFFFAOYSA-N -1 1 435.299 4.404 50 0 IIAAMM O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[n-]1)CCC2)c1cc2ccccc2o1 ZINC000011855824 556662448 /nfs/dbraw/zinc/66/24/48/556662448.db2.gz STTPLBBADYDILP-UHFFFAOYSA-N -1 1 443.488 4.171 50 0 IIAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1 ZINC000017720700 556679118 /nfs/dbraw/zinc/67/91/18/556679118.db2.gz NQILIQDJMSNNHL-UHFFFAOYSA-N -1 1 436.515 4.442 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)CSCc2ccccc2)n1 ZINC000012007845 556680782 /nfs/dbraw/zinc/68/07/82/556680782.db2.gz YUHTWVDZPBOWBN-UHFFFAOYSA-N -1 1 449.536 4.211 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137510169 556696961 /nfs/dbraw/zinc/69/69/61/556696961.db2.gz JQUZKCPXNCFLNV-RBZQAINGSA-N -1 1 444.487 4.063 50 0 IIAAMM COc1ccc(CCn2c(=S)[n-]nc2C(O)(c2ccccc2)c2ccccc2)cc1OC ZINC000019646276 556840522 /nfs/dbraw/zinc/84/05/22/556840522.db2.gz GYEYXDHJSXJBDH-UHFFFAOYSA-N -1 1 447.560 4.485 50 0 IIAAMM CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000033138450 556869901 /nfs/dbraw/zinc/86/99/01/556869901.db2.gz QJOPWWVWMNOXDC-UHFFFAOYSA-N -1 1 447.969 4.437 50 0 IIAAMM CCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138517 556871059 /nfs/dbraw/zinc/87/10/59/556871059.db2.gz VIIBXOYSFOLPRZ-UHFFFAOYSA-N -1 1 427.551 4.173 50 0 IIAAMM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000033171400 556882308 /nfs/dbraw/zinc/88/23/08/556882308.db2.gz DQDQBEXBHQSJBK-UHFFFAOYSA-N -1 1 444.463 4.101 50 0 IIAAMM CCn1c(C2CCN(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)n[n-]c1=S ZINC000097164658 556994643 /nfs/dbraw/zinc/99/46/43/556994643.db2.gz HIQCODHIAYJXQN-UHFFFAOYSA-N -1 1 436.532 4.250 50 0 IIAAMM COc1cc(OC)cc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)c1 ZINC000033276405 557056683 /nfs/dbraw/zinc/05/66/83/557056683.db2.gz BRIGWXLEISUMNP-UHFFFAOYSA-N -1 1 437.477 4.222 50 0 IIAAMM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)s1 ZINC000033303172 557083894 /nfs/dbraw/zinc/08/38/94/557083894.db2.gz CZDYHRRWFXDBQM-QPJJXVBHSA-N -1 1 439.465 4.252 50 0 IIAAMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)s1 ZINC000011325437 557089192 /nfs/dbraw/zinc/08/91/92/557089192.db2.gz LZPCFVYGAMITGZ-UHFFFAOYSA-N -1 1 444.534 4.271 50 0 IIAAMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000060738756 557110672 /nfs/dbraw/zinc/11/06/72/557110672.db2.gz PENNZYYZRKGRRP-UHFFFAOYSA-N -1 1 439.468 4.187 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000017746575 557115427 /nfs/dbraw/zinc/11/54/27/557115427.db2.gz JQUZKCPXNCFLNV-VXNXHJTFSA-N -1 1 444.487 4.063 50 0 IIAAMM Cc1nc(SCC(=O)c2ccc(Br)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000016400685 557151082 /nfs/dbraw/zinc/15/10/82/557151082.db2.gz WDZRFVDDYQVCHJ-UHFFFAOYSA-N -1 1 429.339 4.407 50 0 IIAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(F)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281878 557266929 /nfs/dbraw/zinc/26/69/29/557266929.db2.gz FTYUAPGTJVEYFE-UHFFFAOYSA-N -1 1 426.451 4.196 50 0 IIAAMM COc1cccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)c1 ZINC000101282014 557267109 /nfs/dbraw/zinc/26/71/09/557267109.db2.gz QITSHHWXLONAFW-UHFFFAOYSA-N -1 1 438.487 4.066 50 0 IIAAMM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000100859188 557277442 /nfs/dbraw/zinc/27/74/42/557277442.db2.gz HTLBLNJSRCKRAV-HIFRSBDPSA-N -1 1 440.080 4.048 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)nn2c1=O ZINC000101861388 557303960 /nfs/dbraw/zinc/30/39/60/557303960.db2.gz DYIRLLFESXMQDC-UHFFFAOYSA-N -1 1 433.487 4.055 50 0 IIAAMM CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)nc1 ZINC000033138481 557325484 /nfs/dbraw/zinc/32/54/84/557325484.db2.gz RRGARNGKKSSVRF-UHFFFAOYSA-N -1 1 427.551 4.092 50 0 IIAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1)C(C(=O)OCC)=C(C)N2 ZINC000044973767 557541977 /nfs/dbraw/zinc/54/19/77/557541977.db2.gz FOMXHYJZUJASDI-KRWDZBQOSA-N -1 1 429.542 4.065 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c2)c1 ZINC000009931521 562977818 /nfs/dbraw/zinc/97/78/18/562977818.db2.gz QURGFNYPNUZDMG-INIZCTEOSA-N -1 1 426.460 4.210 50 0 IIAAMM CCOc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)cc1 ZINC000040058086 563099393 /nfs/dbraw/zinc/09/93/93/563099393.db2.gz FYFNGOKRLTZWNW-UHFFFAOYSA-N -1 1 440.477 4.123 50 0 IIAAMM O=C(CSc1nnc([N-]C(=O)c2nc3ccccc3s2)s1)Nc1ccccc1F ZINC000043939674 568743703 /nfs/dbraw/zinc/74/37/03/568743703.db2.gz BCNVVLMKEDUSLE-UHFFFAOYSA-N -1 1 445.526 4.270 50 0 IIAAMM COc1ccc(-n2c([O-])c(C(c3ccc(F)cc3)c3ccc(F)cc3)c(=O)[nH]c2=O)cc1 ZINC000001406606 568787105 /nfs/dbraw/zinc/78/71/05/568787105.db2.gz 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CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000065116361 569107387 /nfs/dbraw/zinc/10/73/87/569107387.db2.gz CMOGXQVLOLBIFR-UHFFFAOYSA-N -1 1 431.489 4.419 50 0 IIAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000065241620 569118907 /nfs/dbraw/zinc/11/89/07/569118907.db2.gz CHWIIXVGOMTROV-UHFFFAOYSA-N -1 1 445.447 4.323 50 0 IIAAMM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)cc2=O)cc1 ZINC000078903035 569320086 /nfs/dbraw/zinc/32/00/86/569320086.db2.gz HBLLJZGZGKRSKK-UHFFFAOYSA-N -1 1 427.439 4.409 50 0 IIAAMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000003315838 569445722 /nfs/dbraw/zinc/44/57/22/569445722.db2.gz KMCVLRTYQJCULU-UHFFFAOYSA-N -1 1 430.913 4.331 50 0 IIAAMM O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000003424481 569450495 /nfs/dbraw/zinc/45/04/95/569450495.db2.gz MEQPHFHLSRKBJC-UHFFFAOYSA-N -1 1 434.876 4.297 50 0 IIAAMM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 ZINC000008840872 569478439 /nfs/dbraw/zinc/47/84/39/569478439.db2.gz JMXGECYWNKWUIM-UHFFFAOYSA-N -1 1 443.569 4.017 50 0 IIAAMM CC1CCN(c2nnc([N-]C(=O)c3cc(-c4ccc(Br)cc4)on3)s2)CC1 ZINC000008911519 569484866 /nfs/dbraw/zinc/48/48/66/569484866.db2.gz VJIVMYIMMSWTPF-UHFFFAOYSA-N -1 1 448.346 4.444 50 0 IIAAMM COc1ccc(OC)c(CNCc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])c1 ZINC000008932747 569487644 /nfs/dbraw/zinc/48/76/44/569487644.db2.gz KOZBQJGLONIHGZ-UHFFFAOYSA-N -1 1 426.488 4.298 50 0 IIAAMM CCN1c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2OCC(C)(C)C1=O ZINC000009166177 569508829 /nfs/dbraw/zinc/50/88/29/569508829.db2.gz DEPZEIUHRDIBCH-UHFFFAOYSA-N -1 1 430.570 4.493 50 0 IIAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2OCC(C)(C)C1=O ZINC000009167612 569509007 /nfs/dbraw/zinc/50/90/07/569509007.db2.gz YAUNVFZEKXNFAX-UHFFFAOYSA-N -1 1 432.542 4.048 50 0 IIAAMM CC(C)C(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1c1ccco1 ZINC000009260686 569516929 /nfs/dbraw/zinc/51/69/29/569516929.db2.gz SOUXZEDWURSBQU-NRFANRHFSA-N -1 1 437.521 4.414 50 0 IIAAMM CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009645959 569556170 /nfs/dbraw/zinc/55/61/70/569556170.db2.gz OFMMGXSMSJEZDB-UHFFFAOYSA-N -1 1 449.576 4.360 50 0 IIAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000009822233 569569488 /nfs/dbraw/zinc/56/94/88/569569488.db2.gz QKDQZHSPGZHGQC-UHFFFAOYSA-N -1 1 439.947 4.320 50 0 IIAAMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2c1 ZINC000003355031 132264448 /nfs/dbraw/zinc/26/44/48/132264448.db2.gz QDAXZZLSRFOLBE-UHFFFAOYSA-N -1 1 436.455 4.496 50 0 IIAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000013130486 132345499 /nfs/dbraw/zinc/34/54/99/132345499.db2.gz GYVLDGGNYSJAFI-UHFFFAOYSA-N -1 1 428.476 4.466 50 0 IIAAMM CC(C)CCNC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112470 519656529 /nfs/dbraw/zinc/65/65/29/519656529.db2.gz SNFINVYACWXSQQ-UHFFFAOYSA-N -1 1 443.594 4.164 50 0 IIAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000020990067 519727057 /nfs/dbraw/zinc/72/70/57/519727057.db2.gz QJIHAVPWMWJEQK-UHFFFAOYSA-N -1 1 439.537 4.391 50 0 IIAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1O ZINC000020464008 520785387 /nfs/dbraw/zinc/78/53/87/520785387.db2.gz ZWHJNEKHMJXQBY-MRXNPFEDSA-N -1 1 437.521 4.361 50 0 IIAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC000012733137 520805369 /nfs/dbraw/zinc/80/53/69/520805369.db2.gz SSLFNYXFFSMLFU-ZDUSSCGKSA-N -1 1 442.990 4.195 50 0 IIAAMM CC1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)CC1 ZINC000012766450 520990838 /nfs/dbraw/zinc/99/08/38/520990838.db2.gz SMQKNYUPDBODQC-UHFFFAOYSA-N -1 1 437.359 4.122 50 0 IIAAMM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000035397232 521376328 /nfs/dbraw/zinc/37/63/28/521376328.db2.gz DPQHWBIPRNGGSQ-UHFFFAOYSA-N -1 1 445.928 4.261 50 0 IIAAMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000012536056 521989957 /nfs/dbraw/zinc/98/99/57/521989957.db2.gz NYZSHKGAQGBXMO-UHFFFAOYSA-N -1 1 439.493 4.226 50 0 IIAAMM CC[C@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000021534801 522046935 /nfs/dbraw/zinc/04/69/35/522046935.db2.gz ZZLAMEMSTHIJEF-HNNXBMFYSA-N -1 1 434.521 4.296 50 0 IIAAMM Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])cc1 ZINC000012821464 524274274 /nfs/dbraw/zinc/27/42/74/524274274.db2.gz XUWNVFXRWFFHLR-UHFFFAOYSA-N -1 1 430.913 4.336 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](C)c3ccccc3)c2)cc1F ZINC000012731236 525611080 /nfs/dbraw/zinc/61/10/80/525611080.db2.gz RWMWNOMBGRJJAO-KRWDZBQOSA-N -1 1 426.513 4.468 50 0 IIAAMM Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015669358 525788202 /nfs/dbraw/zinc/78/82/02/525788202.db2.gz MMVZBNUZPNJPIJ-UHFFFAOYSA-N -1 1 429.929 4.078 50 0 IIAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000012508152 526777885 /nfs/dbraw/zinc/77/78/85/526777885.db2.gz XLPNCIZPOQERBB-OXQOHEQNSA-N -1 1 442.537 4.011 50 0 IIAAMM O=S(=O)([N-]c1ccccc1S(=O)(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000012548607 527254571 /nfs/dbraw/zinc/25/45/71/527254571.db2.gz CZRHODRKKBLMPV-UHFFFAOYSA-N -1 1 442.562 4.167 50 0 IIAAMM Cn1ccnc1[C@H](O)c1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000012428195 527468128 /nfs/dbraw/zinc/46/81/28/527468128.db2.gz DQBFGFIPCNPZQU-JOCHJYFZSA-N -1 1 433.489 4.202 50 0 IIAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000001076864 555624579 /nfs/dbraw/zinc/62/45/79/555624579.db2.gz QYSHRONIRWYQQN-UHFFFAOYSA-N -1 1 438.530 4.441 50 0 IIAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000001079254 555625631 /nfs/dbraw/zinc/62/56/31/555625631.db2.gz PKNZPJOHFUSNSV-UHFFFAOYSA-N -1 1 448.591 4.319 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000008595836 556190690 /nfs/dbraw/zinc/19/06/90/556190690.db2.gz QNHHDDVMZNPHBB-JOCHJYFZSA-N -1 1 429.432 4.302 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000008595837 556190711 /nfs/dbraw/zinc/19/07/11/556190711.db2.gz QNHHDDVMZNPHBB-QFIPXVFZSA-N -1 1 429.432 4.302 50 0 IIAAMM CCCc1cc(-c2[nH]nc(COCC(=O)[O-])c2-c2nc3ccccc3s2)c(O)cc1O ZINC000011867634 556368627 /nfs/dbraw/zinc/36/86/27/556368627.db2.gz BTBWAHXPQOTMER-UHFFFAOYSA-N -1 1 439.493 4.318 50 0 biogenic IIAAMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000032904730 556544604 /nfs/dbraw/zinc/54/46/04/556544604.db2.gz JMQAHWICTSVWJD-CQSZACIVSA-N -1 1 428.460 4.357 50 0 IIAAMM O=C1[C@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000101070759 556653501 /nfs/dbraw/zinc/65/35/01/556653501.db2.gz HTLBLNJSRCKRAV-ZFWWWQNUSA-N -1 1 440.080 4.048 50 0 IIAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C)s1 ZINC000033007723 556656571 /nfs/dbraw/zinc/65/65/71/556656571.db2.gz FDMLOPMKHXOWJB-UHFFFAOYSA-N -1 1 439.946 4.416 50 0 IIAAMM CCOc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000011855558 556662016 /nfs/dbraw/zinc/66/20/16/556662016.db2.gz QPRCWFFGCKPKQS-UHFFFAOYSA-N -1 1 449.536 4.459 50 0 IIAAMM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000137588063 556697338 /nfs/dbraw/zinc/69/73/38/556697338.db2.gz QCAPIHXQUSPMAK-RBZQAINGSA-N -1 1 444.487 4.063 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000143592199 556739923 /nfs/dbraw/zinc/73/99/23/556739923.db2.gz ADWLDFXLYJEDMV-RBZQAINGSA-N -1 1 444.487 4.063 50 0 IIAAMM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000096786955 556842829 /nfs/dbraw/zinc/84/28/29/556842829.db2.gz BQFOUNRVJDTJHS-SMIHKQSGSA-N -1 1 444.487 4.069 50 0 IIAAMM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033122355 556863213 /nfs/dbraw/zinc/86/32/13/556863213.db2.gz ORLNRBMHMLJPRY-UHFFFAOYSA-N -1 1 439.566 4.337 50 0 IIAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2ccc(C(=O)NC3CC3)cn2)cc1 ZINC000033138638 556872779 /nfs/dbraw/zinc/87/27/79/556872779.db2.gz KZUCVBSDSONYCC-UHFFFAOYSA-N -1 1 439.562 4.234 50 0 IIAAMM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000033255732 556895005 /nfs/dbraw/zinc/89/50/05/556895005.db2.gz UYFNLEIRKYRVGU-OALUTQOASA-N -1 1 446.956 4.124 50 0 IIAAMM CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c2c(c1=O)CCCC2 ZINC000046027575 557023538 /nfs/dbraw/zinc/02/35/38/557023538.db2.gz UQQYGFMKFHKDLR-UHFFFAOYSA-N -1 1 437.565 4.227 50 0 IIAAMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000023144017 557025755 /nfs/dbraw/zinc/02/57/55/557025755.db2.gz MQBUKFAQJDVKPZ-UHFFFAOYSA-N -1 1 443.887 4.287 50 0 IIAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000046075517 557031985 /nfs/dbraw/zinc/03/19/85/557031985.db2.gz JSJZELXYINWHKY-QGZVFWFLSA-N -1 1 448.548 4.052 50 0 IIAAMM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4cccc5ccccc54)c3)nn12 ZINC000033269721 557047293 /nfs/dbraw/zinc/04/72/93/557047293.db2.gz LYAVFWMWQIDDDP-UHFFFAOYSA-N -1 1 429.505 4.362 50 0 IIAAMM COCc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])cc1 ZINC000022993301 557056394 /nfs/dbraw/zinc/05/63/94/557056394.db2.gz VWCIWXLFDQQAGJ-UHFFFAOYSA-N -1 1 446.912 4.245 50 0 IIAAMM CC[C@H](C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000032948354 557056412 /nfs/dbraw/zinc/05/64/12/557056412.db2.gz MQDBOBCTGGWOPG-VIFPVBQESA-N -1 1 441.003 4.165 50 0 IIAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1sc2ccccc2c1Cl ZINC000017360490 557069317 /nfs/dbraw/zinc/06/93/17/557069317.db2.gz AXNIREFWTABYMZ-UHFFFAOYSA-N -1 1 436.942 4.297 50 0 IIAAMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)cc1 ZINC000023397730 557090535 /nfs/dbraw/zinc/09/05/35/557090535.db2.gz ZMKGDWCFVKRLJR-UHFFFAOYSA-N -1 1 435.299 4.404 50 0 IIAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCCC4)C2)nc3=O)cc1 ZINC000049421256 557107837 /nfs/dbraw/zinc/10/78/37/557107837.db2.gz KFJSMXSDZUCXNX-KRWDZBQOSA-N -1 1 436.581 4.235 50 0 IIAAMM O=C(NCc1ccccc1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421137 557107855 /nfs/dbraw/zinc/10/78/55/557107855.db2.gz MXYCSBJLEOKOJN-IBGZPJMESA-N -1 1 444.560 4.184 50 0 IIAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017778576 557119065 /nfs/dbraw/zinc/11/90/65/557119065.db2.gz DGJULFFNUSNKAN-SMIHKQSGSA-N -1 1 444.487 4.150 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000024759897 557163876 /nfs/dbraw/zinc/16/38/76/557163876.db2.gz ZPXMQBLPHUVTBJ-NRFANRHFSA-N -1 1 440.496 4.189 50 0 IIAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc4nc(C)cc(=O)n34)cc2)cc1 ZINC000011696399 557233156 /nfs/dbraw/zinc/23/31/56/557233156.db2.gz VFPPGKORBKMFRM-UHFFFAOYSA-N -1 1 425.535 4.095 50 0 IIAAMM Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000013097622 557282892 /nfs/dbraw/zinc/28/28/92/557282892.db2.gz AVLWLWJWJQSRPB-ZHACJKMWSA-N -1 1 444.944 4.143 50 0 IIAAMM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102724282 557369636 /nfs/dbraw/zinc/36/96/36/557369636.db2.gz BQFOUNRVJDTJHS-RBZQAINGSA-N -1 1 444.487 4.069 50 0 IIAAMM CC(C)(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000103684120 557440313 /nfs/dbraw/zinc/44/03/13/557440313.db2.gz OZIJCCMDTWRUDG-LIXHSBQKSA-N -1 1 434.536 4.211 50 0 IIAAMM CCc1ccc(-n2nc3c4cc(C(=O)N5C[C@H](C)C[C@@H](C)C5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282438 557456542 /nfs/dbraw/zinc/45/65/42/557456542.db2.gz YTVSMOWFUUTGIS-IAGOWNOFSA-N -1 1 428.536 4.499 50 0 IIAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1CC ZINC000045900645 557547002 /nfs/dbraw/zinc/54/70/02/557547002.db2.gz CIUQUDVGEKONPR-UHFFFAOYSA-N -1 1 437.565 4.241 50 0 IIAAMM O=c1oc2ccccc2c(NCc2ccccc2)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000045962184 557557281 /nfs/dbraw/zinc/55/72/81/557557281.db2.gz FUUTVJZUDLXQAS-UHFFFAOYSA-N -1 1 442.443 4.484 50 0 IIAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc2c(c1)OCCO2 ZINC000008685593 562962527 /nfs/dbraw/zinc/96/25/27/562962527.db2.gz YADASHMNTAXMBB-UHFFFAOYSA-N -1 1 444.896 4.164 50 0 aggregator IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCC(=O)c3cccs3)c2)cc1 ZINC000008686671 562962812 /nfs/dbraw/zinc/96/28/12/562962812.db2.gz MHABCSJSJWXZHR-UHFFFAOYSA-N -1 1 444.534 4.159 50 0 IIAAMM COC(=O)c1ccc(CSc2nnc([N-]C(=O)c3nc4ccccc4s3)s2)o1 ZINC000043939677 568743688 /nfs/dbraw/zinc/74/36/88/568743688.db2.gz DITICFDCSLIHEW-UHFFFAOYSA-N -1 1 432.508 4.072 50 0 IIAAMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000083862583 568783793 /nfs/dbraw/zinc/78/37/93/568783793.db2.gz CAAPMLRZTWVYIY-UHFFFAOYSA-N -1 1 448.344 4.377 50 0 IIAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000015870007 568851485 /nfs/dbraw/zinc/85/14/85/568851485.db2.gz CEYSFKUAQCXCON-UHFFFAOYSA-N -1 1 440.344 4.208 50 0 IIAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)ccc2s1 ZINC000015870414 568851614 /nfs/dbraw/zinc/85/16/14/568851614.db2.gz LNGCOOSENWTKHX-UHFFFAOYSA-N -1 1 446.554 4.184 50 0 IIAAMM Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000013101291 568888049 /nfs/dbraw/zinc/88/80/49/568888049.db2.gz PJLYMPLHGHGBAG-VAWYXSNFSA-N -1 1 444.944 4.143 50 0 IIAAMM O=C([O-])CCCN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000034736505 568889313 /nfs/dbraw/zinc/88/93/13/568889313.db2.gz SAMQYNYDDCLWTA-LUTRRODMSA-N -1 1 425.868 4.183 50 0 IIAAMM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCCCCC2)cc1 ZINC000064844021 568971793 /nfs/dbraw/zinc/97/17/93/568971793.db2.gz REJHIJFPPAVKNI-UHFFFAOYSA-N -1 1 431.558 4.475 50 0 IIAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(C)n2C)n1 ZINC000065009055 569087857 /nfs/dbraw/zinc/08/78/57/569087857.db2.gz AELPOKVYDUHLIB-UHFFFAOYSA-N -1 1 431.461 4.465 50 0 IIAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2C1=O ZINC000065241613 569118828 /nfs/dbraw/zinc/11/88/28/569118828.db2.gz IZPXQFXFCRHTFF-UHFFFAOYSA-N -1 1 445.447 4.323 50 0 IIAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000036611191 569123443 /nfs/dbraw/zinc/12/34/43/569123443.db2.gz IEONPCGNFGTSOD-UHFFFAOYSA-N -1 1 444.156 4.420 50 0 IIAAMM CCOc1cccc(-c2noc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[n-]3)n2)c1 ZINC000065330984 569137106 /nfs/dbraw/zinc/13/71/06/569137106.db2.gz PZVPEXHJFXGEBT-UHFFFAOYSA-N -1 1 436.493 4.187 50 0 IIAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1ccc(F)cc1 ZINC000017200353 569175840 /nfs/dbraw/zinc/17/58/40/569175840.db2.gz UODBTXDBTQTRPU-UHFFFAOYSA-N -1 1 444.538 4.375 50 0 IIAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2C)C[C@H]1c1ccco1 ZINC000253425069 569267083 /nfs/dbraw/zinc/26/70/83/569267083.db2.gz APNYGEWWKHZOEB-FQEVSTJZSA-N -1 1 437.521 4.477 50 0 IIAAMM CCOC(=O)C1=C(NC(=O)COc2ccc(Cl)cc2)[N-]c2ccccc2N=C1CC ZINC000013060619 569308508 /nfs/dbraw/zinc/30/85/08/569308508.db2.gz IYDYPZFDHWZZSM-UHFFFAOYSA-N -1 1 427.888 4.218 50 0 IIAAMM COC(=O)C[C@@H](c1c(Cc2cc(F)c(F)cc2F)[n-][nH]c1=O)c1cccc2cccnc21 ZINC000096232314 569387748 /nfs/dbraw/zinc/38/77/48/569387748.db2.gz KDNNDZDSQBERAJ-OAHLLOKOSA-N -1 1 441.409 4.367 50 0 IIAAMM Cc1ccc(NC(=O)/C=C/c2cccnc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000030874020 569450123 /nfs/dbraw/zinc/45/01/23/569450123.db2.gz ZGYACXMMJDWEPK-CSKARUKUSA-N -1 1 427.913 4.496 50 0 IIAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(F)c2)CC(=O)O4)cc1O ZINC000217724664 569452309 /nfs/dbraw/zinc/45/23/09/569452309.db2.gz AQKLQKZAWSXBGH-OAHLLOKOSA-N -1 1 448.402 4.460 50 0 biogenic IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2nc3ccccc3s2)n1 ZINC000038740480 569468651 /nfs/dbraw/zinc/46/86/51/569468651.db2.gz WNPNPRHFLCXKIK-UHFFFAOYSA-N -1 1 434.506 4.267 50 0 IIAAMM CSc1nnc([N-]C(=O)c2nc(SCc3ccccc3F)ncc2Cl)s1 ZINC000008917034 569485938 /nfs/dbraw/zinc/48/59/38/569485938.db2.gz UCEULKQGRBXFRB-UHFFFAOYSA-N -1 1 427.939 4.387 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1F ZINC000008961296 569491000 /nfs/dbraw/zinc/49/10/00/569491000.db2.gz RLXLVDDYJFLKST-UHFFFAOYSA-N -1 1 428.441 4.302 50 0 IIAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000040310043 569498788 /nfs/dbraw/zinc/49/87/88/569498788.db2.gz AMYBAVSRXPTBSU-SFHVURJKSA-N -1 1 441.285 4.050 50 0 biogenic IIAAMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009468648 569538648 /nfs/dbraw/zinc/53/86/48/569538648.db2.gz HCJBVYAQQCFRNA-SFHVURJKSA-N -1 1 446.532 4.164 50 0 IIAAMM O=C(Nc1nc2ccc(F)cc2s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009714735 569562894 /nfs/dbraw/zinc/56/28/94/569562894.db2.gz CMMWMOPMKNFPFW-UHFFFAOYSA-N -1 1 427.482 4.489 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)c3c[nH]c4ccccc34)c2)c1 ZINC000009963882 569575857 /nfs/dbraw/zinc/57/58/57/569575857.db2.gz OFOWJOGKYRGZAT-UHFFFAOYSA-N -1 1 448.500 4.317 50 0 IIAAMM Cc1[n-]n(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c1-2 ZINC000010166791 569578280 /nfs/dbraw/zinc/57/82/80/569578280.db2.gz KBVXPVCSZSSWCK-UHFFFAOYSA-N -1 1 446.360 4.312 50 0 IIAAMM CCCCNC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002941173 132259349 /nfs/dbraw/zinc/25/93/49/132259349.db2.gz WICWEULOAJKGBD-UHFFFAOYSA-N -1 1 429.586 4.316 50 0 IIAAMM CC(C)c1c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000012734598 519830865 /nfs/dbraw/zinc/83/08/65/519830865.db2.gz BZZJLTDNPDWGRQ-UHFFFAOYSA-N -1 1 440.352 4.407 50 0 IIAAMM Cc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012508320 525249266 /nfs/dbraw/zinc/24/92/66/525249266.db2.gz JVFQYJSUOJDJOO-UHFFFAOYSA-N -1 1 446.326 4.206 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1F ZINC000041154792 525420015 /nfs/dbraw/zinc/42/00/15/525420015.db2.gz CHOIZZILPMFWBZ-UHFFFAOYSA-N -1 1 439.917 4.421 50 0 IIAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1 ZINC000012544906 526982624 /nfs/dbraw/zinc/98/26/24/526982624.db2.gz MDWIWVNGCPMPBA-UHFFFAOYSA-N -1 1 433.533 4.308 50 0 IIAAMM O=S(=O)([N-]c1ccccc1)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000020523400 527252953 /nfs/dbraw/zinc/25/29/53/527252953.db2.gz RRMITSQMRKAYQT-UHFFFAOYSA-N -1 1 427.507 4.025 50 0 IIAAMM CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C[C@H]1c1ccco1 ZINC000001018804 555603111 /nfs/dbraw/zinc/60/31/11/555603111.db2.gz JWSOUIOEENSDGI-NRFANRHFSA-N -1 1 437.521 4.477 50 0 IIAAMM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001146722 555653803 /nfs/dbraw/zinc/65/38/03/555653803.db2.gz BURKIUPCUYECHN-UHFFFAOYSA-N -1 1 434.514 4.044 50 0 IIAAMM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000001147439 555654321 /nfs/dbraw/zinc/65/43/21/555654321.db2.gz NFQFTSOMCJYFSW-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM COC(=O)[C@@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1ccccc1C)C(F)(F)F ZINC000002050314 555728728 /nfs/dbraw/zinc/72/87/28/555728728.db2.gz GEMACFZFURZEBX-IBGZPJMESA-N -1 1 437.443 4.187 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1OS(=O)(=O)c1ccccc1C ZINC000002069559 555734285 /nfs/dbraw/zinc/73/42/85/555734285.db2.gz YTCVCRVTMMLYGG-UHFFFAOYSA-N -1 1 431.535 4.180 50 0 IIAAMM COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000002875191 555851830 /nfs/dbraw/zinc/85/18/30/555851830.db2.gz KTPRYDMJCIBTPM-UHFFFAOYSA-N -1 1 438.505 4.143 50 0 IIAAMM COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000002875343 555851974 /nfs/dbraw/zinc/85/19/74/555851974.db2.gz UFLJDTCXZHISTH-UHFFFAOYSA-N -1 1 438.505 4.143 50 0 IIAAMM O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000006073413 556073565 /nfs/dbraw/zinc/07/35/65/556073565.db2.gz GWBNCDFIBFXWOQ-UHFFFAOYSA-N -1 1 430.869 4.091 50 0 IIAAMM O=S(=O)([N-]c1ccccc1)c1cccc2c1cccc2S(=O)(=O)Nc1ccccc1 ZINC000008716709 556202445 /nfs/dbraw/zinc/20/24/45/556202445.db2.gz DHPKPFUEFWTWOB-UHFFFAOYSA-N -1 1 438.530 4.441 50 0 IIAAMM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1cc(Cl)sc1Cl ZINC000014199512 556390317 /nfs/dbraw/zinc/39/03/17/556390317.db2.gz ZJPPEVICSYGGGE-UHFFFAOYSA-N -1 1 435.354 4.187 50 0 IIAAMM Cc1nnc([N-]C(=O)c2nc(SCc3ccccc3C)ncc2Br)s1 ZINC000028403796 556453732 /nfs/dbraw/zinc/45/37/32/556453732.db2.gz XEQRBDUPZWOKPM-UHFFFAOYSA-N -1 1 436.360 4.252 50 0 IIAAMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000072276820 556457050 /nfs/dbraw/zinc/45/70/50/556457050.db2.gz AXPZLUOCANPYLG-UHFFFAOYSA-N -1 1 434.521 4.254 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)c1 ZINC000033274596 556558704 /nfs/dbraw/zinc/55/87/04/556558704.db2.gz UCUNXKSBPRINBV-UHFFFAOYSA-N -1 1 448.588 4.495 50 0 IIAAMM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000016310510 556599326 /nfs/dbraw/zinc/59/93/26/556599326.db2.gz GTGYTSVOIUEDGI-UHFFFAOYSA-N -1 1 438.505 4.143 50 0 IIAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000032975653 556600121 /nfs/dbraw/zinc/60/01/21/556600121.db2.gz YSZSCEWZAULDHA-NHCUHLMSSA-N -1 1 440.565 4.088 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000011854352 556661776 /nfs/dbraw/zinc/66/17/76/556661776.db2.gz WCTGHBLFBJSLLW-UHFFFAOYSA-N -1 1 435.553 4.147 50 0 IIAAMM C[C@H]1CCc2c(sc3[n-]c(=S)n(NC(=O)CSCc4ccccc4)c(=O)c23)C1 ZINC000017097683 556662074 /nfs/dbraw/zinc/66/20/74/556662074.db2.gz SYIZKIAAYUDOPT-LBPRGKRZSA-N -1 1 431.608 4.249 50 0 IIAAMM CN(CCCNc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000058267981 556776614 /nfs/dbraw/zinc/77/66/14/556776614.db2.gz MMMCLZRZJNJRDZ-UHFFFAOYSA-N -1 1 441.528 4.201 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000002651080 556802239 /nfs/dbraw/zinc/80/22/39/556802239.db2.gz PRTOPMDBMNFADS-UHFFFAOYSA-N -1 1 444.940 4.470 50 0 IIAAMM CCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000033138524 556871657 /nfs/dbraw/zinc/87/16/57/556871657.db2.gz NROFIPKLIVDERA-UHFFFAOYSA-N -1 1 441.578 4.482 50 0 IIAAMM O=c1c([C@@H]2NCCc3ccccc32)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000020149643 556990954 /nfs/dbraw/zinc/99/09/54/556990954.db2.gz AZYWGZYFBRKNNA-JOCHJYFZSA-N -1 1 427.529 4.298 50 0 IIAAMM COc1ccc(CCNC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138235 557021316 /nfs/dbraw/zinc/02/13/16/557021316.db2.gz BRVJNWNPYXULIJ-UHFFFAOYSA-N -1 1 443.956 4.038 50 0 IIAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000023138476 557021575 /nfs/dbraw/zinc/02/15/75/557021575.db2.gz ZBOPHCRARGTXFQ-UHFFFAOYSA-N -1 1 449.454 4.450 50 0 IIAAMM Cc1nc(SCc2ccccc2F)[n-]c(=O)c1CC(=O)Nc1nc2ccccc2s1 ZINC000023138619 557021743 /nfs/dbraw/zinc/02/17/43/557021743.db2.gz NQFMIEJHCLOSEU-UHFFFAOYSA-N -1 1 440.525 4.301 50 0 IIAAMM CCC(CC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000017268948 557048106 /nfs/dbraw/zinc/04/81/06/557048106.db2.gz ROYRBRLSVTUZRU-UHFFFAOYSA-N -1 1 439.907 4.043 50 0 IIAAMM COc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)cc1OC ZINC000033276424 557056850 /nfs/dbraw/zinc/05/68/50/557056850.db2.gz MZHRMYSFDYVLGZ-UHFFFAOYSA-N -1 1 437.477 4.222 50 0 IIAAMM CCOc1ccccc1-c1noc(CSc2nc(-c3ccc(OC)cc3)cc(=O)[n-]2)n1 ZINC000048985678 557082021 /nfs/dbraw/zinc/08/20/21/557082021.db2.gz READWFQCRYIROA-UHFFFAOYSA-N -1 1 436.493 4.187 50 0 IIAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000024079028 557135448 /nfs/dbraw/zinc/13/54/48/557135448.db2.gz SIRLZCUHEUBLNE-CQSZACIVSA-N -1 1 444.532 4.422 50 0 IIAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000011535131 557160628 /nfs/dbraw/zinc/16/06/28/557160628.db2.gz KVQBDGNYONOCHL-UHFFFAOYSA-N -1 1 447.520 4.078 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccccc3)C(=O)c3ccc(C)cc3)nn2c1=O ZINC000101861296 557304156 /nfs/dbraw/zinc/30/41/56/557304156.db2.gz KNHRWLJZFCMNQL-UHFFFAOYSA-N -1 1 429.524 4.224 50 0 IIAAMM CCc1ccc(CN(C(=O)c2cccc(Cl)c2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101877921 557304391 /nfs/dbraw/zinc/30/43/91/557304391.db2.gz CZIJRIYINXAIMA-UHFFFAOYSA-N -1 1 435.915 4.097 50 0 IIAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102729390 557370858 /nfs/dbraw/zinc/37/08/58/557370858.db2.gz JQUZKCPXNCFLNV-WXFUMESZSA-N -1 1 444.487 4.063 50 0 IIAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102744757 557377491 /nfs/dbraw/zinc/37/74/91/557377491.db2.gz RJMNYYGBCXEPKN-WXFUMESZSA-N -1 1 444.487 4.150 50 0 IIAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000011695881 557393887 /nfs/dbraw/zinc/39/38/87/557393887.db2.gz BOLLGSXTCPMAID-UHFFFAOYSA-N -1 1 441.578 4.060 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1Cl ZINC000045895189 557546425 /nfs/dbraw/zinc/54/64/25/557546425.db2.gz NHLGAUDJIMBAOD-UHFFFAOYSA-N -1 1 432.929 4.453 50 0 IIAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000009660369 562974860 /nfs/dbraw/zinc/97/48/60/562974860.db2.gz YJKNOXLFISMHBN-UHFFFAOYSA-N -1 1 441.535 4.377 50 0 IIAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000085994171 568631285 /nfs/dbraw/zinc/63/12/85/568631285.db2.gz JQUZKCPXNCFLNV-SMIHKQSGSA-N -1 1 444.487 4.063 50 0 IIAAMM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)c1 ZINC000086057707 568642446 /nfs/dbraw/zinc/64/24/46/568642446.db2.gz KLYNJPIJHAXXLI-MRXNPFEDSA-N -1 1 425.485 4.074 50 0 IIAAMM CC(C)c1ccc(/C=C/C(=O)N=c2cc(-c3ccccc3)[n-]n2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000334158330 568750882 /nfs/dbraw/zinc/75/08/82/568750882.db2.gz HCCJQFXKPDRSNJ-QPNLFZSOSA-N -1 1 449.576 4.107 50 0 IIAAMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OC1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC000084098784 568792770 /nfs/dbraw/zinc/79/27/70/568792770.db2.gz FXKLUKSEKTYIAT-VOMCLLRMSA-N -1 1 427.341 4.006 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3ccccc3)c2)cc1F ZINC000015700256 568807610 /nfs/dbraw/zinc/80/76/10/568807610.db2.gz FJEMWTOENNKZNP-UHFFFAOYSA-N -1 1 426.513 4.298 50 0 IIAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)c(OC)c2c1OCCO2 ZINC000085412023 568817988 /nfs/dbraw/zinc/81/79/88/568817988.db2.gz UXYFLBUEBBCGIJ-HXUWFJFHSA-N -1 1 445.541 4.356 50 0 IIAAMM COc1ccc(Cn2c(C)c(CNCc3ccc(OC)cc3OC)c(C(=O)[O-])c2C)cc1 ZINC000015777198 568823838 /nfs/dbraw/zinc/82/38/38/568823838.db2.gz YLSJGCVDAULMDK-UHFFFAOYSA-N -1 1 438.524 4.167 50 0 IIAAMM COc1ccc(Cn2c(C)c(CNCc3cccc(OC)c3OC)c(C(=O)[O-])c2C)cc1 ZINC000015777200 568823861 /nfs/dbraw/zinc/82/38/61/568823861.db2.gz MDMSJDMCUIZDKX-UHFFFAOYSA-N -1 1 438.524 4.167 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870570 568851901 /nfs/dbraw/zinc/85/19/01/568851901.db2.gz CIGVLAPGJPLJKB-UHFFFAOYSA-N -1 1 433.533 4.362 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CC3)c2)c1 ZINC000065059892 569095618 /nfs/dbraw/zinc/09/56/18/569095618.db2.gz PIVFXOBXNKTKCR-UHFFFAOYSA-N -1 1 437.521 4.184 50 0 IIAAMM CC(C)CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063371 569097831 /nfs/dbraw/zinc/09/78/31/569097831.db2.gz SGNYBIKCZKQLIM-UHFFFAOYSA-N -1 1 439.537 4.451 50 0 IIAAMM COC(=O)c1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000524731696 569126615 /nfs/dbraw/zinc/12/66/15/569126615.db2.gz HSBCKYYUIBEAGK-QGZVFWFLSA-N -1 1 442.423 4.393 50 0 biogenic IIAAMM COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)cc1 ZINC000524731696 569126617 /nfs/dbraw/zinc/12/66/17/569126617.db2.gz HSBCKYYUIBEAGK-QGZVFWFLSA-N -1 1 442.423 4.393 50 0 biogenic IIAAMM O=S(=O)([N-][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000170621857 569147793 /nfs/dbraw/zinc/14/77/93/569147793.db2.gz RSTUYDQMMOOVDO-LJQANCHMSA-N -1 1 449.429 4.313 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000089669324 569161165 /nfs/dbraw/zinc/16/11/65/569161165.db2.gz ZEYNGFYURDFSLP-XMMPIXPASA-N -1 1 433.533 4.493 50 0 IIAAMM CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)C[C@H]1c1ccco1 ZINC000328597621 569318150 /nfs/dbraw/zinc/31/81/50/569318150.db2.gz IDAYERDFNCPPGL-FQEVSTJZSA-N -1 1 437.521 4.477 50 0 IIAAMM O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137178 569335863 /nfs/dbraw/zinc/33/58/63/569335863.db2.gz XQHMLUMTHYLWBI-QGZVFWFLSA-N -1 1 440.468 4.425 50 0 IIAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)ccc1O ZINC000096115123 569383145 /nfs/dbraw/zinc/38/31/45/569383145.db2.gz YEGUFAVHZFFLEF-OAHLLOKOSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1 ZINC000096232056 569387734 /nfs/dbraw/zinc/38/77/34/569387734.db2.gz NJKUNRYRAPUWCH-MRXNPFEDSA-N -1 1 436.386 4.005 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000097165215 569403386 /nfs/dbraw/zinc/40/33/86/569403386.db2.gz KWWBDFRYELXANJ-HSZRJFAPSA-N -1 1 437.496 4.324 50 0 IIAAMM Cn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000003330001 569446375 /nfs/dbraw/zinc/44/63/75/569446375.db2.gz SRRKNPLAVLJFSZ-UHFFFAOYSA-N -1 1 442.493 4.187 50 0 IIAAMM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cc1 ZINC000217801909 569453559 /nfs/dbraw/zinc/45/35/59/569453559.db2.gz PGRLXHDKGGWCME-INIZCTEOSA-N -1 1 444.395 4.010 50 0 biogenic IIAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc3c(c2)OCCO3)nc1 ZINC000067294289 569467842 /nfs/dbraw/zinc/46/78/42/569467842.db2.gz PUMWXYBUCLILJM-LCUIJRPUSA-N -1 1 429.432 4.098 50 0 IIAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067298704 569468070 /nfs/dbraw/zinc/46/80/70/569468070.db2.gz HFZXORDMDYQZCA-ZZZFEZGPSA-N -1 1 432.398 4.298 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1F ZINC000008840653 569478290 /nfs/dbraw/zinc/47/82/90/569478290.db2.gz RBXIYYFPJLVOBO-UHFFFAOYSA-N -1 1 440.496 4.115 50 0 IIAAMM CC(C)Cn1c(Cn2ccnc2)nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000009059521 569499346 /nfs/dbraw/zinc/49/93/46/569499346.db2.gz XUUGXWWCLKKAHM-UHFFFAOYSA-N -1 1 443.960 4.391 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)OCCCO2 ZINC000009218400 569512374 /nfs/dbraw/zinc/51/23/74/569512374.db2.gz ZCYRUFMKTUKXJV-UHFFFAOYSA-N -1 1 427.507 4.025 50 0 IIAAMM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000009268919 569517573 /nfs/dbraw/zinc/51/75/73/569517573.db2.gz QICZEFDYWPHYQS-UHFFFAOYSA-N -1 1 441.278 4.361 50 0 IIAAMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)c2c(=O)[n-]c(SCc3ccccc3)nc2N1 ZINC000009393862 569529159 /nfs/dbraw/zinc/52/91/59/569529159.db2.gz BFPPHRRUDKQODA-LJQANCHMSA-N -1 1 448.548 4.240 50 0 IIAAMM Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1C ZINC000009640859 569555474 /nfs/dbraw/zinc/55/54/74/569555474.db2.gz JNOHMBSJYGZODL-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM O=c1cc2nc(-c3cccc(F)c3)nc(SCc3cccc(Br)c3)n2[n-]1 ZINC000009641093 569555518 /nfs/dbraw/zinc/55/55/18/569555518.db2.gz IWHFVDPWBURFLB-UHFFFAOYSA-N -1 1 431.290 4.279 50 0 IIAAMM COc1cccc(OCCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009640891 569555590 /nfs/dbraw/zinc/55/55/90/569555590.db2.gz UQQWWKSZIWYQDU-UHFFFAOYSA-N -1 1 442.928 4.308 50 0 IIAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000009685587 569560710 /nfs/dbraw/zinc/56/07/10/569560710.db2.gz UDIYOXHMFBSIQH-UHFFFAOYSA-N -1 1 440.521 4.219 50 0 IIAAMM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000009707403 569561449 /nfs/dbraw/zinc/56/14/49/569561449.db2.gz DGYWSQOOYALKGQ-UHFFFAOYSA-N -1 1 445.544 4.374 50 0 IIAAMM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000009707409 569561549 /nfs/dbraw/zinc/56/15/49/569561549.db2.gz PITVOPFYWNXQBI-UHFFFAOYSA-N -1 1 425.897 4.148 50 0 IIAAMM O=C(Nc1ccc2c(c1)OCO2)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009714847 569562896 /nfs/dbraw/zinc/56/28/96/569562896.db2.gz RMBPQBSANWVQNB-UHFFFAOYSA-N -1 1 430.869 4.122 50 0 IIAAMM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009715095 569563056 /nfs/dbraw/zinc/56/30/56/569563056.db2.gz SREADVVABOFKLB-UHFFFAOYSA-N -1 1 425.897 4.148 50 0 IIAAMM COc1ccc(CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C2CC2)cc1 ZINC000009727540 569564019 /nfs/dbraw/zinc/56/40/19/569564019.db2.gz AVQADIMPYSSTAS-UHFFFAOYSA-N -1 1 436.533 4.301 50 0 IIAAMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000010022124 569577219 /nfs/dbraw/zinc/57/72/19/569577219.db2.gz OZPVWPPXERVGGK-UHFFFAOYSA-N -1 1 439.427 4.103 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1C ZINC000002890561 132258364 /nfs/dbraw/zinc/25/83/64/132258364.db2.gz TUOWMNFPSCKCJV-UHFFFAOYSA-N -1 1 449.576 4.067 50 0 IIAAMM COc1cc(C(=S)N2CCN(c3ccccc3Cl)CC2)cc(Br)c1[O-] ZINC000003418882 132265281 /nfs/dbraw/zinc/26/52/81/132265281.db2.gz FRBDESXWGNSAOG-UHFFFAOYSA-N -1 1 441.778 4.314 50 0 IIAAMM CC[C@@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000021534797 522434080 /nfs/dbraw/zinc/43/40/80/522434080.db2.gz ZZLAMEMSTHIJEF-OAHLLOKOSA-N -1 1 434.521 4.296 50 0 IIAAMM CCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1 ZINC000012464275 523740647 /nfs/dbraw/zinc/74/06/47/523740647.db2.gz RHZFUUCQCJDIBE-QGZVFWFLSA-N -1 1 442.541 4.003 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4oc(C)nc4c3)c2)cc1 ZINC000012742190 524694167 /nfs/dbraw/zinc/69/41/67/524694167.db2.gz NSZRMRCCFOEAOI-UHFFFAOYSA-N -1 1 437.477 4.198 50 0 IIAAMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccncc1 ZINC000012508326 524988566 /nfs/dbraw/zinc/98/85/66/524988566.db2.gz DCRQRLGPENNTJA-SFHVURJKSA-N -1 1 445.544 4.456 50 0 IIAAMM Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012544893 525294154 /nfs/dbraw/zinc/29/41/54/525294154.db2.gz RBKZALUTKPJUJD-BUHFOSPRSA-N -1 1 446.525 4.348 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)ccc1Br ZINC000012915757 525421587 /nfs/dbraw/zinc/42/15/87/525421587.db2.gz SBEZAKJOLBVQMH-UHFFFAOYSA-N -1 1 443.750 4.339 50 0 IIAAMM Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000012630801 525614315 /nfs/dbraw/zinc/61/43/15/525614315.db2.gz NSTGDZRSZFQORT-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1 ZINC000041097597 525888636 /nfs/dbraw/zinc/88/86/36/525888636.db2.gz MRQTYZNSNLMLKK-UHFFFAOYSA-N -1 1 439.518 4.333 50 0 IIAAMM COc1cccc(CNCc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])c1OC ZINC000015776816 526022708 /nfs/dbraw/zinc/02/27/08/526022708.db2.gz ASLAKPIVLAXQTG-UHFFFAOYSA-N -1 1 426.488 4.298 50 0 IIAAMM O=C(CCCc1ccccc1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012128892 526459123 /nfs/dbraw/zinc/45/91/23/526459123.db2.gz GRFWANZKZLKNQI-UHFFFAOYSA-N -1 1 439.519 4.461 50 0 IIAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)NCc1ccc(Cl)cc1 ZINC000014901668 527021854 /nfs/dbraw/zinc/02/18/54/527021854.db2.gz MBEMCCRXKXPGDO-UHFFFAOYSA-N -1 1 427.957 4.273 50 0 IIAAMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cc(F)ccc1F ZINC000012821462 527129734 /nfs/dbraw/zinc/12/97/34/527129734.db2.gz XKOYUQGXUXKCPD-UHFFFAOYSA-N -1 1 438.839 4.377 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1I ZINC000001051316 555613326 /nfs/dbraw/zinc/61/33/26/555613326.db2.gz LJDZTTLQQWQHNP-UHFFFAOYSA-N -1 1 439.274 4.254 50 0 IIAAMM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc21 ZINC000001890079 555722684 /nfs/dbraw/zinc/72/26/84/555722684.db2.gz UDLCASCEQQVHMX-UHFFFAOYSA-N -1 1 439.489 4.498 50 0 IIAAMM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915317 556231967 /nfs/dbraw/zinc/23/19/67/556231967.db2.gz ZNMZCTBQRLPDHG-CPUCHLNUSA-N -1 1 433.213 4.097 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3CCc2ccccc2)cc1OC ZINC000008973366 556237942 /nfs/dbraw/zinc/23/79/42/556237942.db2.gz LCJWEWLPCCXSNW-UHFFFAOYSA-N -1 1 437.521 4.097 50 0 IIAAMM CSc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000009526079 556297016 /nfs/dbraw/zinc/29/70/16/556297016.db2.gz ZWROTBDBLQRHSY-UHFFFAOYSA-N -1 1 434.564 4.010 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2C)cc1 ZINC000013676899 556554802 /nfs/dbraw/zinc/55/48/02/556554802.db2.gz YCNWESVVYXRDCA-UHFFFAOYSA-N -1 1 449.576 4.067 50 0 IIAAMM O=C1[C@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000101070757 556653482 /nfs/dbraw/zinc/65/34/82/556653482.db2.gz HTLBLNJSRCKRAV-DZGCQCFKSA-N -1 1 440.080 4.048 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc2sc(NC(C)=O)nc21 ZINC000033007947 556656754 /nfs/dbraw/zinc/65/67/54/556656754.db2.gz IWUYXQNSGSRWME-UHFFFAOYSA-N -1 1 433.555 4.263 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007978 556656774 /nfs/dbraw/zinc/65/67/74/556656774.db2.gz IUPWAPFTBMMOLR-UHFFFAOYSA-N -1 1 439.518 4.358 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)[C@H](C)Oc2ccccc2)n1 ZINC000012007815 556680595 /nfs/dbraw/zinc/68/05/95/556680595.db2.gz JOOLPFAWZKQMIA-HNNXBMFYSA-N -1 1 433.468 4.157 50 0 IIAAMM CC[C@@H](C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[n-]1)c1ccccc1 ZINC000012007875 556680636 /nfs/dbraw/zinc/68/06/36/556680636.db2.gz MATZSLPDWLEJKY-QGZVFWFLSA-N -1 1 431.496 4.471 50 0 IIAAMM COCc1cc(=O)[n-]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000018178600 556685865 /nfs/dbraw/zinc/68/58/65/556685865.db2.gz XWPNYPASOBEXPI-UHFFFAOYSA-N -1 1 425.897 4.229 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1Cl ZINC000013696258 556712224 /nfs/dbraw/zinc/71/22/24/556712224.db2.gz AJONGMSDCZHRDJ-UHFFFAOYSA-N -1 1 448.953 4.414 50 0 IIAAMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 ZINC000013696631 556712591 /nfs/dbraw/zinc/71/25/91/556712591.db2.gz RPXGVSKIKCDJJF-UHFFFAOYSA-N -1 1 440.521 4.318 50 0 IIAAMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(Oc2ccccc2)cc1 ZINC000058032257 556755181 /nfs/dbraw/zinc/75/51/81/556755181.db2.gz ZZXGEOBMLBNHAI-UHFFFAOYSA-N -1 1 428.510 4.425 50 0 IIAAMM CC(C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138305 556869779 /nfs/dbraw/zinc/86/97/79/556869779.db2.gz DRIRVEKWQMNKJT-UHFFFAOYSA-N -1 1 427.551 4.172 50 0 IIAAMM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000033171433 556882401 /nfs/dbraw/zinc/88/24/01/556882401.db2.gz BOKYKZWHKXUWOA-UHFFFAOYSA-N -1 1 440.500 4.270 50 0 IIAAMM CCOc1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138304 557021378 /nfs/dbraw/zinc/02/13/78/557021378.db2.gz XMEZNOGKIGHUHB-UHFFFAOYSA-N -1 1 429.929 4.296 50 0 IIAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)NCCc1ccc(Cl)cc1 ZINC000023138449 557021560 /nfs/dbraw/zinc/02/15/60/557021560.db2.gz KNOUINGEWORXKI-UHFFFAOYSA-N -1 1 431.920 4.168 50 0 IIAAMM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc21 ZINC000032943920 557022402 /nfs/dbraw/zinc/02/24/02/557022402.db2.gz YZJPBWIIAJUKBL-NSHDSACASA-N -1 1 441.372 4.097 50 0 IIAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2s1 ZINC000033299056 557075398 /nfs/dbraw/zinc/07/53/98/557075398.db2.gz RVYUZPVPUPGNQX-UHFFFAOYSA-N -1 1 438.596 4.206 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3O)c2)cc1 ZINC000017410453 557086627 /nfs/dbraw/zinc/08/66/27/557086627.db2.gz IAHFSBRBTDVWIM-UHFFFAOYSA-N -1 1 426.494 4.152 50 0 IIAAMM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017953219 557130516 /nfs/dbraw/zinc/13/05/16/557130516.db2.gz NGTLWSVKRQPSLZ-SMIHKQSGSA-N -1 1 428.488 4.445 50 0 IIAAMM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC000024837788 557172700 /nfs/dbraw/zinc/17/27/00/557172700.db2.gz ANFIVNIMTPLAIZ-UHFFFAOYSA-N -1 1 446.326 4.206 50 0 IIAAMM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025591691 557218099 /nfs/dbraw/zinc/21/80/99/557218099.db2.gz JHGCYXROIWRWIQ-CVEARBPZSA-N -1 1 426.460 4.338 50 0 IIAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101114878 557256559 /nfs/dbraw/zinc/25/65/59/557256559.db2.gz RJMNYYGBCXEPKN-VXNXHJTFSA-N -1 1 444.487 4.150 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C)cc3)C(=O)C3CCCCC3)nn2c1=O ZINC000101861453 557304095 /nfs/dbraw/zinc/30/40/95/557304095.db2.gz BJWNUPVBZRIOHI-UHFFFAOYSA-N -1 1 435.572 4.491 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)c3cccc(C)c3)nn2c1=O ZINC000101861410 557304103 /nfs/dbraw/zinc/30/41/03/557304103.db2.gz HRIDPOMKDFUNPY-UHFFFAOYSA-N -1 1 447.514 4.363 50 0 IIAAMM COc1ccccc1-c1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)no1 ZINC000033276510 557328899 /nfs/dbraw/zinc/32/88/99/557328899.db2.gz JNLQUOYWRARQKH-UHFFFAOYSA-N -1 1 425.441 4.352 50 0 IIAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000102862114 557402984 /nfs/dbraw/zinc/40/29/84/557402984.db2.gz DDTYIZYWMBBEOU-WXFUMESZSA-N -1 1 428.488 4.363 50 0 IIAAMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000225458401 557725084 /nfs/dbraw/zinc/72/50/84/557725084.db2.gz KHYQRJNUEVLENB-UHFFFAOYSA-N -1 1 442.497 4.330 50 0 IIAAMM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000015781425 563018129 /nfs/dbraw/zinc/01/81/29/563018129.db2.gz YTNXUIMPOGQMSF-UHFFFAOYSA-N -1 1 436.599 4.103 50 0 IIAAMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000032111897 568781276 /nfs/dbraw/zinc/78/12/76/568781276.db2.gz REXMRZACTPPULD-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000015730808 568814171 /nfs/dbraw/zinc/81/41/71/568814171.db2.gz WRMSQWUMDGDNHO-JTQLQIEISA-N -1 1 432.445 4.066 50 0 IIAAMM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1Cl ZINC000101070755 568900050 /nfs/dbraw/zinc/90/00/50/568900050.db2.gz HTLBLNJSRCKRAV-UKRRQHHQSA-N -1 1 440.080 4.048 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1C ZINC000064791962 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ZINC000001076411 557118632 /nfs/dbraw/zinc/11/86/32/557118632.db2.gz UTNVTEFWLBDWAP-UHFFFAOYSA-N -1 1 449.488 4.344 50 0 IIAAMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000645210 557124590 /nfs/dbraw/zinc/12/45/90/557124590.db2.gz FWOHRHMLFNIGMM-UHFFFAOYSA-N -1 1 447.965 4.462 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1OC ZINC000098072988 557233329 /nfs/dbraw/zinc/23/33/29/557233329.db2.gz IWHWYMOYESUIEC-UHFFFAOYSA-N -1 1 440.237 4.286 50 0 IIAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018062808 557234658 /nfs/dbraw/zinc/23/46/58/557234658.db2.gz ADWLDFXLYJEDMV-SMIHKQSGSA-N -1 1 444.487 4.063 50 0 IIAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018113476 557237849 /nfs/dbraw/zinc/23/78/49/557237849.db2.gz BSHNXEWKJQWCMI-SMIHKQSGSA-N -1 1 444.487 4.150 50 0 IIAAMM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])C(C(=O)c1ccccc1)=NN2c1ccccc1 ZINC000018127714 557242116 /nfs/dbraw/zinc/24/21/16/557242116.db2.gz SDQDUDLLPQLWKJ-IFMALSPDSA-N -1 1 443.890 4.266 50 0 IIAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 ZINC000024976263 557342970 /nfs/dbraw/zinc/34/29/70/557342970.db2.gz PLVURPXTEMIQJV-UHFFFAOYSA-N -1 1 438.505 4.128 50 0 IIAAMM CC[C@H](C)NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000011695901 557393526 /nfs/dbraw/zinc/39/35/26/557393526.db2.gz CLGRMSCWYLKAMY-INIZCTEOSA-N -1 1 443.594 4.225 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2cccs2)n1C1CC1)c1nc(C)cs1 ZINC000103035015 557415980 /nfs/dbraw/zinc/41/59/80/557415980.db2.gz LEEPUOUFTGJQMR-HNNXBMFYSA-N -1 1 448.595 4.115 50 0 IIAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000045900640 557547025 /nfs/dbraw/zinc/54/70/25/557547025.db2.gz OFMWGXFVYSAPEB-UHFFFAOYSA-N -1 1 437.565 4.296 50 0 IIAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2CC)cc1 ZINC000045900661 557547227 /nfs/dbraw/zinc/54/72/27/557547227.db2.gz GFHSAUKTOJZRBA-UHFFFAOYSA-N -1 1 437.565 4.241 50 0 IIAAMM COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000000911333 568636611 /nfs/dbraw/zinc/63/66/11/568636611.db2.gz IUUOKPKYGYQLLM-UHFFFAOYSA-N -1 1 436.445 4.048 50 0 IIAAMM O=C([O-])CCCN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000000976093 568648067 /nfs/dbraw/zinc/64/80/67/568648067.db2.gz SAMQYNYDDCLWTA-CDDKBXLESA-N -1 1 425.868 4.183 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000001147538 568662381 /nfs/dbraw/zinc/66/23/81/568662381.db2.gz CWRWXJWUCZCYHX-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM CCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1c(C)c2ccc([O-])cc2oc1=O ZINC000263586208 568759354 /nfs/dbraw/zinc/75/93/54/568759354.db2.gz RHBWKKLMNBJGCK-QFIPXVFZSA-N -1 1 446.503 4.423 50 0 biogenic IIAAMM Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000078597200 568762112 /nfs/dbraw/zinc/76/21/12/568762112.db2.gz AZMMAEHRCURPSU-UHFFFAOYSA-N -1 1 434.477 4.098 50 0 IIAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000084005108 568789736 /nfs/dbraw/zinc/78/97/36/568789736.db2.gz IGLMJNRXYBAGAB-QHCPKHFHSA-N -1 1 444.922 4.242 50 0 IIAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@H]3c1ccc(O)cc1 ZINC000524730207 568903826 /nfs/dbraw/zinc/90/38/26/568903826.db2.gz ZTDPKPSBFYBSBL-INIZCTEOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CN(Cc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21)C(=O)c1cccs1 ZINC000089363614 568921271 /nfs/dbraw/zinc/92/12/71/568921271.db2.gz JITPSBWBKUGPEW-UHFFFAOYSA-N -1 1 437.546 4.369 50 0 IIAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1nccs1 ZINC000016641527 568927597 /nfs/dbraw/zinc/92/75/97/568927597.db2.gz QPPRZCBETOELRY-UHFFFAOYSA-N -1 1 442.349 4.432 50 0 IIAAMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1SC(C)C)n(C)c(=O)n2C ZINC000064580878 568934558 /nfs/dbraw/zinc/93/45/58/568934558.db2.gz SJCZGWQSSPPRRV-UHFFFAOYSA-N -1 1 439.990 4.140 50 0 IIAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 ZINC000064610867 568939987 /nfs/dbraw/zinc/93/99/87/568939987.db2.gz FHTFCBDDVPVHMC-UHFFFAOYSA-N -1 1 434.477 4.163 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccc(F)cc3)nn2c(=O)c1C ZINC000064813915 568963803 /nfs/dbraw/zinc/96/38/03/568963803.db2.gz HPLLBBLJSMYHRH-UHFFFAOYSA-N -1 1 433.487 4.144 50 0 IIAAMM O=C([O-])c1cnc(N2CCCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000064843803 568971676 /nfs/dbraw/zinc/97/16/76/568971676.db2.gz NSXJEJOYIOMJRJ-UHFFFAOYSA-N -1 1 444.340 4.268 50 0 IIAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862093 568973873 /nfs/dbraw/zinc/97/38/73/568973873.db2.gz WOYMICIYDIGYFM-UHFFFAOYSA-N -1 1 427.570 4.455 50 0 IIAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3ccccc3)c(C)n2C)nc1C ZINC000065036588 569092644 /nfs/dbraw/zinc/09/26/44/569092644.db2.gz DRFFAMOXECQHPT-UHFFFAOYSA-N -1 1 446.598 4.048 50 0 IIAAMM O=C(NC1CC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059884 569095709 /nfs/dbraw/zinc/09/57/09/569095709.db2.gz MCUCIAPNUZIWHZ-UHFFFAOYSA-N -1 1 443.912 4.220 50 0 IIAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000065116338 569107275 /nfs/dbraw/zinc/10/72/75/569107275.db2.gz YJZQIVOIJSPBOA-UHFFFAOYSA-N -1 1 441.509 4.174 50 0 IIAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000014245156 569158345 /nfs/dbraw/zinc/15/83/45/569158345.db2.gz DTRMGGOOQDCBMQ-UHFFFAOYSA-N -1 1 433.331 4.408 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1F ZINC000016955230 569167596 /nfs/dbraw/zinc/16/75/96/569167596.db2.gz QRWKFXYHFKDRSB-UHFFFAOYSA-N -1 1 446.525 4.290 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000089991157 569170102 /nfs/dbraw/zinc/17/01/02/569170102.db2.gz YAQUQXCOXBTVRL-UHFFFAOYSA-N -1 1 426.494 4.147 50 0 IIAAMM CCCCCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000208133497 569189100 /nfs/dbraw/zinc/18/91/00/569189100.db2.gz AXSNGHAVDXRFPZ-HFZDXXHNSA-N -1 1 448.567 4.103 50 0 IIAAMM COC(=O)C[C@H](c1c(Cc2cc(F)c(F)cc2F)[n-][nH]c1=O)c1cccc2cccnc21 ZINC000096232313 569387764 /nfs/dbraw/zinc/38/77/64/569387764.db2.gz KDNNDZDSQBERAJ-HNNXBMFYSA-N -1 1 441.409 4.367 50 0 IIAAMM CCCCC(=O)N[C@]([N-]c1nc2c(cc(C)cc2C)s1)(C(=O)OCC)C(F)(F)F ZINC000009111580 569502331 /nfs/dbraw/zinc/50/23/31/569502331.db2.gz CBNAEDYPLDQSSM-SFHVURJKSA-N -1 1 431.480 4.453 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1Cl ZINC000009152541 569507777 /nfs/dbraw/zinc/50/77/77/569507777.db2.gz PJCMZSATLIGMBP-ZDUSSCGKSA-N -1 1 434.945 4.227 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1Cl ZINC000009152540 569507821 /nfs/dbraw/zinc/50/78/21/569507821.db2.gz PJCMZSATLIGMBP-CYBMUJFWSA-N -1 1 434.945 4.227 50 0 IIAAMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 ZINC000009166533 569508922 /nfs/dbraw/zinc/50/89/22/569508922.db2.gz RVTJOIAFKADIDW-UHFFFAOYSA-N -1 1 432.542 4.048 50 0 IIAAMM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)cc3c2N(CCC3)C1=O ZINC000009738220 569564828 /nfs/dbraw/zinc/56/48/28/569564828.db2.gz YJAOAQATUFQJAL-JTQLQIEISA-N -1 1 428.407 4.042 50 0 IIAAMM CC(C)CN(CC(C)C)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000035397524 519713591 /nfs/dbraw/zinc/71/35/91/519713591.db2.gz REUWHJRJHNNURS-UHFFFAOYSA-N -1 1 439.965 4.352 50 0 IIAAMM CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012769662 521323565 /nfs/dbraw/zinc/32/35/65/521323565.db2.gz FJVZEBKXAZUUBE-UHFFFAOYSA-N -1 1 442.512 4.297 50 0 IIAAMM COc1ccc(C(=O)CSc2nnc([N-]C(=O)c3nc4ccccc4s3)s2)cc1 ZINC000042379312 523591695 /nfs/dbraw/zinc/59/16/95/523591695.db2.gz LHRQXEUHMXMHSN-UHFFFAOYSA-N -1 1 442.547 4.384 50 0 IIAAMM CCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)n1 ZINC000012464279 523739923 /nfs/dbraw/zinc/73/99/23/523739923.db2.gz RHZFUUCQCJDIBE-KRWDZBQOSA-N -1 1 442.541 4.003 50 0 IIAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)cc21 ZINC000009406943 534804390 /nfs/dbraw/zinc/80/43/90/534804390.db2.gz SMEFLPJGBXGYDR-UHFFFAOYSA-N -1 1 441.372 4.017 50 0 IIAAMM COc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(C)=O ZINC000035684006 524750175 /nfs/dbraw/zinc/75/01/75/524750175.db2.gz HPFQCFDZACCCLC-QHCPKHFHSA-N -1 1 449.532 4.194 50 0 IIAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1)c1ccco1 ZINC000012799781 527362602 /nfs/dbraw/zinc/36/26/02/527362602.db2.gz BEFNWKNNNYZXIT-UHFFFAOYSA-N -1 1 426.372 4.231 50 0 IIAAMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(I)cc1 ZINC000000644822 555520151 /nfs/dbraw/zinc/52/01/51/555520151.db2.gz QIRIZBXKUVILGH-UHFFFAOYSA-N -1 1 427.185 4.111 50 0 IIAAMM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000000676651 555534897 /nfs/dbraw/zinc/53/48/97/555534897.db2.gz HPMJUGQHUDKEQL-UHFFFAOYSA-N -1 1 440.521 4.130 50 0 IIAAMM O=C(Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Br)c1ccccc1 ZINC000000822142 555564204 /nfs/dbraw/zinc/56/42/04/555564204.db2.gz SFSGIHGKVCKJQR-UHFFFAOYSA-N -1 1 432.295 4.469 50 0 IIAAMM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000001050943 555612981 /nfs/dbraw/zinc/61/29/81/555612981.db2.gz MXIIPCDNRCUFFE-UHFFFAOYSA-N -1 1 426.494 4.065 50 0 IIAAMM CCOC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001079446 555625543 /nfs/dbraw/zinc/62/55/43/555625543.db2.gz KPVLDIVBMGZINQ-UHFFFAOYSA-N -1 1 438.505 4.225 50 0 IIAAMM Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(Br)c3)C2=O)c1 ZINC000001157563 555659902 /nfs/dbraw/zinc/65/99/02/555659902.db2.gz ATDLMPBEEXQDRN-SXGWCWSVSA-N -1 1 447.310 4.138 50 0 IIAAMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c[nH]c2ccccc12 ZINC000010072373 555691236 /nfs/dbraw/zinc/69/12/36/555691236.db2.gz WCWINMSQRXRONW-UHFFFAOYSA-N -1 1 434.473 4.008 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)c1C ZINC000002879194 555853884 /nfs/dbraw/zinc/85/38/84/555853884.db2.gz ZAAISFUHJVRTQA-UHFFFAOYSA-N -1 1 438.505 4.394 50 0 IIAAMM Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3ccc(Sc4ccccn4)c(Cl)c3)cc21 ZINC000009409691 556287839 /nfs/dbraw/zinc/28/78/39/556287839.db2.gz URWNEXSBXBSOKE-UHFFFAOYSA-N -1 1 447.925 4.132 50 0 IIAAMM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000012946430 556417936 /nfs/dbraw/zinc/41/79/36/556417936.db2.gz RWECVCFVBJZYFD-CKEIUWERSA-N -1 1 433.213 4.097 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(F)ccc3o2)cc1 ZINC000072311584 556587234 /nfs/dbraw/zinc/58/72/34/556587234.db2.gz IHXFOVFKPRGVLF-UHFFFAOYSA-N -1 1 425.441 4.328 50 0 IIAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2OC)s1 ZINC000033007898 556656821 /nfs/dbraw/zinc/65/68/21/556656821.db2.gz DHEWUAUSJCYROK-UHFFFAOYSA-N -1 1 425.919 4.108 50 0 IIAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017271151 556674528 /nfs/dbraw/zinc/67/45/28/556674528.db2.gz OXYZRUAVDRGZKM-SFHVURJKSA-N -1 1 443.569 4.454 50 0 IIAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000136636874 556690951 /nfs/dbraw/zinc/69/09/51/556690951.db2.gz KUSNJMJTTHZZMZ-PWRODBHTSA-N -1 1 448.862 4.089 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(Cc4ccccc4C)n3)cc2)cc1 ZINC000033122872 556864025 /nfs/dbraw/zinc/86/40/25/556864025.db2.gz NFMAEQAHTHOSJU-UHFFFAOYSA-N -1 1 435.505 4.445 50 0 IIAAMM O=C(Nc1cccc2nsnc21)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033170515 556885819 /nfs/dbraw/zinc/88/58/19/556885819.db2.gz PMZBISMQHDTKNT-UHFFFAOYSA-N -1 1 444.925 4.398 50 0 IIAAMM CCCCN(CC)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC000033253563 556893969 /nfs/dbraw/zinc/89/39/69/556893969.db2.gz BYTCOMCMZYNFJN-UHFFFAOYSA-N -1 1 440.949 4.474 50 0 IIAAMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1C ZINC000046075604 557032494 /nfs/dbraw/zinc/03/24/94/557032494.db2.gz GAQUHGXJVZADQI-GOSISDBHSA-N -1 1 448.548 4.052 50 0 IIAAMM COc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)c1OC ZINC000033276404 557056519 /nfs/dbraw/zinc/05/65/19/557056519.db2.gz ZVKMFIGMHWQKQM-UHFFFAOYSA-N -1 1 437.477 4.222 50 0 IIAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1 ZINC000033299291 557077555 /nfs/dbraw/zinc/07/75/55/557077555.db2.gz IXQRDRCAWNKVBX-UHFFFAOYSA-N -1 1 445.444 4.490 50 0 IIAAMM COc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC000024841034 557167957 /nfs/dbraw/zinc/16/79/57/557167957.db2.gz JELIHPBTBROASV-UHFFFAOYSA-N -1 1 438.549 4.085 50 0 IIAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000024831763 557170650 /nfs/dbraw/zinc/17/06/50/557170650.db2.gz HDNYWFOKOUPIQU-UHFFFAOYSA-N -1 1 449.019 4.010 50 0 IIAAMM O=C(NCc1cccs1)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282235 557267120 /nfs/dbraw/zinc/26/71/20/557267120.db2.gz GQHPJLJIKAEBBJ-UHFFFAOYSA-N -1 1 434.908 4.464 50 0 IIAAMM CCc1ccc(-n2nc3c4cc(C(=O)N5C[C@H](C)C[C@H](C)C5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282425 557267387 /nfs/dbraw/zinc/26/73/87/557267387.db2.gz YTVSMOWFUUTGIS-CALCHBBNSA-N -1 1 428.536 4.499 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C)cc3)C(=O)c3ccccc3)nn2c1=O ZINC000101861433 557304124 /nfs/dbraw/zinc/30/41/24/557304124.db2.gz AZRYSDOXUBYWSY-UHFFFAOYSA-N -1 1 429.524 4.224 50 0 IIAAMM CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000023912728 557385129 /nfs/dbraw/zinc/38/51/29/557385129.db2.gz RMVBZBDOPKKAEU-UHFFFAOYSA-N -1 1 442.468 4.056 50 0 IIAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000011695877 557393873 /nfs/dbraw/zinc/39/38/73/557393873.db2.gz PBFBWKUVMUZLGD-UHFFFAOYSA-N -1 1 441.578 4.014 50 0 IIAAMM COc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1 ZINC000101281955 557456229 /nfs/dbraw/zinc/45/62/29/557456229.db2.gz IDNFCGPKCWFMHH-UHFFFAOYSA-N -1 1 438.487 4.066 50 0 IIAAMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(Cl)cc1Cl ZINC000004030508 557457528 /nfs/dbraw/zinc/45/75/28/557457528.db2.gz HQVIBQJKJZQRFB-UHFFFAOYSA-N -1 1 425.087 4.255 50 0 IIAAMM COc1ccc(-n2c([O-])c(C(c3ccc(F)cc3)c3ccc(F)cc3)c(=O)[nH]c2=O)cc1 ZINC000001406607 568787126 /nfs/dbraw/zinc/78/71/26/568787126.db2.gz CGESBXQWWAHGAK-OAQYLSRUSA-N -1 1 436.414 4.005 50 0 IIAAMM COc1cccc(Cn2c(C)c(CNCc3cccc(OC)c3OC)c(C(=O)[O-])c2C)c1 ZINC000015777092 568823761 /nfs/dbraw/zinc/82/37/61/568823761.db2.gz LYKWHONSKJWXGN-UHFFFAOYSA-N -1 1 438.524 4.167 50 0 IIAAMM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3)nn2)CC1 ZINC000015882204 568856833 /nfs/dbraw/zinc/85/68/33/568856833.db2.gz OBLXCVHJPNCNAI-UHFFFAOYSA-N -1 1 426.517 4.320 50 0 IIAAMM O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000016048011 568869353 /nfs/dbraw/zinc/86/93/53/568869353.db2.gz BBKCSFXMYXAHFQ-UHFFFAOYSA-N -1 1 442.493 4.220 50 0 IIAAMM COc1ccc2c(c1)CCCN2C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000027063573 568940755 /nfs/dbraw/zinc/94/07/55/568940755.db2.gz PFFYFVBFFDEHOQ-UHFFFAOYSA-N -1 1 440.496 4.228 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1OC ZINC000064747766 568950236 /nfs/dbraw/zinc/95/02/36/568950236.db2.gz FPCHMMCAFULCSK-UHFFFAOYSA-N -1 1 437.477 4.222 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccccc3Cl)C(=O)c3ccccc3Cl)nn2c(=O)c1C ZINC000064791814 568959110 /nfs/dbraw/zinc/95/91/10/568959110.db2.gz RQTUHDBUXSPLFZ-UHFFFAOYSA-N -1 1 442.306 4.188 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccccc3Cl)C(=O)c3cccc(Cl)c3)nn2c(=O)c1C ZINC000064791818 568959147 /nfs/dbraw/zinc/95/91/47/568959147.db2.gz UNRQEUGTZKXBOK-UHFFFAOYSA-N -1 1 442.306 4.188 50 0 IIAAMM COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000064813919 568963817 /nfs/dbraw/zinc/96/38/17/568963817.db2.gz LXODBFWVBUDLCG-UHFFFAOYSA-N -1 1 445.523 4.013 50 0 IIAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862268 568974151 /nfs/dbraw/zinc/97/41/51/568974151.db2.gz GCSUHWIOAPKOGB-UHFFFAOYSA-N -1 1 427.570 4.455 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1Cl ZINC000065021322 569088791 /nfs/dbraw/zinc/08/87/91/569088791.db2.gz XEPIJACTCXBTJS-UHFFFAOYSA-N -1 1 434.945 4.184 50 0 IIAAMM CC[C@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063369 569097905 /nfs/dbraw/zinc/09/79/05/569097905.db2.gz LEURXZJFEYCTIV-INIZCTEOSA-N -1 1 425.510 4.203 50 0 IIAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000065074485 569098874 /nfs/dbraw/zinc/09/88/74/569098874.db2.gz CHGMUFKOWPOQGI-INIZCTEOSA-N -1 1 425.510 4.203 50 0 IIAAMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c(C)c1 ZINC000065115303 569106800 /nfs/dbraw/zinc/10/68/00/569106800.db2.gz GPFYGEMSRMIFHV-UHFFFAOYSA-N -1 1 427.526 4.180 50 0 IIAAMM O=c1cc(-c2ccccn2)nc(SCc2nc(-c3cccc(Br)c3)no2)[n-]1 ZINC000065330937 569137084 /nfs/dbraw/zinc/13/70/84/569137084.db2.gz NCTJRIHSZAVZQI-UHFFFAOYSA-N -1 1 442.298 4.349 50 0 IIAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000065609986 569140181 /nfs/dbraw/zinc/14/01/81/569140181.db2.gz JAJHXJBGYCOXNV-JTQLQIEISA-N -1 1 435.286 4.006 50 0 IIAAMM Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3cccs3)C2)c(=O)o1 ZINC000198413204 569209351 /nfs/dbraw/zinc/20/93/51/569209351.db2.gz OTNFOGWNFFCZEI-KRWDZBQOSA-N -1 1 446.488 4.278 50 0 IIAAMM O=C(NCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCC1 ZINC000013351040 569313244 /nfs/dbraw/zinc/31/32/44/569313244.db2.gz HGFNHJPMTYHAFG-UHFFFAOYSA-N -1 1 434.561 4.268 50 0 IIAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1O ZINC000096116104 569383612 /nfs/dbraw/zinc/38/36/12/569383612.db2.gz WPTILOUEFDZEIH-HNNXBMFYSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM O=C([O-])c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)cc1 ZINC000217801976 569453552 /nfs/dbraw/zinc/45/35/52/569453552.db2.gz PGRLXHDKGGWCME-MRXNPFEDSA-N -1 1 444.395 4.010 50 0 biogenic IIAAMM CCN(CC)S(=O)(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000031667861 569456992 /nfs/dbraw/zinc/45/69/92/569456992.db2.gz JITMIIZOXUQWCE-UHFFFAOYSA-N -1 1 445.006 4.097 50 0 IIAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1 ZINC000032097460 569459961 /nfs/dbraw/zinc/45/99/61/569459961.db2.gz AYIJFCODRIKQNK-OAQYLSRUSA-N -1 1 448.350 4.427 50 0 IIAAMM COCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000008870310 569480578 /nfs/dbraw/zinc/48/05/78/569480578.db2.gz FEQUGIWFGBJUHF-UHFFFAOYSA-N -1 1 437.901 4.307 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1F ZINC000008961077 569490874 /nfs/dbraw/zinc/49/08/74/569490874.db2.gz XXFBAFYTWXCFSM-UHFFFAOYSA-N -1 1 442.468 4.408 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1OC ZINC000008961269 569490990 /nfs/dbraw/zinc/49/09/90/569490990.db2.gz BDZMDRQABBKVPD-UHFFFAOYSA-N -1 1 440.477 4.171 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000009126878 569505066 /nfs/dbraw/zinc/50/50/66/569505066.db2.gz MURHZHGJZWTVHH-UHFFFAOYSA-N -1 1 438.505 4.209 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2C)cc1 ZINC000009403983 569529516 /nfs/dbraw/zinc/52/95/16/569529516.db2.gz CAPHUYUOGXBUHR-UHFFFAOYSA-N -1 1 438.534 4.426 50 0 IIAAMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(-n2ccnc2)cc1 ZINC000009468650 569538653 /nfs/dbraw/zinc/53/86/53/569538653.db2.gz HCJBVYAQQCFRNA-GOSISDBHSA-N -1 1 446.532 4.164 50 0 IIAAMM Cc1ccsc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009468879 569538724 /nfs/dbraw/zinc/53/87/24/569538724.db2.gz MPEOCQSVNWUWLY-UHFFFAOYSA-N -1 1 444.534 4.271 50 0 IIAAMM CCOC(=O)C1=C(NC(=O)CSc2nc3ccccc3o2)[N-]c2ccccc2N=C1C ZINC000009508312 569542299 /nfs/dbraw/zinc/54/22/99/569542299.db2.gz YNADAUGGVCNVLE-UHFFFAOYSA-N -1 1 436.493 4.029 50 0 IIAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cc4nc5ccccc5s4)cc3)ccc2N1 ZINC000009516468 569543509 /nfs/dbraw/zinc/54/35/09/569543509.db2.gz ZLEMEJBTMQDSQG-UHFFFAOYSA-N -1 1 435.530 4.183 50 0 IIAAMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(-c4cn5ccc(C)nc5n4)cc3)cc2s1 ZINC000009572187 569547735 /nfs/dbraw/zinc/54/77/35/569547735.db2.gz VDSFYDAKWQQPOC-UHFFFAOYSA-N -1 1 435.534 4.424 50 0 IIAAMM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cc(C4CC4)on3)s2)cc1Cl ZINC000070635115 569548633 /nfs/dbraw/zinc/54/86/33/569548633.db2.gz LYTQYYFJNSMAPA-UHFFFAOYSA-N -1 1 449.945 4.348 50 0 IIAAMM O=C(NCCCn1ccc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009672326 569558772 /nfs/dbraw/zinc/55/87/72/569558772.db2.gz CHHKKMZWOREARJ-UHFFFAOYSA-N -1 1 433.533 4.262 50 0 IIAAMM CCOC(=O)C1=C(NC(=O)c2c(C)onc2-c2ccccc2)[N-]c2ccccc2N=C1C ZINC000009988633 569576853 /nfs/dbraw/zinc/57/68/53/569576853.db2.gz SNTGXDAFBUXOBC-UHFFFAOYSA-N -1 1 430.464 4.373 50 0 IIAAMM O=C(OCc1nc2ccccc2o1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000010095069 569577773 /nfs/dbraw/zinc/57/77/73/569577773.db2.gz ZWRVTOSCLGVADE-UHFFFAOYSA-N -1 1 426.425 4.125 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccc(C)cc4n3)ccc2C)cc1 ZINC000021173382 519731668 /nfs/dbraw/zinc/73/16/68/519731668.db2.gz PGNPQKCICOSSST-UHFFFAOYSA-N -1 1 434.521 4.377 50 0 IIAAMM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022853465 520581734 /nfs/dbraw/zinc/58/17/34/520581734.db2.gz VUHXBWPBUFJAKA-QGZVFWFLSA-N -1 1 448.976 4.077 50 0 IIAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000012622334 520812678 /nfs/dbraw/zinc/81/26/78/520812678.db2.gz OQSSBYUTFQSBRQ-KRWDZBQOSA-N -1 1 444.557 4.499 50 0 IIAAMM CCCCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)s1 ZINC000012741612 521326463 /nfs/dbraw/zinc/32/64/63/521326463.db2.gz MACZKXWYMKBUNF-UHFFFAOYSA-N -1 1 448.545 4.381 50 0 IIAAMM CCCCc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)s1 ZINC000012746992 521327186 /nfs/dbraw/zinc/32/71/86/521327186.db2.gz NWXHNTANFSBBTI-UHFFFAOYSA-N -1 1 448.545 4.381 50 0 IIAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1OC ZINC000012556927 524634929 /nfs/dbraw/zinc/63/49/29/524634929.db2.gz GYBKCAGPFZLZFH-UHFFFAOYSA-N -1 1 440.521 4.374 50 0 IIAAMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC000012507972 524865337 /nfs/dbraw/zinc/86/53/37/524865337.db2.gz LALPSWVGCIIKMO-CALCHBBNSA-N -1 1 430.570 4.034 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1F ZINC000012180539 525086299 /nfs/dbraw/zinc/08/62/99/525086299.db2.gz XFRSMBNTAWLGEE-UHFFFAOYSA-N -1 1 440.496 4.228 50 0 IIAAMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCCO1 ZINC000012521280 525343337 /nfs/dbraw/zinc/34/33/37/525343337.db2.gz LVNYDODRFFSJPE-XIKOKIGWSA-N -1 1 443.352 4.092 50 0 IIAAMM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(C)n1C ZINC000021154480 525572534 /nfs/dbraw/zinc/57/25/34/525572534.db2.gz GRTFZFRMHLMHKN-UHFFFAOYSA-N -1 1 441.956 4.251 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1 ZINC000008610239 534877006 /nfs/dbraw/zinc/87/70/06/534877006.db2.gz FBNCOUYTGQCJAR-UHFFFAOYSA-N -1 1 436.537 4.137 50 0 IIAAMM COc1cccc(CSc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)[n-]2)c1 ZINC000023138190 526068618 /nfs/dbraw/zinc/06/86/18/526068618.db2.gz LRHPZIRCHGOZNE-UHFFFAOYSA-N -1 1 429.929 4.214 50 0 IIAAMM Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000012552569 526221670 /nfs/dbraw/zinc/22/16/70/526221670.db2.gz KVPXJTATRYAUTH-UHFFFAOYSA-N -1 1 438.505 4.209 50 0 IIAAMM O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)[N-]CCc2ccccc2)o1 ZINC000035597449 527164254 /nfs/dbraw/zinc/16/42/54/527164254.db2.gz XOVDQDUZTGYGSF-UHFFFAOYSA-N -1 1 438.427 4.072 50 0 IIAAMM O=c1cc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c2ccc([O-])cc2o1 ZINC000021128721 527481287 /nfs/dbraw/zinc/48/12/87/527481287.db2.gz GDZRHHIRWHHMLG-UHFFFAOYSA-N -1 1 432.461 4.086 50 0 IIAAMM COc1cc2[n-]c(=S)n(NC(=S)Nc3ccc(C(C)C)cc3)c(=O)c2cc1OC ZINC000002212775 555758702 /nfs/dbraw/zinc/75/87/02/555758702.db2.gz NTYCERUSWYVUFO-UHFFFAOYSA-N -1 1 430.555 4.140 50 0 IIAAMM Cc1c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc(=O)c1CCC(=O)Nc1nnn[n-]1 ZINC000013655575 556546035 /nfs/dbraw/zinc/54/60/35/556546035.db2.gz QNTNIFAGCNHWSG-UHFFFAOYSA-N -1 1 449.854 4.252 50 0 IIAAMM Cc1c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc(=O)c1CCC(=O)Nc1nn[n-]n1 ZINC000013655575 556546039 /nfs/dbraw/zinc/54/60/39/556546039.db2.gz QNTNIFAGCNHWSG-UHFFFAOYSA-N -1 1 449.854 4.252 50 0 IIAAMM Cc1cc(=O)[n-]c(SCCOCCOc2ccc3ccccc3c2Br)n1 ZINC000016381898 556603852 /nfs/dbraw/zinc/60/38/52/556603852.db2.gz CHAVZBAJBMDMLC-UHFFFAOYSA-N -1 1 435.343 4.182 50 0 IIAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000137518855 556696919 /nfs/dbraw/zinc/69/69/19/556696919.db2.gz DGJULFFNUSNKAN-RBZQAINGSA-N -1 1 444.487 4.150 50 0 IIAAMM Cc1ccc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccccc3)cc(=O)n2c1 ZINC000033026223 556703285 /nfs/dbraw/zinc/70/32/85/556703285.db2.gz AHBCQIHQUSDAMI-UHFFFAOYSA-N -1 1 437.546 4.096 50 0 IIAAMM CC[C@H](C)NC(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1 ZINC000033114336 556861216 /nfs/dbraw/zinc/86/12/16/556861216.db2.gz IUOATSGKVBLOJN-LBPRGKRZSA-N -1 1 446.479 4.176 50 0 IIAAMM CCOc1ccc(CN(CC)Cc2cc(=O)n3[n-]c(-c4ccc(OC)cc4)cc3n2)cc1 ZINC000033126299 556866994 /nfs/dbraw/zinc/86/69/94/556866994.db2.gz BEXCNNYLAFCLLH-UHFFFAOYSA-N -1 1 432.524 4.119 50 0 IIAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c(C)c1 ZINC000046075504 557032140 /nfs/dbraw/zinc/03/21/40/557032140.db2.gz BPUNVLXLJVPMCS-KRWDZBQOSA-N -1 1 448.548 4.052 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1CO ZINC000048324282 557065057 /nfs/dbraw/zinc/06/50/57/557065057.db2.gz WKWCHJMHHQFMPN-UHFFFAOYSA-N -1 1 443.365 4.416 50 0 IIAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2s1 ZINC000033298880 557075022 /nfs/dbraw/zinc/07/50/22/557075022.db2.gz UDDMBGLGTULREQ-UHFFFAOYSA-N -1 1 438.596 4.124 50 0 IIAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccco4)CC2)nc3=O)c1 ZINC000049421385 557108074 /nfs/dbraw/zinc/10/80/74/557108074.db2.gz FRYPJRJXDFVLPJ-UHFFFAOYSA-N -1 1 448.548 4.086 50 0 IIAAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000000678651 557134642 /nfs/dbraw/zinc/13/46/42/557134642.db2.gz GBRSDNGLOCZSPS-UHFFFAOYSA-N -1 1 445.216 4.483 50 0 IIAAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000000678651 557134644 /nfs/dbraw/zinc/13/46/44/557134644.db2.gz GBRSDNGLOCZSPS-UHFFFAOYSA-N -1 1 445.216 4.483 50 0 IIAAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000000678651 557134647 /nfs/dbraw/zinc/13/46/47/557134647.db2.gz GBRSDNGLOCZSPS-UHFFFAOYSA-N -1 1 445.216 4.483 50 0 IIAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024154123 557138915 /nfs/dbraw/zinc/13/89/15/557138915.db2.gz FERRQXSPFYSOII-UHFFFAOYSA-N -1 1 429.236 4.136 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000024759892 557163945 /nfs/dbraw/zinc/16/39/45/557163945.db2.gz ZPXMQBLPHUVTBJ-OAQYLSRUSA-N -1 1 440.496 4.189 50 0 IIAAMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 ZINC000024371187 557189435 /nfs/dbraw/zinc/18/94/35/557189435.db2.gz PTLDQJYOPZDQGC-UHFFFAOYSA-N -1 1 438.336 4.464 50 0 IIAAMM Cc1ccc(CN(C)C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1 ZINC000025597902 557218414 /nfs/dbraw/zinc/21/84/14/557218414.db2.gz ZIGJTOOTQGPTIL-UHFFFAOYSA-N -1 1 440.540 4.444 50 0 IIAAMM COc1ccc2c(c1)CCCN2C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000027064048 557256248 /nfs/dbraw/zinc/25/62/48/557256248.db2.gz JVCIJXLPXYBKGV-UHFFFAOYSA-N -1 1 436.533 4.397 50 0 IIAAMM CCc1ccc(-n2nc3c4cc(C(=O)NCCc5ccccc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282335 557267396 /nfs/dbraw/zinc/26/73/96/557267396.db2.gz VFMITLMRNOVQAS-UHFFFAOYSA-N -1 1 436.515 4.354 50 0 IIAAMM C[C@H](NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1)c1ccc(F)cc1 ZINC000101828358 557299722 /nfs/dbraw/zinc/29/97/22/557299722.db2.gz VTIUAOVDFLWHTN-HNNXBMFYSA-N -1 1 426.451 4.449 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccs3)C(=O)c3ccc(C)cc3)nn2c1=O ZINC000101861477 557304164 /nfs/dbraw/zinc/30/41/64/557304164.db2.gz BAAAJOBWPYSKOT-UHFFFAOYSA-N -1 1 435.553 4.286 50 0 IIAAMM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2s1 ZINC000033007546 557320631 /nfs/dbraw/zinc/32/06/31/557320631.db2.gz NPTRYEWFFJDGMR-UHFFFAOYSA-N -1 1 425.919 4.108 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(C)cs1 ZINC000103034767 557416070 /nfs/dbraw/zinc/41/60/70/557416070.db2.gz AQCVVAQIAAWNHL-CQSZACIVSA-N -1 1 437.930 4.163 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)CC(C)C)nn2c(=O)c1Cc1ccccc1 ZINC000101861109 557457477 /nfs/dbraw/zinc/45/74/77/557457477.db2.gz MSWMYYLSZHRULT-UHFFFAOYSA-N -1 1 447.514 4.035 50 0 IIAAMM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000045941013 557549544 /nfs/dbraw/zinc/54/95/44/557549544.db2.gz VXXJZCZAQSGBMU-UHFFFAOYSA-N -1 1 449.573 4.242 50 0 IIAAMM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)c1 ZINC000086057702 568642492 /nfs/dbraw/zinc/64/24/92/568642492.db2.gz KLYNJPIJHAXXLI-INIZCTEOSA-N -1 1 425.485 4.074 50 0 IIAAMM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000086057652 568642805 /nfs/dbraw/zinc/64/28/05/568642805.db2.gz NGRONUFHXDQVAV-MRXNPFEDSA-N -1 1 439.512 4.464 50 0 IIAAMM Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000015669359 568801931 /nfs/dbraw/zinc/80/19/31/568801931.db2.gz ILMGLXJHNMKRHU-UHFFFAOYSA-N -1 1 429.929 4.078 50 0 IIAAMM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2S1 ZINC000015730518 568814211 /nfs/dbraw/zinc/81/42/11/568814211.db2.gz VJDOBLWQZQZWGQ-JTQLQIEISA-N -1 1 432.445 4.209 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2nnnn2C2CC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012812376 568819043 /nfs/dbraw/zinc/81/90/43/568819043.db2.gz GXOCNNMHTJASAT-UHFFFAOYSA-N -1 1 443.838 4.148 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000015870678 568852227 /nfs/dbraw/zinc/85/22/27/568852227.db2.gz BRPVIKFYYIGZJQ-UHFFFAOYSA-N -1 1 433.533 4.362 50 0 IIAAMM CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1 ZINC000064843832 568971757 /nfs/dbraw/zinc/97/17/57/568971757.db2.gz QNUYMXXICMUNJA-INIZCTEOSA-N -1 1 431.558 4.015 50 0 IIAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059722 569096218 /nfs/dbraw/zinc/09/62/18/569096218.db2.gz DDDJWUCVAGGFAN-HNNXBMFYSA-N -1 1 443.500 4.342 50 0 IIAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000065059723 569096224 /nfs/dbraw/zinc/09/62/24/569096224.db2.gz LCMQROCUYVZYGV-MRXNPFEDSA-N -1 1 425.510 4.203 50 0 IIAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2C1=O ZINC000065241619 569118921 /nfs/dbraw/zinc/11/89/21/569118921.db2.gz JIRYUYPHWGEIAF-UHFFFAOYSA-N -1 1 427.457 4.184 50 0 IIAAMM O=S(=O)([N-][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000170621856 569147717 /nfs/dbraw/zinc/14/77/17/569147717.db2.gz RSTUYDQMMOOVDO-IBGZPJMESA-N -1 1 449.429 4.313 50 0 IIAAMM Cc1ccc(SCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000010060255 569152415 /nfs/dbraw/zinc/15/24/15/569152415.db2.gz AMYKEOUVQYBKDC-UHFFFAOYSA-N -1 1 426.563 4.318 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1F ZINC000013696357 569156667 /nfs/dbraw/zinc/15/66/67/569156667.db2.gz GNKYLMRAJBUBFY-UHFFFAOYSA-N -1 1 432.517 4.105 50 0 IIAAMM COc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c([O-])c1 ZINC000002433927 569303415 /nfs/dbraw/zinc/30/34/15/569303415.db2.gz SIOWSDNEJDAWPP-UHFFFAOYSA-N -1 1 427.251 4.151 50 0 IIAAMM Cc1ccc(OC2CCN(C(=O)c3c([O-])cnc4c(Br)cccc43)CC2)nc1 ZINC000328593742 569317465 /nfs/dbraw/zinc/31/74/65/569317465.db2.gz DHKKCFAAQQMYMO-UHFFFAOYSA-N -1 1 442.313 4.090 50 0 IIAAMM CN(C)c1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(SC(F)(F)F)cc3)cc2)o1 ZINC000095431425 569366233 /nfs/dbraw/zinc/36/62/33/569366233.db2.gz WVAGTGXPKQTDJX-UHFFFAOYSA-N -1 1 444.460 4.215 50 0 IIAAMM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000095483641 569374632 /nfs/dbraw/zinc/37/46/32/569374632.db2.gz NCHDXFHHGQEGQN-SMIHKQSGSA-N -1 1 444.487 4.063 50 0 IIAAMM CC(C)n1nccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096116406 569383821 /nfs/dbraw/zinc/38/38/21/569383821.db2.gz RYDPNESHDRKPPM-OAHLLOKOSA-N -1 1 432.432 4.090 50 0 biogenic IIAAMM CC(C)n1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096116406 569383822 /nfs/dbraw/zinc/38/38/22/569383822.db2.gz RYDPNESHDRKPPM-OAHLLOKOSA-N -1 1 432.432 4.090 50 0 biogenic IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2)cc1C ZINC000031940839 569458419 /nfs/dbraw/zinc/45/84/19/569458419.db2.gz OUJWCVVFWZPWRB-HSZRJFAPSA-N -1 1 435.549 4.477 50 0 IIAAMM COC(=O)[C@@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1ccc(C)cc1)C(F)(F)F ZINC000009090036 569500979 /nfs/dbraw/zinc/50/09/79/569500979.db2.gz DTVMUTPAYGFGTR-IBGZPJMESA-N -1 1 437.443 4.187 50 0 IIAAMM O=S(=O)([N-]c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000009128389 569505392 /nfs/dbraw/zinc/50/53/92/569505392.db2.gz GKNZYHSUDKEVGZ-UHFFFAOYSA-N -1 1 446.934 4.142 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc4cccnc4s3)ccc2C)cc1OC ZINC000009403992 569529539 /nfs/dbraw/zinc/52/95/39/569529539.db2.gz GNDVSXOQUDAIHZ-UHFFFAOYSA-N -1 1 441.534 4.485 50 0 IIAAMM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009584863 569549430 /nfs/dbraw/zinc/54/94/30/569549430.db2.gz BXMUVYBPPFSABJ-UHFFFAOYSA-N -1 1 432.448 4.335 50 0 IIAAMM Cc1cccc(NC(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009641314 569555668 /nfs/dbraw/zinc/55/56/68/569555668.db2.gz ONWPDNHBABIXBJ-UHFFFAOYSA-N -1 1 447.564 4.421 50 0 IIAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)cc1 ZINC000009685918 569560722 /nfs/dbraw/zinc/56/07/22/569560722.db2.gz MUDXFOZXERPMTQ-UHFFFAOYSA-N -1 1 440.521 4.227 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)cc1 ZINC000009714979 569562965 /nfs/dbraw/zinc/56/29/65/569562965.db2.gz FMVYKXZPFRGNJG-UHFFFAOYSA-N -1 1 439.518 4.358 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)cc1 ZINC000009715819 569563165 /nfs/dbraw/zinc/56/31/65/569563165.db2.gz JEYFCKYGRRMNPV-UHFFFAOYSA-N -1 1 446.912 4.410 50 0 IIAAMM O=C(Nc1cccc2ncccc21)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009781923 569567660 /nfs/dbraw/zinc/56/76/60/569567660.db2.gz FVHGEJLBTFBKRR-UHFFFAOYSA-N -1 1 447.472 4.017 50 0 IIAAMM COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012789849 524433473 /nfs/dbraw/zinc/43/34/73/524433473.db2.gz PUJLLNVMQXGMLZ-UHFFFAOYSA-N -1 1 442.512 4.216 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3noc4ccccc34)ccc2C)c1 ZINC000012544814 524689645 /nfs/dbraw/zinc/68/96/45/524689645.db2.gz FQWUCQSLZUZJFI-UHFFFAOYSA-N -1 1 435.505 4.427 50 0 IIAAMM COc1ccccc1[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012631395 524774464 /nfs/dbraw/zinc/77/44/64/524774464.db2.gz WZMKFUPFTDXRCN-INIZCTEOSA-N -1 1 442.512 4.055 50 0 IIAAMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c(Cl)c1 ZINC000012605835 525245533 /nfs/dbraw/zinc/24/55/33/525245533.db2.gz YATGBJLWIXJEKR-UHFFFAOYSA-N -1 1 444.896 4.430 50 0 IIAAMM C[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1 ZINC000021702528 525350499 /nfs/dbraw/zinc/35/04/99/525350499.db2.gz KWTBCIKGKLEPEE-MRXNPFEDSA-N -1 1 448.504 4.028 50 0 IIAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nc5ccccc5s4)cc3)cc2oc1=O ZINC000035259771 527105171 /nfs/dbraw/zinc/10/51/71/527105171.db2.gz JVEDSTBFRDSYSF-UHFFFAOYSA-N -1 1 437.502 4.209 50 0 IIAAMM CC[C@H](C)NC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004668607 536168512 /nfs/dbraw/zinc/16/85/12/536168512.db2.gz ZUSVFEIJKOBQEL-SFHVURJKSA-N -1 1 429.586 4.314 50 0 IIAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000000671099 555531071 /nfs/dbraw/zinc/53/10/71/555531071.db2.gz IUTAWZHZAUHALD-UHFFFAOYSA-N -1 1 440.905 4.081 50 0 IIAAMM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000991903 555596516 /nfs/dbraw/zinc/59/65/16/555596516.db2.gz YIDQWXWSPRLIJG-UHFFFAOYSA-N -1 1 429.881 4.181 50 0 IIAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(C)c1 ZINC000001059226 555615831 /nfs/dbraw/zinc/61/58/31/555615831.db2.gz RNGQRJOWXMQVID-UHFFFAOYSA-N -1 1 436.599 4.024 50 0 IIAAMM COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)c1 ZINC000001181798 555672263 /nfs/dbraw/zinc/67/22/63/555672263.db2.gz PMAPKMLVPFOJSU-UHFFFAOYSA-N -1 1 449.488 4.344 50 0 IIAAMM COC(=O)[C@@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000002050514 555728629 /nfs/dbraw/zinc/72/86/29/555728629.db2.gz CPMBHCGRLNJKGF-SFHVURJKSA-N -1 1 441.406 4.017 50 0 IIAAMM COC(=O)[C@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000002050515 555728700 /nfs/dbraw/zinc/72/87/00/555728700.db2.gz CPMBHCGRLNJKGF-GOSISDBHSA-N -1 1 441.406 4.017 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000002069549 555734307 /nfs/dbraw/zinc/73/43/07/555734307.db2.gz CLWXCWWXGAQZOZ-UHFFFAOYSA-N -1 1 431.535 4.180 50 0 IIAAMM CC1(C)C[C@H](n2c3nnc([S-])n3c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 ZINC000006232509 556081374 /nfs/dbraw/zinc/08/13/74/556081374.db2.gz ULDQKVOIHSFEHQ-MRXNPFEDSA-N -1 1 436.581 4.345 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2)c1 ZINC000032843047 556428131 /nfs/dbraw/zinc/42/81/31/556428131.db2.gz SCNMJHNEZYNYQE-QFIPXVFZSA-N -1 1 435.549 4.477 50 0 IIAAMM COc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3)nc3ccccc3c2=O)cc1OC ZINC000016071361 556581663 /nfs/dbraw/zinc/58/16/63/556581663.db2.gz CNYADVWIGKSMFH-UHFFFAOYSA-N -1 1 448.500 4.084 50 0 IIAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000016400320 556605199 /nfs/dbraw/zinc/60/51/99/556605199.db2.gz DZPDGLZIDQZGMK-UHFFFAOYSA-N -1 1 430.869 4.122 50 0 IIAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000011760793 556653896 /nfs/dbraw/zinc/65/38/96/556653896.db2.gz VXDNARCEQUXWNR-UHFFFAOYSA-N -1 1 440.525 4.196 50 0 IIAAMM Cc1cccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000011855981 556662400 /nfs/dbraw/zinc/66/24/00/556662400.db2.gz NLPFZCXYIKJPNA-UHFFFAOYSA-N -1 1 445.548 4.053 50 0 IIAAMM CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000143588680 556739971 /nfs/dbraw/zinc/73/99/71/556739971.db2.gz DEFJWDXEEOVJRK-RBZQAINGSA-N -1 1 441.487 4.005 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000096602369 556838027 /nfs/dbraw/zinc/83/80/27/556838027.db2.gz FNWUCYWXAAIUPA-UHFFFAOYSA-N -1 1 440.908 4.245 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(Cc4cccc(F)c4)n3)cc2)cc1 ZINC000033122870 556863580 /nfs/dbraw/zinc/86/35/80/556863580.db2.gz AQRLHILREWYJHI-UHFFFAOYSA-N -1 1 439.468 4.276 50 0 IIAAMM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000032943880 557021676 /nfs/dbraw/zinc/02/16/76/557021676.db2.gz JDGGAWPRXRNHNN-NSHDSACASA-N -1 1 430.473 4.353 50 0 IIAAMM CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(F)c3)c2)c2c(c1=O)CCCC2 ZINC000046027592 557023561 /nfs/dbraw/zinc/02/35/61/557023561.db2.gz QSQOTEJPQRDSFQ-UHFFFAOYSA-N -1 1 441.528 4.057 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1)c1ccc(F)cc1 ZINC000033276513 557056692 /nfs/dbraw/zinc/05/66/92/557056692.db2.gz OWWOWIAWCIQMBH-UHFFFAOYSA-N -1 1 427.432 4.406 50 0 IIAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)c(C)c1C ZINC000048309912 557060170 /nfs/dbraw/zinc/06/01/70/557060170.db2.gz UFRISBSQEXJFOZ-UHFFFAOYSA-N -1 1 431.476 4.419 50 0 IIAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CCc2sccc2C1 ZINC000010885167 557073950 /nfs/dbraw/zinc/07/39/50/557073950.db2.gz GIIOGZZZBHHCCP-UHFFFAOYSA-N -1 1 432.954 4.401 50 0 IIAAMM COc1ccc(C2=C3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 ZINC000100836895 557191136 /nfs/dbraw/zinc/19/11/36/557191136.db2.gz IPKXEGBMKUGFHF-IRLDBZIGSA-N -1 1 431.879 4.131 50 0 IIAAMM O=C(COC(=O)c1sc2ccccc2c1Cl)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000011331703 557228514 /nfs/dbraw/zinc/22/85/14/557228514.db2.gz NECJDWGXJVDHMP-UHFFFAOYSA-N -1 1 439.823 4.270 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000018081704 557235613 /nfs/dbraw/zinc/23/56/13/557235613.db2.gz GMHQPNFBVUASJD-UHFFFAOYSA-N -1 1 430.551 4.220 50 0 IIAAMM Cn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C2)c1=O ZINC000101495179 557289207 /nfs/dbraw/zinc/28/92/07/557289207.db2.gz OOXCGAJQFNYEIT-FQEVSTJZSA-N -1 1 429.501 4.290 50 0 IIAAMM O=C(NCc1ccccc1Cl)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828469 557300221 /nfs/dbraw/zinc/30/02/21/557300221.db2.gz JKIYBHDGKZXRMJ-UHFFFAOYSA-N -1 1 428.879 4.402 50 0 IIAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000102288642 557317480 /nfs/dbraw/zinc/31/74/80/557317480.db2.gz FVGQPNPUCKBQKG-BGYRXZFFSA-N -1 1 440.565 4.033 50 0 IIAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccncc1 ZINC000011695897 557393472 /nfs/dbraw/zinc/39/34/72/557393472.db2.gz DMBJUCHETVHNFI-UHFFFAOYSA-N -1 1 435.530 4.280 50 0 IIAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000086057646 568642745 /nfs/dbraw/zinc/64/27/45/568642745.db2.gz NGRONUFHXDQVAV-INIZCTEOSA-N -1 1 439.512 4.464 50 0 IIAAMM O=C(Nc1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3[O-])nc2c1)C(F)(F)F ZINC000001102691 568660275 /nfs/dbraw/zinc/66/02/75/568660275.db2.gz WBRSVZAIJCYJDQ-UHFFFAOYSA-N -1 1 433.264 4.202 50 0 IIAAMM Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000015669352 568802005 /nfs/dbraw/zinc/80/20/05/568802005.db2.gz SPEDWZJDJQVVPJ-UHFFFAOYSA-N -1 1 447.919 4.217 50 0 IIAAMM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2S1 ZINC000015730517 568814060 /nfs/dbraw/zinc/81/40/60/568814060.db2.gz VJDOBLWQZQZWGQ-SNVBAGLBSA-N -1 1 432.445 4.209 50 0 IIAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2s1)c1ccccc1 ZINC000015870153 568851619 /nfs/dbraw/zinc/85/16/19/568851619.db2.gz ALRKYEMBVFZNKY-UHFFFAOYSA-N -1 1 427.482 4.489 50 0 IIAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000064580461 568934473 /nfs/dbraw/zinc/93/44/73/568934473.db2.gz TUUQPPJIOWFHGX-UHFFFAOYSA-N -1 1 443.956 4.332 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000010059477 569152194 /nfs/dbraw/zinc/15/21/94/569152194.db2.gz YXOYYYOFSDUCFT-UHFFFAOYSA-N -1 1 438.505 4.259 50 0 IIAAMM O=C(CSc1nc(-c2ccc(Cl)cc2)cc(=O)[n-]1)Nc1oncc1-c1ccccc1 ZINC000016841377 569163218 /nfs/dbraw/zinc/16/32/18/569163218.db2.gz LXSRNRRCBDSVLB-UHFFFAOYSA-N -1 1 438.896 4.476 50 0 IIAAMM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccccn1 ZINC000252467607 569184784 /nfs/dbraw/zinc/18/47/84/569184784.db2.gz VKOBDQZVZBHXGF-UHFFFAOYSA-N -1 1 445.888 4.280 50 0 IIAAMM CCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)cc(OC)c2O3)c1O ZINC000225335640 569290333 /nfs/dbraw/zinc/29/03/33/569290333.db2.gz NBTVFZWDNKCAKL-UHFFFAOYSA-N -1 1 445.269 4.009 50 0 IIAAMM CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)C[C@@H]1c1ccco1 ZINC000328597622 569318121 /nfs/dbraw/zinc/31/81/21/569318121.db2.gz IDAYERDFNCPPGL-HXUWFJFHSA-N -1 1 437.521 4.477 50 0 IIAAMM COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096114520 569382896 /nfs/dbraw/zinc/38/28/96/569382896.db2.gz INGAYPRUHFPLLW-MRXNPFEDSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096114520 569382897 /nfs/dbraw/zinc/38/28/97/569382897.db2.gz INGAYPRUHFPLLW-MRXNPFEDSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1O ZINC000096115016 569383058 /nfs/dbraw/zinc/38/30/58/569383058.db2.gz LKNSDIPVTHXBNG-HNNXBMFYSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000002950396 569432058 /nfs/dbraw/zinc/43/20/58/569432058.db2.gz BNSLAMFURPARJD-GZTJUZNOSA-N -1 1 435.548 4.491 50 0 IIAAMM COc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1NC(C)=O ZINC000003364066 569448054 /nfs/dbraw/zinc/44/80/54/569448054.db2.gz WKRKAPLQJNXVPJ-UHFFFAOYSA-N -1 1 426.494 4.033 50 0 IIAAMM COc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1Cl ZINC000003440085 569451178 /nfs/dbraw/zinc/45/11/78/569451178.db2.gz AYDRLOHMUSQIOW-UHFFFAOYSA-N -1 1 448.903 4.470 50 0 IIAAMM COc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc(OC)c1 ZINC000067294266 569467858 /nfs/dbraw/zinc/46/78/58/569467858.db2.gz XVCZIDUBHFYYQI-LCUIJRPUSA-N -1 1 431.448 4.344 50 0 IIAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067298743 569468077 /nfs/dbraw/zinc/46/80/77/569468077.db2.gz DZWUQZGYSWQAIK-BZIHZDCZSA-N -1 1 448.397 4.178 50 0 IIAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067298713 569468117 /nfs/dbraw/zinc/46/81/17/569468117.db2.gz BUDWTNDGQPXTMT-IDICYNCBSA-N -1 1 432.398 4.298 50 0 IIAAMM CC(=O)Nc1cccc(NC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)c1 ZINC000008879895 569481460 /nfs/dbraw/zinc/48/14/60/569481460.db2.gz CXHSBALBVBWKSN-UHFFFAOYSA-N -1 1 444.443 4.142 50 0 biogenic IIAAMM CC(=O)Nc1cccc(NC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000008879895 569481461 /nfs/dbraw/zinc/48/14/61/569481461.db2.gz CXHSBALBVBWKSN-UHFFFAOYSA-N -1 1 444.443 4.142 50 0 biogenic IIAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000040284677 569497930 /nfs/dbraw/zinc/49/79/30/569497930.db2.gz MKTUUKXLCKDMQT-GOSISDBHSA-N -1 1 446.385 4.186 50 0 IIAAMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC)cc1 ZINC000009167837 569509085 /nfs/dbraw/zinc/50/90/85/569509085.db2.gz KYQJQVSWJLSNTB-UHFFFAOYSA-N -1 1 446.569 4.438 50 0 IIAAMM O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)c1ccc([O-])cc1 ZINC000009216819 569512209 /nfs/dbraw/zinc/51/22/09/569512209.db2.gz PPNXCIVSMZPQFE-UHFFFAOYSA-N -1 1 445.500 4.403 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000009415434 569532249 /nfs/dbraw/zinc/53/22/49/569532249.db2.gz XZTUEQUWJPDGAG-LJQANCHMSA-N -1 1 449.532 4.075 50 0 IIAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccc(C)c(Cl)c3)n2)cc1 ZINC000009641269 569555608 /nfs/dbraw/zinc/55/56/08/569555608.db2.gz XAFNMTULBDKFIQ-UHFFFAOYSA-N -1 1 442.928 4.226 50 0 IIAAMM CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C[C@@H]1c1ccco1 ZINC000009668206 569557905 /nfs/dbraw/zinc/55/79/05/569557905.db2.gz WFDCOYDJPQOENT-HXUWFJFHSA-N -1 1 443.912 4.431 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nnc(-c4cccs4)o3)c2)cc1 ZINC000009714833 569562833 /nfs/dbraw/zinc/56/28/33/569562833.db2.gz XPYATCGLMRRQBW-UHFFFAOYSA-N -1 1 440.506 4.160 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)cc1 ZINC000012548719 518408912 /nfs/dbraw/zinc/40/89/12/518408912.db2.gz HHJYOONDKFWAQM-KRWDZBQOSA-N -1 1 436.533 4.489 50 0 IIAAMM CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000021360007 518443374 /nfs/dbraw/zinc/44/33/74/518443374.db2.gz LNOTUWGEGQMWHX-UHFFFAOYSA-N -1 1 426.469 4.390 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000012126181 519831080 /nfs/dbraw/zinc/83/10/80/519831080.db2.gz CPJAHRAZIHGEND-UHFFFAOYSA-N -1 1 431.418 4.228 50 0 IIAAMM CCC(CC)c1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000012746554 521637365 /nfs/dbraw/zinc/63/73/65/521637365.db2.gz JOODDPFITXEQAU-UHFFFAOYSA-N -1 1 430.555 4.495 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2N2CCCCC2)cc1 ZINC000012585273 524689389 /nfs/dbraw/zinc/68/93/89/524689389.db2.gz NYBGQLKKXGVXEC-OXJNMPFZSA-N -1 1 443.569 4.081 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1NC(C)=O ZINC000012729861 525089366 /nfs/dbraw/zinc/08/93/66/525089366.db2.gz FEMPBFTXAQVRRK-UHFFFAOYSA-N -1 1 434.461 4.109 50 0 IIAAMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1F ZINC000012548721 525331498 /nfs/dbraw/zinc/33/14/98/525331498.db2.gz JRBYJGRTPREWKP-CYBMUJFWSA-N -1 1 434.439 4.396 50 0 IIAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2oc3cc(-n4cnnn4)ccc3c2c1 ZINC000012374608 527248129 /nfs/dbraw/zinc/24/81/29/527248129.db2.gz GRFGHPJLLZVNBN-UHFFFAOYSA-N -1 1 425.857 4.016 50 0 IIAAMM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000000674212 555533076 /nfs/dbraw/zinc/53/30/76/555533076.db2.gz FHEJYZVWNBGQSZ-UHFFFAOYSA-N -1 1 440.521 4.130 50 0 IIAAMM CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc([O-])c(Cl)c2)NC(=O)N1 ZINC000001126896 555641623 /nfs/dbraw/zinc/64/16/23/555641623.db2.gz BGBMADNBTREPCM-INIZCTEOSA-N -1 1 425.794 4.331 50 0 IIAAMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000001196963 555677263 /nfs/dbraw/zinc/67/72/63/555677263.db2.gz XNCFWTGYPNGXFE-UHFFFAOYSA-N -1 1 447.310 4.208 50 0 IIAAMM COC(=O)[C@@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000002050512 555728734 /nfs/dbraw/zinc/72/87/34/555728734.db2.gz SHWPMZAJZYYCCP-SFHVURJKSA-N -1 1 441.406 4.017 50 0 IIAAMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccccn1 ZINC000010556809 555987571 /nfs/dbraw/zinc/98/75/71/555987571.db2.gz OLSSFTKMLFQIFA-SFHVURJKSA-N -1 1 445.544 4.456 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2cccnc2)cc1 ZINC000009679604 556306125 /nfs/dbraw/zinc/30/61/25/556306125.db2.gz NXDNSSVDSBKENF-OAQYLSRUSA-N -1 1 430.489 4.460 50 0 IIAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2cccnc2)cc1 ZINC000009679604 556306127 /nfs/dbraw/zinc/30/61/27/556306127.db2.gz NXDNSSVDSBKENF-OAQYLSRUSA-N -1 1 430.489 4.460 50 0 IIAAMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000013108157 556461735 /nfs/dbraw/zinc/46/17/35/556461735.db2.gz ROMPXBBRKBMAFT-UHFFFAOYSA-N -1 1 438.867 4.371 50 0 IIAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000033274602 556558841 /nfs/dbraw/zinc/55/88/41/556558841.db2.gz MFYZNYBDGGUVOO-UHFFFAOYSA-N -1 1 434.561 4.186 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-][C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC000072307501 556562533 /nfs/dbraw/zinc/56/25/33/556562533.db2.gz WWKKYUVAEJJJHQ-QGZVFWFLSA-N -1 1 429.489 4.441 50 0 IIAAMM CSc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000016732039 556631682 /nfs/dbraw/zinc/63/16/82/556631682.db2.gz TZDBEOMQHZLIMI-RLFYNMQTSA-N -1 1 444.862 4.166 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2F)n1 ZINC000011855677 556662037 /nfs/dbraw/zinc/66/20/37/556662037.db2.gz WYNSEGFYBVKTJL-UHFFFAOYSA-N -1 1 441.463 4.338 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000012006289 556680369 /nfs/dbraw/zinc/68/03/69/556680369.db2.gz YPAPRUDBWWFLTP-UHFFFAOYSA-N -1 1 430.251 4.083 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2c(F)cccc2Cl)n1 ZINC000012007758 556680704 /nfs/dbraw/zinc/68/07/04/556680704.db2.gz YZPOSJHFAQRLOJ-UHFFFAOYSA-N -1 1 441.850 4.384 50 0 IIAAMM COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000137753445 556698033 /nfs/dbraw/zinc/69/80/33/556698033.db2.gz IUBITZYLXRRGMJ-BHDDXSALSA-N -1 1 434.879 4.400 50 0 IIAAMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc21 ZINC000058645102 556791064 /nfs/dbraw/zinc/79/10/64/556791064.db2.gz SWEFGUFEWUOPCP-UHFFFAOYSA-N -1 1 428.535 4.019 50 0 IIAAMM Cc1nc2ncnn2c(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000033122270 556863281 /nfs/dbraw/zinc/86/32/81/556863281.db2.gz MOZCZNZIHQIAIN-UHFFFAOYSA-N -1 1 445.957 4.347 50 0 IIAAMM CCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138513 556870856 /nfs/dbraw/zinc/87/08/56/556870856.db2.gz VFVBXGWTGIZTJI-UHFFFAOYSA-N -1 1 445.541 4.313 50 0 IIAAMM COc1cc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc(OC)c1 ZINC000020228142 557001047 /nfs/dbraw/zinc/00/10/47/557001047.db2.gz WZPFAQFCOUOTMF-UHFFFAOYSA-N -1 1 443.550 4.314 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000033276461 557056905 /nfs/dbraw/zinc/05/69/05/557056905.db2.gz KRNBSADWFUBTOU-UHFFFAOYSA-N -1 1 425.441 4.352 50 0 IIAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000033297883 557073957 /nfs/dbraw/zinc/07/39/57/557073957.db2.gz BUOZXEGGRHXBSG-XFXZXTDPSA-N -1 1 429.473 4.442 50 0 IIAAMM CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101228181 557263630 /nfs/dbraw/zinc/26/36/30/557263630.db2.gz DEFJWDXEEOVJRK-VXNXHJTFSA-N -1 1 441.487 4.005 50 0 IIAAMM CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101228181 557263635 /nfs/dbraw/zinc/26/36/35/557263635.db2.gz DEFJWDXEEOVJRK-VXNXHJTFSA-N -1 1 441.487 4.005 50 0 IIAAMM COc1ccc(CCNC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)c2nnn[n-]2)cc1 ZINC000027562019 557265495 /nfs/dbraw/zinc/26/54/95/557265495.db2.gz MFMJCUMLHIWOFM-XMHGGMMESA-N -1 1 449.898 4.021 50 0 IIAAMM COc1ccc(CCNC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)c2nn[n-]n2)cc1 ZINC000027562019 557265499 /nfs/dbraw/zinc/26/54/99/557265499.db2.gz MFMJCUMLHIWOFM-XMHGGMMESA-N -1 1 449.898 4.021 50 0 IIAAMM O=C(NCCCc1ccccc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828558 557300107 /nfs/dbraw/zinc/30/01/07/557300107.db2.gz ZITAIGZQNXKIPH-UHFFFAOYSA-N -1 1 440.478 4.320 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1 ZINC000033707452 557349672 /nfs/dbraw/zinc/34/96/72/557349672.db2.gz HSYMCFAWQJXYJA-UHFFFAOYSA-N -1 1 444.940 4.470 50 0 IIAAMM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102724277 557369616 /nfs/dbraw/zinc/36/96/16/557369616.db2.gz BQFOUNRVJDTJHS-WXFUMESZSA-N -1 1 444.487 4.069 50 0 IIAAMM Cc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000102811400 557393151 /nfs/dbraw/zinc/39/31/51/557393151.db2.gz DZYFPOSYLSYSBM-UHFFFAOYSA-N -1 1 426.451 4.196 50 0 IIAAMM O=c1oc2ccccc2c(NCc2ccccc2)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000045962182 557557274 /nfs/dbraw/zinc/55/72/74/557557274.db2.gz WCSZYNQBUIVLBX-UHFFFAOYSA-N -1 1 442.443 4.484 50 0 IIAAMM Cc1ccc(S(=O)(=O)Nc2cc([O-])c(Br)cc2Br)c(F)c1 ZINC000225697883 557766111 /nfs/dbraw/zinc/76/61/11/557766111.db2.gz ZAJZCFJRMCYNCX-UHFFFAOYSA-N -1 1 439.100 4.166 50 0 IIAAMM COc1ccc([O-])c(C(=O)c2coc(=N)c(C(=O)Nc3ccc(SC(F)F)cc3)c2)c1 ZINC000009579682 562973478 /nfs/dbraw/zinc/97/34/78/562973478.db2.gz JOLCWSYBUSOJKF-UHFFFAOYSA-N -1 1 446.431 4.271 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C3N=NC(=S)N3c3ccccc3)cc2)ccc1F ZINC000032099719 568780691 /nfs/dbraw/zinc/78/06/91/568780691.db2.gz RDCUELYUBDQPAO-UHFFFAOYSA-N -1 1 440.525 4.471 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1Cl ZINC000015669378 568801913 /nfs/dbraw/zinc/80/19/13/568801913.db2.gz KCJGXKZYZYPKCG-UHFFFAOYSA-N -1 1 443.956 4.387 50 0 IIAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)c(OC)c2c1OCCO2 ZINC000085412020 568818090 /nfs/dbraw/zinc/81/80/90/568818090.db2.gz UXYFLBUEBBCGIJ-FQEVSTJZSA-N -1 1 445.541 4.356 50 0 IIAAMM COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1Cl ZINC000011903638 568819213 /nfs/dbraw/zinc/81/92/13/568819213.db2.gz DDZXGOVWHDDCMX-UHFFFAOYSA-N -1 1 429.929 4.062 50 0 IIAAMM COc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(-n4nc(C)cc4C)nn3)ccc2C)c1 ZINC000085651951 568831625 /nfs/dbraw/zinc/83/16/25/568831625.db2.gz DLNBOZZXSTWCRV-UHFFFAOYSA-N -1 1 449.536 4.064 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cnn(C(C)C)c3)CC(=O)O4)c2=O)cc1 ZINC000085877291 568838561 /nfs/dbraw/zinc/83/85/61/568838561.db2.gz DPYAYPBFEDFWGW-KRWDZBQOSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cnn(C(C)C)c2)cc1 ZINC000085877291 568838563 /nfs/dbraw/zinc/83/85/63/568838563.db2.gz DPYAYPBFEDFWGW-KRWDZBQOSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM O=C([O-])CCCN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000034736504 568889364 /nfs/dbraw/zinc/88/93/64/568889364.db2.gz SAMQYNYDDCLWTA-YDTSGJJXSA-N -1 1 425.868 4.183 50 0 IIAAMM Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000013019974 568902115 /nfs/dbraw/zinc/90/21/15/568902115.db2.gz DXZHACBZGDYCMI-UHFFFAOYSA-N -1 1 427.298 4.327 50 0 IIAAMM COc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC000036390586 569096821 /nfs/dbraw/zinc/09/68/21/569096821.db2.gz RHNZPOPYEVBJRE-UHFFFAOYSA-N -1 1 426.494 4.065 50 0 IIAAMM CCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000065063603 569097563 /nfs/dbraw/zinc/09/75/63/569097563.db2.gz YIQICUAKBGPCAV-UHFFFAOYSA-N -1 1 445.928 4.468 50 0 IIAAMM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccccc5)coc4c32)ccc1O ZINC000524731335 569126427 /nfs/dbraw/zinc/12/64/27/569126427.db2.gz TZDROVPLMGPWDO-HNNXBMFYSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)ccc1O ZINC000524731335 569126428 /nfs/dbraw/zinc/12/64/28/569126428.db2.gz TZDROVPLMGPWDO-HNNXBMFYSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(C)csc4n3)c2)cc1 ZINC000017144085 569174634 /nfs/dbraw/zinc/17/46/34/569174634.db2.gz INNRZEKLFRUVAZ-UHFFFAOYSA-N -1 1 426.523 4.130 50 0 IIAAMM CCCCCCn1c([O-])c(C(=O)Nc2ccsc2C(=O)OC)c(=O)c2ccccc21 ZINC000002291510 569268004 /nfs/dbraw/zinc/26/80/04/569268004.db2.gz XLSISNHGCLZQDO-UHFFFAOYSA-N -1 1 428.510 4.388 50 0 IIAAMM O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137175 569335869 /nfs/dbraw/zinc/33/58/69/569335869.db2.gz XQHMLUMTHYLWBI-KRWDZBQOSA-N -1 1 440.468 4.425 50 0 IIAAMM COc1cccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 ZINC000096114515 569382870 /nfs/dbraw/zinc/38/28/70/569382870.db2.gz VBXBQZGRHZQLFL-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)c1 ZINC000096114515 569382871 /nfs/dbraw/zinc/38/28/71/569382871.db2.gz VBXBQZGRHZQLFL-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COC(=O)C[C@@H](c1c(Cc2cc(F)c(F)cc2F)[n-][nH]c1=O)c1ccc(F)c(F)c1 ZINC000096231525 569387609 /nfs/dbraw/zinc/38/76/09/569387609.db2.gz PAAOMLUZGMZGBT-LLVKDONJSA-N -1 1 426.341 4.097 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)cc1 ZINC000028049243 569406750 /nfs/dbraw/zinc/40/67/50/569406750.db2.gz CVKKUMCYSDEHAQ-UHFFFAOYSA-N -1 1 445.610 4.411 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c(OC)c2)cc1 ZINC000003235297 569442423 /nfs/dbraw/zinc/44/24/23/569442423.db2.gz MXYJSVCRSSMPGT-UHFFFAOYSA-N -1 1 442.493 4.253 50 0 IIAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1 ZINC000032097462 569459928 /nfs/dbraw/zinc/45/99/28/569459928.db2.gz AYIJFCODRIKQNK-NRFANRHFSA-N -1 1 448.350 4.427 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1F ZINC000008840978 569478453 /nfs/dbraw/zinc/47/84/53/569478453.db2.gz PJUZNVQFWSLJHO-UHFFFAOYSA-N -1 1 434.533 4.351 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000008961263 569490995 /nfs/dbraw/zinc/49/09/95/569490995.db2.gz YUFHVGXRWNZZIR-UHFFFAOYSA-N -1 1 437.477 4.112 50 0 IIAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)CSc2nnc(NCc3ccco3)s2)cc1 ZINC000008980682 569493114 /nfs/dbraw/zinc/49/31/14/569493114.db2.gz CLXBWOPTRLTDLW-UHFFFAOYSA-N -1 1 430.555 4.089 50 0 IIAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000040309081 569498693 /nfs/dbraw/zinc/49/86/93/569498693.db2.gz NWUBMHUCKNNHDZ-SFHVURJKSA-N -1 1 441.285 4.050 50 0 biogenic IIAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)ccc1Br ZINC000009117008 569503074 /nfs/dbraw/zinc/50/30/74/569503074.db2.gz PPDHKJNTBQJFPJ-ZDUSSCGKSA-N -1 1 449.370 4.246 50 0 IIAAMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc2N1C(=O)C1CCC1 ZINC000009152549 569507823 /nfs/dbraw/zinc/50/78/23/569507823.db2.gz WHXYVVXRHLIMFV-ZDUSSCGKSA-N -1 1 449.370 4.328 50 0 IIAAMM CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)cc(OC)c2O3)cc1 ZINC000009290433 569519723 /nfs/dbraw/zinc/51/97/23/569519723.db2.gz GDRGAVGGBNEPCJ-UHFFFAOYSA-N -1 1 429.270 4.303 50 0 IIAAMM CCC(CC)C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000009467365 569538358 /nfs/dbraw/zinc/53/83/58/569538358.db2.gz IVESCJFJDNQXSM-UHFFFAOYSA-N -1 1 445.585 4.471 50 0 IIAAMM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC1 ZINC000009157432 132307309 /nfs/dbraw/zinc/30/73/09/132307309.db2.gz YMPHOYHCNXDECL-UHFFFAOYSA-N -1 1 433.961 4.480 50 0 IIAAMM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000032943879 519635456 /nfs/dbraw/zinc/63/54/56/519635456.db2.gz JDGGAWPRXRNHNN-LLVKDONJSA-N -1 1 430.473 4.353 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1C ZINC000035683999 519638493 /nfs/dbraw/zinc/63/84/93/519638493.db2.gz DYQHFBLFVHNVHH-XMMPIXPASA-N -1 1 433.533 4.493 50 0 IIAAMM COc1ccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)c(C)o2)c(OC)c1 ZINC000035480805 523213638 /nfs/dbraw/zinc/21/36/38/523213638.db2.gz RNGUCEIBNDPFGO-UHFFFAOYSA-N -1 1 427.404 4.062 50 0 IIAAMM Cc1cccc(N2CCN(C(=O)Cn3c(=S)[n-]nc3-c3ccc(Cl)cc3)CC2)c1C ZINC000012516700 524547870 /nfs/dbraw/zinc/54/78/70/524547870.db2.gz MODDKANXIVCTQP-UHFFFAOYSA-N -1 1 441.988 4.227 50 0 IIAAMM O=C(NCc1ccccn1)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000012520976 526765087 /nfs/dbraw/zinc/76/50/87/526765087.db2.gz QVGBJYMSDNAUFO-UHFFFAOYSA-N -1 1 449.504 4.127 50 0 IIAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1n[nH]c2ccccc21 ZINC000012560181 527372017 /nfs/dbraw/zinc/37/20/17/527372017.db2.gz YEVVVOXUKXUVIF-UHFFFAOYSA-N -1 1 426.885 4.269 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000000673945 555532511 /nfs/dbraw/zinc/53/25/11/555532511.db2.gz WUABDVADMIQORK-UHFFFAOYSA-N -1 1 430.551 4.213 50 0 IIAAMM CCCN(CCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000986426 555595082 /nfs/dbraw/zinc/59/50/82/555595082.db2.gz JZNXGIOLKOWRTI-UHFFFAOYSA-N -1 1 438.615 4.223 50 0 IIAAMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(Br)c3)C2=O)cc1 ZINC000001144260 555652077 /nfs/dbraw/zinc/65/20/77/555652077.db2.gz GUSLZRMDWNPDEI-SXGWCWSVSA-N -1 1 447.310 4.138 50 0 IIAAMM CCCCN(CCCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008432882 556172176 /nfs/dbraw/zinc/17/21/76/556172176.db2.gz RKJQZIBUGYMFGJ-UHFFFAOYSA-N -1 1 438.615 4.387 50 0 IIAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2nnc(SCc3ccccc3)s2)n1 ZINC000009194035 556254393 /nfs/dbraw/zinc/25/43/93/556254393.db2.gz AFVJMYASADAVLS-UHFFFAOYSA-N -1 1 433.584 4.009 50 0 IIAAMM O=c1[n-]c(NNC(=S)NCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000015974021 556570294 /nfs/dbraw/zinc/57/02/94/556570294.db2.gz JTJSAVQXRJLEKB-UHFFFAOYSA-N -1 1 445.592 4.186 50 0 IIAAMM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2s1 ZINC000033007515 556656541 /nfs/dbraw/zinc/65/65/41/556656541.db2.gz PKPHLYNUIFSJKS-UHFFFAOYSA-N -1 1 440.344 4.208 50 0 IIAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4cccc(C)c4)CC2)nc3=O)cc1 ZINC000044169317 556666438 /nfs/dbraw/zinc/66/64/38/556666438.db2.gz YROLEEFIMOZSLU-UHFFFAOYSA-N -1 1 432.549 4.295 50 0 IIAAMM CCCCOc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000012008141 556680664 /nfs/dbraw/zinc/68/06/64/556680664.db2.gz AWYVHQFPMQJQQP-UHFFFAOYSA-N -1 1 447.495 4.264 50 0 IIAAMM COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137710731 556698091 /nfs/dbraw/zinc/69/80/91/556698091.db2.gz OJWSVBCPLATMAB-BHDDXSALSA-N -1 1 434.879 4.400 50 0 IIAAMM COc1cccc(Cc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)c1 ZINC000033122960 556864085 /nfs/dbraw/zinc/86/40/85/556864085.db2.gz HTLCKZIVCZNVCS-UHFFFAOYSA-N -1 1 439.468 4.276 50 0 IIAAMM Cc1nc(SCc2ccccc2F)[n-]c(=O)c1CC(=O)NCc1ccccc1Cl ZINC000023138637 557021996 /nfs/dbraw/zinc/02/19/96/557021996.db2.gz OWSQCHARICPYPX-UHFFFAOYSA-N -1 1 431.920 4.022 50 0 IIAAMM CC(C)Cn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c2ccccc21 ZINC000048346151 557071862 /nfs/dbraw/zinc/07/18/62/557071862.db2.gz SXKAXPURYVOMEK-UHFFFAOYSA-N -1 1 441.553 4.040 50 0 IIAAMM O=C(NC1CCCC1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421055 557107469 /nfs/dbraw/zinc/10/74/69/557107469.db2.gz URVURZZSFDTDFY-UHFFFAOYSA-N -1 1 440.544 4.066 50 0 IIAAMM O=C(NC1CCCCC1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421125 557107766 /nfs/dbraw/zinc/10/77/66/557107766.db2.gz SPZISLLPCVEUJI-QGZVFWFLSA-N -1 1 436.581 4.317 50 0 IIAAMM Cc1noc(C(C)C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000014939114 557123891 /nfs/dbraw/zinc/12/38/91/557123891.db2.gz WYHRZYMHIYWOOH-UHFFFAOYSA-N -1 1 435.452 4.438 50 0 IIAAMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000024079025 557135580 /nfs/dbraw/zinc/13/55/80/557135580.db2.gz SIRLZCUHEUBLNE-AWEZNQCLSA-N -1 1 444.532 4.422 50 0 IIAAMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000024258807 557142122 /nfs/dbraw/zinc/14/21/22/557142122.db2.gz WURBWSWXBNNKSL-UHFFFAOYSA-N -1 1 438.221 4.055 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@H]1c1cccs1 ZINC000100821744 557188227 /nfs/dbraw/zinc/18/82/27/557188227.db2.gz CDTJVVHHQNYUOW-INIZCTEOSA-N -1 1 425.535 4.128 50 0 IIAAMM COc1cc(F)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000025311680 557203469 /nfs/dbraw/zinc/20/34/69/557203469.db2.gz DJBAPKIUGIEMJN-UHFFFAOYSA-N -1 1 432.448 4.335 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3csc4nc(C)cc(=O)n34)c2)c1 ZINC000011696361 557233175 /nfs/dbraw/zinc/23/31/75/557233175.db2.gz AXTSBVAIVZIJCR-UHFFFAOYSA-N -1 1 425.535 4.149 50 0 IIAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101173076 557260209 /nfs/dbraw/zinc/26/02/09/557260209.db2.gz BSHNXEWKJQWCMI-VXNXHJTFSA-N -1 1 444.487 4.150 50 0 IIAAMM COc1ccc(-n2nc3c4cc(C(=O)NC5CCC(C)CC5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281840 557266969 /nfs/dbraw/zinc/26/69/69/557266969.db2.gz OHFQLJARSGCOKA-UHFFFAOYSA-N -1 1 430.508 4.136 50 0 IIAAMM CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5F)ccc4[n-]cc-3c2=O)cc1 ZINC000101827604 557299551 /nfs/dbraw/zinc/29/95/51/557299551.db2.gz JMBALVTYWBESMB-UHFFFAOYSA-N -1 1 440.478 4.450 50 0 IIAAMM COc1ccc(-n2nc3c4cc(C(=O)N[C@H](C)c5ccccc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101828309 557299839 /nfs/dbraw/zinc/29/98/39/557299839.db2.gz WXQMTBRPMUPTJK-MRXNPFEDSA-N -1 1 438.487 4.318 50 0 IIAAMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000033574703 557412618 /nfs/dbraw/zinc/41/26/18/557412618.db2.gz PQPNDZKUQYFFIQ-UHFFFAOYSA-N -1 1 430.913 4.079 50 0 IIAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(OC)c1)C(C(=O)OCC)=C(C)N2 ZINC000044973771 557542003 /nfs/dbraw/zinc/54/20/03/557542003.db2.gz FOMXHYJZUJASDI-QGZVFWFLSA-N -1 1 429.542 4.065 50 0 IIAAMM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000008600293 562955052 /nfs/dbraw/zinc/95/50/52/562955052.db2.gz GRDKIYRDFMECMW-UHFFFAOYSA-N -1 1 432.498 4.039 50 0 IIAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)[n-]c1=O ZINC000015729544 563018000 /nfs/dbraw/zinc/01/80/00/563018000.db2.gz YCCQATCZPHHZJA-UHFFFAOYSA-N -1 1 441.491 4.011 50 0 IIAAMM CCOC(=O)c1c(NC(=O)CC([O-])(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2 ZINC000003629237 568752025 /nfs/dbraw/zinc/75/20/25/568752025.db2.gz CDPZNIICOWPLSC-UHFFFAOYSA-N -1 1 447.397 4.378 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccnn3C(C)C)CC(=O)O4)c2=O)cc1 ZINC000085878445 568838777 /nfs/dbraw/zinc/83/87/77/568838777.db2.gz MBKIFUBFTJSHFS-INIZCTEOSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccnn2C(C)C)cc1 ZINC000085878445 568838778 /nfs/dbraw/zinc/83/87/78/568838778.db2.gz MBKIFUBFTJSHFS-INIZCTEOSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1F ZINC000015882223 568856661 /nfs/dbraw/zinc/85/66/61/568856661.db2.gz PESSKEUPVWMDQN-UHFFFAOYSA-N -1 1 442.516 4.082 50 0 IIAAMM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(C)s2)no1 ZINC000064844643 568971867 /nfs/dbraw/zinc/97/18/67/568971867.db2.gz ZLUPRXPISXHDLL-UHFFFAOYSA-N -1 1 433.433 4.368 50 0 IIAAMM Cn1cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000036365747 569087001 /nfs/dbraw/zinc/08/70/01/569087001.db2.gz RRBVUHXIOGVLOB-BTYIYWSLSA-N -1 1 449.532 4.492 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1Cl ZINC000065021095 569088664 /nfs/dbraw/zinc/08/86/64/569088664.db2.gz JLAPTFNLNZCQQA-UHFFFAOYSA-N -1 1 436.961 4.430 50 0 IIAAMM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063368 569097864 /nfs/dbraw/zinc/09/78/64/569097864.db2.gz LEURXZJFEYCTIV-MRXNPFEDSA-N -1 1 425.510 4.203 50 0 IIAAMM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063333 569097914 /nfs/dbraw/zinc/09/79/14/569097914.db2.gz CZNBSEKNDNDSDH-UHFFFAOYSA-N -1 1 431.901 4.078 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1F ZINC000065096427 569103522 /nfs/dbraw/zinc/10/35/22/569103522.db2.gz VRERMHCOPNMZOU-UHFFFAOYSA-N -1 1 449.467 4.318 50 0 IIAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115248 569106723 /nfs/dbraw/zinc/10/67/23/569106723.db2.gz MQIREBWHHPTTRT-UHFFFAOYSA-N -1 1 433.917 4.217 50 0 IIAAMM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000065183852 569113971 /nfs/dbraw/zinc/11/39/71/569113971.db2.gz RXVTWQMILCCVKQ-UHFFFAOYSA-N -1 1 429.365 4.094 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1C ZINC000013696340 569156681 /nfs/dbraw/zinc/15/66/81/569156681.db2.gz FANCYERJLFEOMI-UHFFFAOYSA-N -1 1 428.554 4.274 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1Cl ZINC000013696351 569156715 /nfs/dbraw/zinc/15/67/15/569156715.db2.gz WRNTWRNMXIOFST-UHFFFAOYSA-N -1 1 434.945 4.229 50 0 IIAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000016849685 569164657 /nfs/dbraw/zinc/16/46/57/569164657.db2.gz WFBDJHJAQVAFAE-UHFFFAOYSA-N -1 1 427.508 4.119 50 0 IIAAMM COc1ccc([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470855 569282579 /nfs/dbraw/zinc/28/25/79/569282579.db2.gz HCLXYHHMAMKMFJ-OAQYLSRUSA-N -1 1 446.503 4.025 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c2ccccc12 ZINC000095465701 569370813 /nfs/dbraw/zinc/37/08/13/569370813.db2.gz MBHXJLOZYZTKFU-UHFFFAOYSA-N -1 1 432.914 4.257 50 0 IIAAMM CC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1Cl ZINC000095953589 569376664 /nfs/dbraw/zinc/37/66/64/569376664.db2.gz GRXGFGLMLQTBQG-UHFFFAOYSA-N -1 1 441.958 4.060 50 0 IIAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1O ZINC000096115017 569382976 /nfs/dbraw/zinc/38/29/76/569382976.db2.gz LKNSDIPVTHXBNG-OAHLLOKOSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000096116380 569383593 /nfs/dbraw/zinc/38/35/93/569383593.db2.gz BDKMMHQEDRPGOX-OAHLLOKOSA-N -1 1 444.395 4.041 50 0 biogenic IIAAMM COc1cccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1OC ZINC000040106664 569488398 /nfs/dbraw/zinc/48/83/98/569488398.db2.gz RUQKPBCAPPIBQA-UHFFFAOYSA-N -1 1 426.494 4.065 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1F ZINC000008961041 569490866 /nfs/dbraw/zinc/49/08/66/569490866.db2.gz AWVBDWGBQLOIAC-UHFFFAOYSA-N -1 1 428.441 4.017 50 0 IIAAMM CCCCc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cc(C)on3)s2)cc1 ZINC000070634981 569548620 /nfs/dbraw/zinc/54/86/20/569548620.db2.gz SSQCBIBXCILUOO-UHFFFAOYSA-N -1 1 431.543 4.160 50 0 IIAAMM C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009585766 569549570 /nfs/dbraw/zinc/54/95/70/569549570.db2.gz SAGYFMKUKZCMLM-CYBMUJFWSA-N -1 1 434.473 4.341 50 0 IIAAMM COc1ccc(Cl)cc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597750 569550932 /nfs/dbraw/zinc/55/09/32/569550932.db2.gz XZDBNKIMXSVTDV-GOSISDBHSA-N -1 1 436.942 4.068 50 0 IIAAMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000010515422 569582639 /nfs/dbraw/zinc/58/26/39/569582639.db2.gz PEHGMGBCUDKEQM-UHFFFAOYSA-N -1 1 440.365 4.227 50 0 IIAAMM CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)s1 ZINC000006146315 193884016 /nfs/dbraw/zinc/88/40/16/193884016.db2.gz CCGYOCAECXVINT-UHFFFAOYSA-N -1 1 448.595 4.320 50 0 IIAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2s1 ZINC000015870408 519880452 /nfs/dbraw/zinc/88/04/52/519880452.db2.gz PRIVRJGWXVNETI-UHFFFAOYSA-N -1 1 439.946 4.498 50 0 IIAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1O ZINC000020464005 520775981 /nfs/dbraw/zinc/77/59/81/520775981.db2.gz ZWHJNEKHMJXQBY-INIZCTEOSA-N -1 1 437.521 4.361 50 0 IIAAMM CCCN(CCC)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000021220930 521641025 /nfs/dbraw/zinc/64/10/25/521641025.db2.gz PDVLYBINIUVPRE-UHFFFAOYSA-N -1 1 445.516 4.143 50 0 IIAAMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000012604891 524000144 /nfs/dbraw/zinc/00/01/44/524000144.db2.gz ZUNLKTRFKOIJMT-UHFFFAOYSA-N -1 1 446.475 4.046 50 0 IIAAMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccncc1 ZINC000012548451 525333344 /nfs/dbraw/zinc/33/33/44/525333344.db2.gz RRDVOUWVJSAENI-CQSZACIVSA-N -1 1 449.454 4.392 50 0 IIAAMM COc1cccc(CSc2nc(C)c(CC(=O)Nc3ccccc3SC)c(=O)[n-]2)c1 ZINC000023138562 526067459 /nfs/dbraw/zinc/06/74/59/526067459.db2.gz QGWSDUOTTMBRER-UHFFFAOYSA-N -1 1 441.578 4.282 50 0 IIAAMM O=C(CCC1CCCCC1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000012010171 526408100 /nfs/dbraw/zinc/40/81/00/526408100.db2.gz IRVWLXOAEZKYPK-UHFFFAOYSA-N -1 1 435.528 4.393 50 0 IIAAMM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccccc3)c2)N1c1ccccc1F ZINC000035910253 527017158 /nfs/dbraw/zinc/01/71/58/527017158.db2.gz JFAIUHMEDCNKHY-OAQYLSRUSA-N -1 1 428.510 4.405 50 0 IIAAMM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccccc3)c2)N1c1ccccc1F ZINC000035910254 527017218 /nfs/dbraw/zinc/01/72/18/527017218.db2.gz JFAIUHMEDCNKHY-NRFANRHFSA-N -1 1 428.510 4.405 50 0 IIAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000000646704 555521297 /nfs/dbraw/zinc/52/12/97/555521297.db2.gz WREPZMBMGIKFDE-UHFFFAOYSA-N -1 1 444.578 4.252 50 0 IIAAMM COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000001079518 555625647 /nfs/dbraw/zinc/62/56/47/555625647.db2.gz QCXGEZUHRWAOQU-UHFFFAOYSA-N -1 1 438.549 4.351 50 0 IIAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000001137737 555647820 /nfs/dbraw/zinc/64/78/20/555647820.db2.gz RUBHAGOAFMEYAM-UHFFFAOYSA-N -1 1 436.942 4.250 50 0 IIAAMM Cc1nc(SCC(=O)Nc2ccc(Br)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000001139549 555649089 /nfs/dbraw/zinc/64/90/89/555649089.db2.gz QBDYDTXVYPHCSV-UHFFFAOYSA-N -1 1 444.354 4.162 50 0 IIAAMM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915410 556232577 /nfs/dbraw/zinc/23/25/77/556232577.db2.gz RWECVCFVBJZYFD-VBQJREDUSA-N -1 1 433.213 4.097 50 0 IIAAMM Cc1nnc([N-]C(=O)c2nc(SCc3ccccc3F)ncc2Br)s1 ZINC000013683394 556274644 /nfs/dbraw/zinc/27/46/44/556274644.db2.gz FWBVPGMODLBLSJ-UHFFFAOYSA-N -1 1 440.323 4.083 50 0 IIAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000028466758 556455359 /nfs/dbraw/zinc/45/53/59/556455359.db2.gz BUGLEFONODGNNB-ZDUSSCGKSA-N -1 1 426.325 4.193 50 0 IIAAMM CC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000013096092 556456890 /nfs/dbraw/zinc/45/68/90/556456890.db2.gz ALQTZOYJXZTGES-UHFFFAOYSA-N -1 1 443.912 4.352 50 0 IIAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(-c4cccnc4)on3)ccc2C)c1 ZINC000032926719 556655704 /nfs/dbraw/zinc/65/57/04/556655704.db2.gz DQDLLYMOVLCSIR-UHFFFAOYSA-N -1 1 448.504 4.407 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc2sc(NC(C)=O)nc21 ZINC000033007924 556656784 /nfs/dbraw/zinc/65/67/84/556656784.db2.gz CMYDLISFIOJSGY-UHFFFAOYSA-N -1 1 433.555 4.362 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)n1 ZINC000011855628 556662139 /nfs/dbraw/zinc/66/21/39/556662139.db2.gz WIYKBPKQVDXMTB-UHFFFAOYSA-N -1 1 437.500 4.128 50 0 IIAAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000017243078 556674258 /nfs/dbraw/zinc/67/42/58/556674258.db2.gz HKLWTKKDOGHQGI-GOSISDBHSA-N -1 1 443.569 4.310 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000137817117 556698369 /nfs/dbraw/zinc/69/83/69/556698369.db2.gz PUCZXUVHKHVZFL-RBZQAINGSA-N -1 1 444.487 4.063 50 0 IIAAMM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000022993290 556832318 /nfs/dbraw/zinc/83/23/18/556832318.db2.gz CCHNQWXPMJYRFI-CQSZACIVSA-N -1 1 446.912 4.252 50 0 IIAAMM CC[C@@H](C)NC(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1 ZINC000033114335 556861178 /nfs/dbraw/zinc/86/11/78/556861178.db2.gz IUOATSGKVBLOJN-GFCCVEGCSA-N -1 1 446.479 4.176 50 0 IIAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2sc1=O ZINC000046017516 557020697 /nfs/dbraw/zinc/02/06/97/557020697.db2.gz FZRMUCDAGGJKPX-UHFFFAOYSA-N -1 1 427.345 4.036 50 0 IIAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)c1 ZINC000046074836 557031043 /nfs/dbraw/zinc/03/10/43/557031043.db2.gz DOHGNHZQKPWKQV-SFHVURJKSA-N -1 1 448.548 4.052 50 0 IIAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000046074965 557031441 /nfs/dbraw/zinc/03/14/41/557031441.db2.gz LWRWFKIHJPFHNY-GOSISDBHSA-N -1 1 448.548 4.052 50 0 IIAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1C ZINC000046075601 557032482 /nfs/dbraw/zinc/03/24/82/557032482.db2.gz GAQUHGXJVZADQI-SFHVURJKSA-N -1 1 448.548 4.052 50 0 IIAAMM O=C(NCc1ccccc1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421136 557107815 /nfs/dbraw/zinc/10/78/15/557107815.db2.gz MXYCSBJLEOKOJN-LJQANCHMSA-N -1 1 444.560 4.184 50 0 IIAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000017780337 557121547 /nfs/dbraw/zinc/12/15/47/557121547.db2.gz YCFGGOFKEXXIIW-VXNXHJTFSA-N -1 1 428.488 4.363 50 0 IIAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018101277 557236708 /nfs/dbraw/zinc/23/67/08/557236708.db2.gz RJMNYYGBCXEPKN-SMIHKQSGSA-N -1 1 444.487 4.150 50 0 IIAAMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3Cl)cc2)c[nH]1)N1CCCC1 ZINC000026536027 557243806 /nfs/dbraw/zinc/24/38/06/557243806.db2.gz AENSESFEKGTUAK-UHFFFAOYSA-N -1 1 445.928 4.497 50 0 IIAAMM COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000027063576 557256198 /nfs/dbraw/zinc/25/61/98/557256198.db2.gz FTXSDJBEEGRCQH-UHFFFAOYSA-N -1 1 436.533 4.397 50 0 IIAAMM COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000027063543 557256232 /nfs/dbraw/zinc/25/62/32/557256232.db2.gz STFKMZHZNCXALU-UHFFFAOYSA-N -1 1 440.496 4.228 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)cc1 ZINC000022975503 557275437 /nfs/dbraw/zinc/27/54/37/557275437.db2.gz IDVSZGRFHGGEBK-UHFFFAOYSA-N -1 1 446.554 4.113 50 0 IIAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629059 557291802 /nfs/dbraw/zinc/29/18/02/557291802.db2.gz YSZSCEWZAULDHA-OYRHEFFESA-N -1 1 440.565 4.088 50 0 IIAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c1=O ZINC000101766590 557295854 /nfs/dbraw/zinc/29/58/54/557295854.db2.gz FGADVGNVQHISIW-IBGZPJMESA-N -1 1 437.521 4.106 50 0 IIAAMM Cc1ccc(CN(C(=O)CC(C)C)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101809434 557299162 /nfs/dbraw/zinc/29/91/62/557299162.db2.gz UTLCRHDDTMPJPZ-UHFFFAOYSA-N -1 1 443.551 4.205 50 0 IIAAMM COc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccccc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101828302 557299659 /nfs/dbraw/zinc/29/96/59/557299659.db2.gz WXQMTBRPMUPTJK-INIZCTEOSA-N -1 1 438.487 4.318 50 0 IIAAMM O=C(NCc1ccc(F)cc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828693 557300080 /nfs/dbraw/zinc/30/00/80/557300080.db2.gz PECSQRIIACXDCE-UHFFFAOYSA-N -1 1 430.414 4.027 50 0 IIAAMM C[C@@H](NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1)c1ccc(F)cc1 ZINC000101828362 557300216 /nfs/dbraw/zinc/30/02/16/557300216.db2.gz VTIUAOVDFLWHTN-OAHLLOKOSA-N -1 1 426.451 4.449 50 0 IIAAMM CCc1ccc(CN(C(=O)c2ccccc2Cl)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101877905 557304320 /nfs/dbraw/zinc/30/43/20/557304320.db2.gz JZEQXMGVSYQZMU-UHFFFAOYSA-N -1 1 435.915 4.097 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccco3)nn2c1=O ZINC000101878527 557304607 /nfs/dbraw/zinc/30/46/07/557304607.db2.gz NPOXPZNHSSHOIO-UHFFFAOYSA-N -1 1 439.903 4.162 50 0 IIAAMM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000086057762 568642430 /nfs/dbraw/zinc/64/24/30/568642430.db2.gz GIHMIPCASFOXLD-QGZVFWFLSA-N -1 1 439.512 4.464 50 0 IIAAMM COc1cccc(CNCc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])c1OC ZINC000015776891 568823605 /nfs/dbraw/zinc/82/36/05/568823605.db2.gz JUYTZCZUKHYCNZ-UHFFFAOYSA-N -1 1 426.488 4.298 50 0 IIAAMM O=C(NCc1ccc(Cl)cc1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000006146799 568846239 /nfs/dbraw/zinc/84/62/39/568846239.db2.gz GFTQVDWTSZRZGP-UHFFFAOYSA-N -1 1 436.867 4.349 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1C ZINC000015882219 568856814 /nfs/dbraw/zinc/85/68/14/568856814.db2.gz SNKYNDAIUNVACT-UHFFFAOYSA-N -1 1 438.553 4.252 50 0 IIAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@@H]3c1cccc(O)c1 ZINC000524729204 568903809 /nfs/dbraw/zinc/90/38/09/568903809.db2.gz IQGCBSHSYIAFDQ-MRXNPFEDSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CCOC(=O)C(C#N)=N[N-]c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC ZINC000252609362 568926147 /nfs/dbraw/zinc/92/61/47/568926147.db2.gz HSMBPCNYTSWLCU-UHFFFAOYSA-N -1 1 435.267 4.109 50 0 IIAAMM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)c3)nn12 ZINC000064983821 569081902 /nfs/dbraw/zinc/08/19/02/569081902.db2.gz OWLDGWGFEHVJAJ-UHFFFAOYSA-N -1 1 427.917 4.171 50 0 IIAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000065116370 569107374 /nfs/dbraw/zinc/10/73/74/569107374.db2.gz ZNYPWXCWGFOKIC-UHFFFAOYSA-N -1 1 435.452 4.250 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 ZINC000016838830 569162900 /nfs/dbraw/zinc/16/29/00/569162900.db2.gz HUJPQBVRTNAMFZ-UHFFFAOYSA-N -1 1 438.553 4.333 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000016890495 569165425 /nfs/dbraw/zinc/16/54/25/569165425.db2.gz HYEAIFNOZYBOJK-UHFFFAOYSA-N -1 1 449.532 4.039 50 0 IIAAMM COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096114519 569382911 /nfs/dbraw/zinc/38/29/11/569382911.db2.gz INGAYPRUHFPLLW-INIZCTEOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096114519 569382912 /nfs/dbraw/zinc/38/29/12/569382912.db2.gz INGAYPRUHFPLLW-INIZCTEOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)ccc1O ZINC000096115122 569383166 /nfs/dbraw/zinc/38/31/66/569383166.db2.gz YEGUFAVHZFFLEF-HNNXBMFYSA-N -1 1 446.411 4.026 50 0 biogenic IIAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1ccccc1OCc1ccccn1 ZINC000096118114 569384429 /nfs/dbraw/zinc/38/44/29/569384429.db2.gz ZVLDMCDGTQZHOY-NRFANRHFSA-N -1 1 443.503 4.375 50 0 IIAAMM O=S(=O)([N-]c1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCCC2 ZINC000096119627 569384731 /nfs/dbraw/zinc/38/47/31/569384731.db2.gz KMMQTGKDSBGLSC-UHFFFAOYSA-N -1 1 446.532 4.402 50 0 IIAAMM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000096322201 569394451 /nfs/dbraw/zinc/39/44/51/569394451.db2.gz MKDMXNKXZIBKBS-UHFFFAOYSA-N -1 1 442.285 4.331 50 0 IIAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc2ccccc2o1 ZINC000003239791 569442517 /nfs/dbraw/zinc/44/25/17/569442517.db2.gz QJHGIVTZEVSIKI-UHFFFAOYSA-N -1 1 435.457 4.273 50 0 IIAAMM O=C(Nc1nccs1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003259778 569443201 /nfs/dbraw/zinc/44/32/01/569443201.db2.gz OTTRBMZMOSLREL-UHFFFAOYSA-N -1 1 427.429 4.215 50 0 IIAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(CC(=O)NCc2cccs2)cc1 ZINC000038678511 569466641 /nfs/dbraw/zinc/46/66/41/569466641.db2.gz PGLTWGVSNDWPOA-UHFFFAOYSA-N -1 1 434.970 4.370 50 0 IIAAMM O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1[O-])Nc1ccc(OC(F)(F)F)cc1 ZINC000008719491 569471417 /nfs/dbraw/zinc/47/14/17/569471417.db2.gz JHARHVILCDTAFO-OAHLLOKOSA-N -1 1 448.426 4.073 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1F ZINC000008961476 569491042 /nfs/dbraw/zinc/49/10/42/569491042.db2.gz QQOWGJSFMFBFLK-UHFFFAOYSA-N -1 1 442.468 4.326 50 0 IIAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000040310044 569498833 /nfs/dbraw/zinc/49/88/33/569498833.db2.gz AMYBAVSRXPTBSU-GOSISDBHSA-N -1 1 441.285 4.050 50 0 biogenic IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2N2CCCC2)cc1 ZINC000009127446 569505182 /nfs/dbraw/zinc/50/51/82/569505182.db2.gz CBGHGBXCGGTGSB-UHFFFAOYSA-N -1 1 443.569 4.225 50 0 IIAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c[nH]c2ccccc12 ZINC000009245257 569515270 /nfs/dbraw/zinc/51/52/70/569515270.db2.gz DNCFBEGBSVOBBO-UHFFFAOYSA-N -1 1 434.473 4.008 50 0 IIAAMM Cc1c(CC(=O)NCC(c2ccccc2)c2ccccc2)c(=O)oc2cc(O)cc([O-])c12 ZINC000009348700 569524498 /nfs/dbraw/zinc/52/44/98/569524498.db2.gz BPQDFJDVJYAICV-UHFFFAOYSA-N -1 1 429.472 4.003 50 0 IIAAMM Cc1cc(C)n(CCc2nc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3n2C)n1 ZINC000009410858 569531484 /nfs/dbraw/zinc/53/14/84/569531484.db2.gz PTXWIMFMWDZXDR-UHFFFAOYSA-N -1 1 443.960 4.084 50 0 IIAAMM Nc1nc(SCc2c(F)cccc2Cl)[n-]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000009518160 569543933 /nfs/dbraw/zinc/54/39/33/569543933.db2.gz UPNVRVPNBKOZOV-UHFFFAOYSA-N -1 1 439.299 4.343 50 0 IIAAMM CCc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000009640899 569555558 /nfs/dbraw/zinc/55/55/58/569555558.db2.gz RDPHNFVPOIAEIK-UHFFFAOYSA-N -1 1 426.929 4.472 50 0 IIAAMM COc1cccc(-c2nc3cc(=O)[n-]n3c(SCc3ccc(Br)cc3)n2)c1 ZINC000009641218 569555633 /nfs/dbraw/zinc/55/56/33/569555633.db2.gz LPXWPNYGXARDIA-UHFFFAOYSA-N -1 1 443.326 4.148 50 0 IIAAMM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000009707408 569561563 /nfs/dbraw/zinc/56/15/63/569561563.db2.gz DOAVBZOIKOSAMN-UHFFFAOYSA-N -1 1 425.897 4.148 50 0 IIAAMM CCOC(=O)C(=C([O-])COC(=O)c1ccccc1Nc1ccccc1)c1nc(C)cs1 ZINC000009765217 569566749 /nfs/dbraw/zinc/56/67/49/569566749.db2.gz LQVRXKDNWFLURU-FQEVSTJZSA-N -1 1 438.505 4.268 50 0 IIAAMM O=C(Cc1sc(NNc2ccccc2)nc1[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000009778224 569567232 /nfs/dbraw/zinc/56/72/32/569567232.db2.gz HSMVOBUQBSIAJW-HXUWFJFHSA-N -1 1 432.505 4.422 50 0 IIAAMM O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc([O-])cc1 ZINC000009847591 569571215 /nfs/dbraw/zinc/57/12/15/569571215.db2.gz BZUQJNUVEJLXPA-UHFFFAOYSA-N -1 1 431.473 4.344 50 0 IIAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009900141 569573091 /nfs/dbraw/zinc/57/30/91/569573091.db2.gz ZVLIRDYQCZOZEN-UHFFFAOYSA-N -1 1 449.507 4.306 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)cc1 ZINC000003312367 132263743 /nfs/dbraw/zinc/26/37/43/132263743.db2.gz WVGMRNTVYBNNPU-UHFFFAOYSA-N -1 1 436.533 4.479 50 0 IIAAMM CC(C)CCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012734403 519647955 /nfs/dbraw/zinc/64/79/55/519647955.db2.gz JNEBFNHHNOPADK-KRWDZBQOSA-N -1 1 446.569 4.203 50 0 IIAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000012746784 520805634 /nfs/dbraw/zinc/80/56/34/520805634.db2.gz LQEMJZLDPYPEMR-UHFFFAOYSA-N -1 1 448.488 4.287 50 0 IIAAMM CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)ccc2O3)cc1OC ZINC000020901843 520822501 /nfs/dbraw/zinc/82/25/01/520822501.db2.gz GVQMQNNMEJIMQF-UHFFFAOYSA-N -1 1 429.270 4.303 50 0 IIAAMM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1Cl ZINC000016426567 521891216 /nfs/dbraw/zinc/89/12/16/521891216.db2.gz GZXFFBDVPYFMED-UHFFFAOYSA-N -1 1 444.896 4.180 50 0 IIAAMM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc3c(s2)-c2ccccc2CC3)C1=O ZINC000012914773 523630642 /nfs/dbraw/zinc/63/06/42/523630642.db2.gz OMXLWAOTYSGMHY-XMMPIXPASA-N -1 1 431.517 4.016 50 0 IIAAMM CCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(C)cc2)n1 ZINC000012464247 523741378 /nfs/dbraw/zinc/74/13/78/523741378.db2.gz UGNRKTLINASMRL-SFHVURJKSA-N -1 1 438.578 4.172 50 0 IIAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000012875169 524114540 /nfs/dbraw/zinc/11/45/40/524114540.db2.gz ZFQPWXZBMUVMHQ-UHFFFAOYSA-N -1 1 435.553 4.380 50 0 IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccco3)c2)c1 ZINC000012508302 524194611 /nfs/dbraw/zinc/19/46/11/524194611.db2.gz NEDJKXASPLYZIL-UHFFFAOYSA-N -1 1 444.578 4.360 50 0 IIAAMM COc1ccccc1N1CCN(Cc2cc(Br)c([O-])c3ncccc23)CC1 ZINC000022239173 524557690 /nfs/dbraw/zinc/55/76/90/524557690.db2.gz HDIRLWYGQMZPSK-UHFFFAOYSA-N -1 1 428.330 4.034 50 0 aggregator IIAAMM COc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(C)=O ZINC000035684007 524807661 /nfs/dbraw/zinc/80/76/61/524807661.db2.gz HPFQCFDZACCCLC-HSZRJFAPSA-N -1 1 449.532 4.194 50 0 IIAAMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCCO1 ZINC000012521281 525231189 /nfs/dbraw/zinc/23/11/89/525231189.db2.gz LVNYDODRFFSJPE-SGTLLEGYSA-N -1 1 443.352 4.092 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCc3sccc3C2)c1 ZINC000012216739 525272758 /nfs/dbraw/zinc/27/27/58/525272758.db2.gz WPDYXWQDRDGFSU-UHFFFAOYSA-N -1 1 426.563 4.364 50 0 IIAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000012541228 525787810 /nfs/dbraw/zinc/78/78/10/525787810.db2.gz FZOPMCXGMATKGU-KRWDZBQOSA-N -1 1 432.553 4.369 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000000674138 555532777 /nfs/dbraw/zinc/53/27/77/555532777.db2.gz FCCOUWVCLZCTBR-UHFFFAOYSA-N -1 1 430.551 4.213 50 0 IIAAMM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001129083 555643110 /nfs/dbraw/zinc/64/31/10/555643110.db2.gz LMRMQYXMVXLSKA-FQEVSTJZSA-N -1 1 430.913 4.467 50 0 IIAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)cc2Br ZINC000001208699 555681659 /nfs/dbraw/zinc/68/16/59/555681659.db2.gz ZWPFPVOXIQFMKG-UHFFFAOYSA-N -1 1 438.299 4.481 50 0 IIAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569606 556299804 /nfs/dbraw/zinc/29/98/04/556299804.db2.gz JGJVLRBNFRGUMZ-KRWDZBQOSA-N -1 1 429.542 4.065 50 0 IIAAMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(-c4nc5ccccc5s4)c3)cc2oc1=O ZINC000032754927 556324333 /nfs/dbraw/zinc/32/43/33/556324333.db2.gz BJYCGHBCZSDDJE-UHFFFAOYSA-N -1 1 437.502 4.209 50 0 IIAAMM O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014095843 556367572 /nfs/dbraw/zinc/36/75/72/556367572.db2.gz LBCNKLHIBSESOB-UHFFFAOYSA-N -1 1 442.468 4.040 50 0 IIAAMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)sc1C ZINC000032858268 556434894 /nfs/dbraw/zinc/43/48/94/556434894.db2.gz HHMVLKFDPLQFKF-UHFFFAOYSA-N -1 1 444.534 4.189 50 0 IIAAMM COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@@H](C)C1 ZINC000032971137 556589109 /nfs/dbraw/zinc/58/91/09/556589109.db2.gz RUMGFQZNIMJRIO-CYBMUJFWSA-N -1 1 438.933 4.084 50 0 IIAAMM O=C(CSCc1ccccc1)Nn1c(=S)[n-]c2sc3c(c2c1=O)CCCCC3 ZINC000017097681 556662062 /nfs/dbraw/zinc/66/20/62/556662062.db2.gz LGCPKTHGQVJPOP-UHFFFAOYSA-N -1 1 431.608 4.393 50 0 IIAAMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000071949427 556688980 /nfs/dbraw/zinc/68/89/80/556688980.db2.gz WWXNADLOQOJIMH-UHFFFAOYSA-N -1 1 428.168 4.026 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)c2)cc1 ZINC000010657438 556775573 /nfs/dbraw/zinc/77/55/73/556775573.db2.gz RHZXZUJRFARLDE-MRXNPFEDSA-N -1 1 438.505 4.016 50 0 IIAAMM CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1 ZINC000033138477 556869846 /nfs/dbraw/zinc/86/98/46/556869846.db2.gz BPIWYSMOQYDZRF-UHFFFAOYSA-N -1 1 441.578 4.400 50 0 IIAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1 ZINC000033170995 556881787 /nfs/dbraw/zinc/88/17/87/556881787.db2.gz XDZPYCPUVHFRQK-KAMYIIQDSA-N -1 1 425.510 4.475 50 0 IIAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1 ZINC000033173472 556883343 /nfs/dbraw/zinc/88/33/43/556883343.db2.gz JXZOHMQUFNQIEL-UHFFFAOYSA-N -1 1 440.399 4.256 50 0 IIAAMM Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000046027390 557023413 /nfs/dbraw/zinc/02/34/13/557023413.db2.gz UUIPSTQOJKXOAN-UHFFFAOYSA-N -1 1 443.956 4.089 50 0 IIAAMM Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000033269671 557047058 /nfs/dbraw/zinc/04/70/58/557047058.db2.gz IQWCFXFAKUPLOJ-UHFFFAOYSA-N -1 1 434.315 4.486 50 0 IIAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCCC(C)C)C2)nc3=O)cc1 ZINC000049421250 557107802 /nfs/dbraw/zinc/10/78/02/557107802.db2.gz JWNVGFVPEIJASZ-SFHVURJKSA-N -1 1 438.597 4.339 50 0 IIAAMM CC1CCN(C(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)CC1 ZINC000049421361 557108057 /nfs/dbraw/zinc/10/80/57/557108057.db2.gz XIOHMHQNJSCPAE-SFHVURJKSA-N -1 1 436.581 4.127 50 0 IIAAMM COc1cc(OC)c(NC(=O)CCn2c(-c3ccc(F)cc3)n[n-]c2=S)cc1Cl ZINC000011602059 557207672 /nfs/dbraw/zinc/20/76/72/557207672.db2.gz BPDYOOLBMMISNA-UHFFFAOYSA-N -1 1 436.896 4.446 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018096296 557236764 /nfs/dbraw/zinc/23/67/64/557236764.db2.gz PUCZXUVHKHVZFL-VXNXHJTFSA-N -1 1 444.487 4.063 50 0 IIAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101629061 557291817 /nfs/dbraw/zinc/29/18/17/557291817.db2.gz YSZSCEWZAULDHA-SFTDATJTSA-N -1 1 440.565 4.088 50 0 IIAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C ZINC000102288650 557317434 /nfs/dbraw/zinc/31/74/34/557317434.db2.gz FVGQPNPUCKBQKG-WOJBJXKFSA-N -1 1 440.565 4.033 50 0 IIAAMM NN=c1nc(OC(C(F)(F)F)C(F)(F)F)[n-]c(N(c2ccccc2)c2ccccc2)n1 ZINC000000850708 557830882 /nfs/dbraw/zinc/83/08/82/557830882.db2.gz WXJDWOSJHJBREU-UHFFFAOYSA-N -1 1 444.339 4.499 50 0 IIAAMM COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)c(Cl)c([O-])c1C(=O)OC ZINC000014618675 563014627 /nfs/dbraw/zinc/01/46/27/563014627.db2.gz UWTOESDPWKUNBD-UHFFFAOYSA-N -1 1 431.224 4.087 50 0 biogenic,in-vitro IIAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)ccc1Br ZINC000015730463 568814162 /nfs/dbraw/zinc/81/41/62/568814162.db2.gz XVVOMPJXFVSLKR-LLVKDONJSA-N -1 1 441.372 4.381 50 0 IIAAMM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc2S1 ZINC000015730557 568814193 /nfs/dbraw/zinc/81/41/93/568814193.db2.gz PFPXIICVRYNWFX-SNVBAGLBSA-N -1 1 427.345 4.073 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccnn3C(C)C)CC(=O)O4)c2=O)cc1 ZINC000085878450 568838797 /nfs/dbraw/zinc/83/87/97/568838797.db2.gz MBKIFUBFTJSHFS-MRXNPFEDSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccnn2C(C)C)cc1 ZINC000085878450 568838798 /nfs/dbraw/zinc/83/87/98/568838798.db2.gz MBKIFUBFTJSHFS-MRXNPFEDSA-N -1 1 446.459 4.393 50 0 biogenic IIAAMM O=C(COc1ccc(Cl)cc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147110 568846286 /nfs/dbraw/zinc/84/62/86/568846286.db2.gz QQVDINOUFOHKSA-UHFFFAOYSA-N -1 1 434.876 4.297 50 0 IIAAMM Cn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015870670 568852266 /nfs/dbraw/zinc/85/22/66/568852266.db2.gz WELOTRRCPRFFCM-UHFFFAOYSA-N -1 1 427.476 4.438 50 0 IIAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)C(c2ccccc2)c2ccccc2)[n-]c1=O ZINC000015881343 568855195 /nfs/dbraw/zinc/85/51/95/568855195.db2.gz HSVGKVDQKCHUGM-UHFFFAOYSA-N -1 1 427.508 4.318 50 0 IIAAMM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016099552 568870590 /nfs/dbraw/zinc/87/05/90/568870590.db2.gz BHUVNOTUBPLLJV-UHFFFAOYSA-N -1 1 427.322 4.296 50 0 IIAAMM Cn1cc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000227175569 568885691 /nfs/dbraw/zinc/88/56/91/568885691.db2.gz RRBVUHXIOGVLOB-QVKFZJNVSA-N -1 1 449.532 4.492 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc(OC)c1OC ZINC000064837515 568969228 /nfs/dbraw/zinc/96/92/28/568969228.db2.gz RZSFEAOSODSMKZ-UHFFFAOYSA-N -1 1 432.498 4.093 50 0 IIAAMM CCCCN(C)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000064843620 568971527 /nfs/dbraw/zinc/97/15/27/568971527.db2.gz QCXSOKSOPPPEIN-UHFFFAOYSA-N -1 1 432.329 4.124 50 0 IIAAMM C[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000064843861 568971853 /nfs/dbraw/zinc/97/18/53/568971853.db2.gz GDGPMCSBRKVOKK-LLVKDONJSA-N -1 1 444.340 4.124 50 0 IIAAMM CCCCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000064843962 568971879 /nfs/dbraw/zinc/97/18/79/568971879.db2.gz LVLPOUICIQSRQZ-UHFFFAOYSA-N -1 1 433.574 4.406 50 0 IIAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000064947311 568995097 /nfs/dbraw/zinc/99/50/97/568995097.db2.gz FRDNXZHANRQWHA-UHFFFAOYSA-N -1 1 439.896 4.100 50 0 IIAAMM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc21 ZINC000064952219 568996667 /nfs/dbraw/zinc/99/66/67/568996667.db2.gz RIDKDEYZPNMKMP-UHFFFAOYSA-N -1 1 441.372 4.099 50 0 IIAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000065059725 569096213 /nfs/dbraw/zinc/09/62/13/569096213.db2.gz LCMQROCUYVZYGV-INIZCTEOSA-N -1 1 425.510 4.203 50 0 IIAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000065609987 569140140 /nfs/dbraw/zinc/14/01/40/569140140.db2.gz JAJHXJBGYCOXNV-SNVBAGLBSA-N -1 1 435.286 4.006 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1 ZINC000089639161 569160263 /nfs/dbraw/zinc/16/02/63/569160263.db2.gz WBVLOWICTGYUET-UHFFFAOYSA-N -1 1 430.551 4.213 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000016890494 569165428 /nfs/dbraw/zinc/16/54/28/569165428.db2.gz ZTZCGBPWUVCUQR-UHFFFAOYSA-N -1 1 449.532 4.039 50 0 IIAAMM CCC[C@H](Oc1ccc(Br)cc1)C(=O)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002970284 569212913 /nfs/dbraw/zinc/21/29/13/569212913.db2.gz GWQSNMYENQEGGH-INIZCTEOSA-N -1 1 448.342 4.139 50 0 IIAAMM O=S(=O)([N-]c1ccccc1Cc1nc(-c2cccs2)no1)c1ccc2c(c1)CCO2 ZINC000096358491 569397473 /nfs/dbraw/zinc/39/74/73/569397473.db2.gz SASQAQHSVUOQNJ-UHFFFAOYSA-N -1 1 439.518 4.125 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000002647140 569414352 /nfs/dbraw/zinc/41/43/52/569414352.db2.gz INPYMJFLVYMDFL-UHFFFAOYSA-N -1 1 444.940 4.470 50 0 IIAAMM CCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC000003269949 569443502 /nfs/dbraw/zinc/44/35/02/569443502.db2.gz MVRIBOMCYOPBQM-UHFFFAOYSA-N -1 1 436.946 4.115 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccccc3)cc2NC(=O)CCSc2ccccc2)n1 ZINC000038740510 569468648 /nfs/dbraw/zinc/46/86/48/569468648.db2.gz PJFWTLXRJUXNEY-UHFFFAOYSA-N -1 1 431.521 4.464 50 0 IIAAMM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc2C1=O ZINC000008961125 569491024 /nfs/dbraw/zinc/49/10/24/569491024.db2.gz OBXIAZHNSSRRDJ-UHFFFAOYSA-N -1 1 442.468 4.408 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)cc1OC ZINC000009403955 569529575 /nfs/dbraw/zinc/52/95/75/569529575.db2.gz OBEWGXYFXQPJHU-UHFFFAOYSA-N -1 1 427.507 4.176 50 0 IIAAMM CC(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC000009467644 569538449 /nfs/dbraw/zinc/53/84/49/569538449.db2.gz OLVXQQRWAXHKNU-UHFFFAOYSA-N -1 1 437.521 4.315 50 0 IIAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1)[nH]c1c2C(=O)CCC1 ZINC000009685865 569560702 /nfs/dbraw/zinc/56/07/02/569560702.db2.gz IMTAKYIZBZEMKH-UHFFFAOYSA-N -1 1 428.510 4.067 50 0 IIAAMM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009714972 569562907 /nfs/dbraw/zinc/56/29/07/569562907.db2.gz DMCJBDOZHWMAHR-UHFFFAOYSA-N -1 1 430.869 4.122 50 0 IIAAMM O=C(NCc1ccccn1)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000009836795 569570772 /nfs/dbraw/zinc/57/07/72/569570772.db2.gz PHNBRMPLUFDOKG-UHFFFAOYSA-N -1 1 443.528 4.479 50 0 IIAAMM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1Cl ZINC000009903609 569573068 /nfs/dbraw/zinc/57/30/68/569573068.db2.gz OOEKUGSHPLPNHQ-UHFFFAOYSA-N -1 1 430.913 4.467 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000009931550 569573668 /nfs/dbraw/zinc/57/36/68/569573668.db2.gz RSQKFLRMOYXFMU-MRXNPFEDSA-N -1 1 426.460 4.210 50 0 IIAAMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000641809 193867828 /nfs/dbraw/zinc/86/78/28/193867828.db2.gz GOVVKWKRODIJJF-UHFFFAOYSA-N -1 1 428.078 4.399 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1F ZINC000008609816 132288132 /nfs/dbraw/zinc/28/81/32/132288132.db2.gz XSINGSXOBPLZQX-UHFFFAOYSA-N -1 1 442.516 4.082 50 0 IIAAMM CCCCNC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000012252461 520625980 /nfs/dbraw/zinc/62/59/80/520625980.db2.gz TZGHRKKZNWEQCT-UHFFFAOYSA-N -1 1 443.594 4.226 50 0 IIAAMM Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012536105 525247366 /nfs/dbraw/zinc/24/73/66/525247366.db2.gz XYDYEUQEWNFHCC-UHFFFAOYSA-N -1 1 446.326 4.206 50 0 IIAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 ZINC000008609827 534876555 /nfs/dbraw/zinc/87/65/55/534876555.db2.gz ZPWLTWGUTNPGCV-UHFFFAOYSA-N -1 1 436.537 4.137 50 0 IIAAMM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000012464394 525987261 /nfs/dbraw/zinc/98/72/61/525987261.db2.gz BMKDYTGZBSBRMW-GOSISDBHSA-N -1 1 438.578 4.227 50 0 IIAAMM Cc1ccc2c(C)nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[n-]3)nc2c1 ZINC000015987821 526121148 /nfs/dbraw/zinc/12/11/48/526121148.db2.gz XWWORBHMPHQORH-UHFFFAOYSA-N -1 1 429.509 4.242 50 0 IIAAMM O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 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CCC(CC)c1nnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000023055016 556988738 /nfs/dbraw/zinc/98/87/38/556988738.db2.gz HCQIVYJMMPNQFP-UHFFFAOYSA-N -1 1 430.555 4.495 50 0 IIAAMM CC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020310927 557007339 /nfs/dbraw/zinc/00/73/39/557007339.db2.gz OWERWOKTDAWKNC-UHFFFAOYSA-N -1 1 425.535 4.499 50 0 IIAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)c1 ZINC000046075610 557032538 /nfs/dbraw/zinc/03/25/38/557032538.db2.gz JOIOBJCNDOGCDV-GOSISDBHSA-N -1 1 448.548 4.052 50 0 IIAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(SC(F)(F)F)cc1 ZINC000017360649 557069978 /nfs/dbraw/zinc/06/99/78/557069978.db2.gz TVFOUXJIHRSFCB-UHFFFAOYSA-N -1 1 446.472 4.041 50 0 IIAAMM CCCc1ccc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 ZINC000024371208 557189457 /nfs/dbraw/zinc/18/94/57/557189457.db2.gz NLABOQUPYUOCIV-UHFFFAOYSA-N -1 1 438.336 4.293 50 0 IIAAMM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 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O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1ccc(Cl)o1 ZINC000013000714 568898718 /nfs/dbraw/zinc/89/87/18/568898718.db2.gz HSTQFAUBWHCUOL-UHFFFAOYSA-N -1 1 427.265 4.345 50 0 IIAAMM CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1 ZINC000064843714 568971810 /nfs/dbraw/zinc/97/18/10/568971810.db2.gz WEYFQRVNGTXUKI-UHFFFAOYSA-N -1 1 431.558 4.015 50 0 IIAAMM CCc1nc(-c2cccc(-c3noc(C[N-]S(=O)(=O)c4ccc(F)cc4)n3)c2)cs1 ZINC000065098185 569104648 /nfs/dbraw/zinc/10/46/48/569104648.db2.gz VDGUYZHFXMNLJH-UHFFFAOYSA-N -1 1 444.513 4.040 50 0 IIAAMM COC(=O)COc1cc(-c2ccccc2)nc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000065114707 569106562 /nfs/dbraw/zinc/10/65/62/569106562.db2.gz MBTHQIIUIAONLN-UHFFFAOYSA-N -1 1 448.500 4.254 50 0 IIAAMM CC(C)n1nccc1[C@H](CC(=O)[O-])c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1O ZINC000524733182 569127105 /nfs/dbraw/zinc/12/71/05/569127105.db2.gz CJMUFSQSXYFIEQ-INIZCTEOSA-N -1 1 428.872 4.366 50 0 IIAAMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000089646993 569160550 /nfs/dbraw/zinc/16/05/50/569160550.db2.gz IVXVSVOTVBXICZ-UHFFFAOYSA-N -1 1 444.578 4.124 50 0 IIAAMM CCOC(=O)[C@@]([N-]c1ccccc1OC)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002306090 569271708 /nfs/dbraw/zinc/27/17/08/569271708.db2.gz GBJFPNHQWALXFX-GOSISDBHSA-N -1 1 430.810 4.012 50 0 IIAAMM Cc1ccc(-c2nc(-c3ccccc3)[n-]c2S(=O)(=O)CC(=O)Nc2ccccc2)cc1 ZINC000020328844 569360855 /nfs/dbraw/zinc/36/08/55/569360855.db2.gz BLNMWUAAICOQFC-UHFFFAOYSA-N -1 1 431.517 4.465 50 0 IIAAMM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000002476467 569404524 /nfs/dbraw/zinc/40/45/24/569404524.db2.gz XMFYDWSLUNZBIP-UHFFFAOYSA-N -1 1 439.489 4.498 50 0 IIAAMM COC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067294302 569467881 /nfs/dbraw/zinc/46/78/81/569467881.db2.gz VYAGSGSKAAJILF-RWEWTDSWSA-N -1 1 429.432 4.113 50 0 IIAAMM COC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297885 569468048 /nfs/dbraw/zinc/46/80/48/569468048.db2.gz GHEJRKGWYNPSOS-RWEWTDSWSA-N -1 1 429.432 4.113 50 0 IIAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067298736 569468050 /nfs/dbraw/zinc/46/80/50/569468050.db2.gz LKMZNPWXGLEMEB-IDICYNCBSA-N -1 1 448.397 4.178 50 0 IIAAMM Cc1noc(C)c1CCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000008720260 569471566 /nfs/dbraw/zinc/47/15/66/569471566.db2.gz DELUGJPTCKLAKE-UHFFFAOYSA-N -1 1 427.526 4.280 50 0 IIAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC(F)(F)F ZINC000040287337 569498217 /nfs/dbraw/zinc/49/82/17/569498217.db2.gz WETWDLADELAXJG-GOSISDBHSA-N -1 1 446.385 4.186 50 0 IIAAMM O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)c1 ZINC000040312865 569498951 /nfs/dbraw/zinc/49/89/51/569498951.db2.gz SESSQKLHUSCRIH-SFHVURJKSA-N -1 1 441.285 4.050 50 0 biogenic IIAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168315 569509147 /nfs/dbraw/zinc/50/91/47/569509147.db2.gz SQRAAYHMTDESQR-UHFFFAOYSA-N -1 1 434.533 4.343 50 0 IIAAMM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009462142 569537247 /nfs/dbraw/zinc/53/72/47/569537247.db2.gz ASHHBAXMTLWPJO-UHFFFAOYSA-N -1 1 432.567 4.061 50 0 IIAAMM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)nc2n1 ZINC000009572191 569547745 /nfs/dbraw/zinc/54/77/45/569547745.db2.gz VTVAJFUODCNJBJ-UHFFFAOYSA-N -1 1 443.326 4.268 50 0 IIAAMM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009715092 569563005 /nfs/dbraw/zinc/56/30/05/569563005.db2.gz WRPXZMURPMITMU-UHFFFAOYSA-N -1 1 425.897 4.148 50 0 IIAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000021915734 523177199 /nfs/dbraw/zinc/17/71/99/523177199.db2.gz KIYULNMIQSIVBQ-UHFFFAOYSA-N -1 1 449.536 4.164 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)cc1 ZINC000012556970 524695639 /nfs/dbraw/zinc/69/56/39/524695639.db2.gz OZSWJIMMWVPKEA-UHFFFAOYSA-N -1 1 448.447 4.350 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@@H]3C)c2)cc1 ZINC000012561153 524696029 /nfs/dbraw/zinc/69/60/29/524696029.db2.gz IYHZNBYBPWEXBA-HNNXBMFYSA-N -1 1 442.562 4.317 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCc2nc3ccccc3[nH]2)cc1OC ZINC000021357222 525090410 /nfs/dbraw/zinc/09/04/10/525090410.db2.gz FTWOOVMCEZQYSZ-UHFFFAOYSA-N -1 1 437.521 4.166 50 0 IIAAMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccncc1 ZINC000012548452 525220314 /nfs/dbraw/zinc/22/03/14/525220314.db2.gz RRDVOUWVJSAENI-AWEZNQCLSA-N -1 1 449.454 4.392 50 0 IIAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C ZINC000021807026 525447318 /nfs/dbraw/zinc/44/73/18/525447318.db2.gz MQYALEVKVXZNTB-UHFFFAOYSA-N -1 1 442.306 4.188 50 0 IIAAMM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4cccc(Cl)c4)c3)cn2n1 ZINC000012441349 525655453 /nfs/dbraw/zinc/65/54/53/525655453.db2.gz JYINRYNLOFCDIF-UHFFFAOYSA-N -1 1 428.901 4.168 50 0 IIAAMM COc1ccc2nc(-c3cccc([N-]S(=O)(=O)c4ccc5ccccc5c4)c3)cn2n1 ZINC000012441310 525656538 /nfs/dbraw/zinc/65/65/38/525656538.db2.gz KBCLXIZUNLTUKL-UHFFFAOYSA-N -1 1 430.489 4.359 50 0 IIAAMM CSc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000012507826 525986024 /nfs/dbraw/zinc/98/60/24/525986024.db2.gz ITUCIDUYISJHPS-UHFFFAOYSA-N -1 1 426.563 4.482 50 0 IIAAMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3[O-])nc2c1 ZINC000000977638 555592660 /nfs/dbraw/zinc/59/26/60/555592660.db2.gz RASYJMUKTNOFPD-UHFFFAOYSA-N -1 1 433.489 4.401 50 0 IIAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)c1ccc(Br)o1 ZINC000000990973 555596311 /nfs/dbraw/zinc/59/63/11/555596311.db2.gz HQFXOWXGBYCOCC-UHFFFAOYSA-N -1 1 439.262 4.234 50 0 IIAAMM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000001061996 555616673 /nfs/dbraw/zinc/61/66/73/555616673.db2.gz ULVQBYPXOXDMGE-UHFFFAOYSA-N -1 1 438.549 4.351 50 0 IIAAMM COC(=O)[C@]([N-]c1nc2c(cccc2C)s1)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000002050513 555728707 /nfs/dbraw/zinc/72/87/07/555728707.db2.gz SHWPMZAJZYYCCP-GOSISDBHSA-N -1 1 441.406 4.017 50 0 IIAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012974053 556419954 /nfs/dbraw/zinc/41/99/54/556419954.db2.gz NALILCLOJOXOHN-IBGZPJMESA-N -1 1 449.580 4.184 50 0 IIAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1 ZINC000033115533 556555482 /nfs/dbraw/zinc/55/54/82/556555482.db2.gz ZTQQCKKWJFUFNF-UHFFFAOYSA-N -1 1 442.581 4.224 50 0 IIAAMM O=C(NCCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000015869569 556560361 /nfs/dbraw/zinc/56/03/61/556560361.db2.gz WTKHWRCOJBCBME-UHFFFAOYSA-N -1 1 434.561 4.268 50 0 IIAAMM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2C)s1 ZINC000033007756 556656607 /nfs/dbraw/zinc/65/66/07/556656607.db2.gz WWWALMPRBFWVBE-UHFFFAOYSA-N -1 1 440.344 4.126 50 0 IIAAMM CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Br)c4ccccc43)C2=O)cc1 ZINC000000666594 556681987 /nfs/dbraw/zinc/68/19/87/556681987.db2.gz MKYSFDVPZLYKMZ-QGOAFFKASA-N -1 1 436.309 4.130 50 0 IIAAMM CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137628921 556697809 /nfs/dbraw/zinc/69/78/09/556697809.db2.gz NGTLWSVKRQPSLZ-RBZQAINGSA-N -1 1 428.488 4.445 50 0 IIAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000137914415 556699006 /nfs/dbraw/zinc/69/90/06/556699006.db2.gz DDTYIZYWMBBEOU-RBZQAINGSA-N -1 1 428.488 4.363 50 0 IIAAMM COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1 ZINC000033130334 556870392 /nfs/dbraw/zinc/87/03/92/556870392.db2.gz QJAIOJJPMSTDML-UHFFFAOYSA-N -1 1 438.549 4.229 50 0 IIAAMM O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)NCCCc1ccccc1 ZINC000023138295 557021262 /nfs/dbraw/zinc/02/12/62/557021262.db2.gz DCXRAXLVPMDNHR-UHFFFAOYSA-N -1 1 427.957 4.419 50 0 IIAAMM CC(=O)c1cccc(NC(=O)Cc2c(C)nc(SCc3cccc(Cl)c3)[n-]c2=O)c1 ZINC000023138589 557021624 /nfs/dbraw/zinc/02/16/24/557021624.db2.gz GNHJLUSRDUYSKG-UHFFFAOYSA-N -1 1 441.940 4.408 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc1 ZINC000032944030 557022736 /nfs/dbraw/zinc/02/27/36/557022736.db2.gz IOVMMUMOFCRLLX-CQSZACIVSA-N -1 1 432.567 4.123 50 0 IIAAMM CC(C)=C1c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2N(C)C1=O ZINC000046053926 557027394 /nfs/dbraw/zinc/02/73/94/557027394.db2.gz AFJIPFMIJLAMEW-UHFFFAOYSA-N -1 1 426.416 4.156 50 0 IIAAMM O=C(c1cc2ccccc2cc1[O-])N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000048289470 557054826 /nfs/dbraw/zinc/05/48/26/557054826.db2.gz LRPDMVUNTKLLDQ-UHFFFAOYSA-N -1 1 428.410 4.162 50 0 IIAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CCC3)cc2)c1 ZINC000033277484 557059225 /nfs/dbraw/zinc/05/92/25/557059225.db2.gz AUBHAKPPZJPZAV-UHFFFAOYSA-N -1 1 430.570 4.080 50 0 IIAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCCC(C)C)C2)nc3=O)cc1 ZINC000049421251 557107830 /nfs/dbraw/zinc/10/78/30/557107830.db2.gz JWNVGFVPEIJASZ-GOSISDBHSA-N -1 1 438.597 4.339 50 0 IIAAMM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(Br)cc1F ZINC000098072996 557233377 /nfs/dbraw/zinc/23/33/77/557233377.db2.gz NUBHZBPSXAFBEQ-UHFFFAOYSA-N -1 1 427.064 4.291 50 0 IIAAMM CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101197188 557263328 /nfs/dbraw/zinc/26/33/28/557263328.db2.gz NGTLWSVKRQPSLZ-VXNXHJTFSA-N -1 1 428.488 4.445 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)CC(C)C)nn2c1=O ZINC000101878538 557304583 /nfs/dbraw/zinc/30/45/83/557304583.db2.gz UEIOWZDKRSWRIK-UHFFFAOYSA-N -1 1 429.952 4.301 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)/C=C\c3cccc(F)c3)c2)cc1 ZINC000033398041 557326684 /nfs/dbraw/zinc/32/66/84/557326684.db2.gz QFSXBVPDHNGOJZ-JYRVWZFOSA-N -1 1 426.469 4.287 50 0 IIAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102728369 557370671 /nfs/dbraw/zinc/37/06/71/557370671.db2.gz ADWLDFXLYJEDMV-WXFUMESZSA-N -1 1 444.487 4.063 50 0 IIAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102757999 557384247 /nfs/dbraw/zinc/38/42/47/557384247.db2.gz BSHNXEWKJQWCMI-WXFUMESZSA-N -1 1 444.487 4.150 50 0 IIAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)NC(C)(C)C)cc1 ZINC000011695898 557393560 /nfs/dbraw/zinc/39/35/60/557393560.db2.gz LBHDIEGBUXHRRI-UHFFFAOYSA-N -1 1 443.594 4.225 50 0 IIAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000045900621 557546941 /nfs/dbraw/zinc/54/69/41/557546941.db2.gz OAKVAZOFSWUZNK-UHFFFAOYSA-N -1 1 437.565 4.296 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccc(C)cc4n3)ccc2C)cc1OC ZINC000008606675 562957166 /nfs/dbraw/zinc/95/71/66/562957166.db2.gz VJGSNLOPZZSCQA-UHFFFAOYSA-N -1 1 437.521 4.436 50 0 IIAAMM O=C([O-])CCCN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000976091 568648057 /nfs/dbraw/zinc/64/80/57/568648057.db2.gz SAMQYNYDDCLWTA-LNYGYFNRSA-N -1 1 425.868 4.183 50 0 IIAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1C ZINC000001167884 568664838 /nfs/dbraw/zinc/66/48/38/568664838.db2.gz AJJYGUWXVCNJBC-UHFFFAOYSA-N -1 1 434.514 4.044 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)c2=O)cc1 ZINC000085875966 568838184 /nfs/dbraw/zinc/83/81/84/568838184.db2.gz BVNIHWLSCIATLW-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(O)cc2)cc1 ZINC000085875966 568838185 /nfs/dbraw/zinc/83/81/85/568838185.db2.gz BVNIHWLSCIATLW-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(-c4cc5cc(F)ccc5[nH]4)cc3)ccc21 ZINC000015864042 568849543 /nfs/dbraw/zinc/84/95/43/568849543.db2.gz CUDJCKVOCSPORY-UHFFFAOYSA-N -1 1 437.452 4.220 50 0 IIAAMM Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000015881839 568855769 /nfs/dbraw/zinc/85/57/69/568855769.db2.gz ZVDQMXUAPKHWGY-UHFFFAOYSA-N -1 1 438.530 4.390 50 0 IIAAMM CCOC(=O)C1=C(NC(=O)c2cccc(OC(F)F)c2)[N-]c2ccccc2N=C1CC ZINC000016035724 568867786 /nfs/dbraw/zinc/86/77/86/568867786.db2.gz CLMQUBGLWHVACU-UHFFFAOYSA-N -1 1 429.423 4.401 50 0 IIAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 ZINC000064610933 568940044 /nfs/dbraw/zinc/94/00/44/568940044.db2.gz LLPWDARUSHEQEU-UHFFFAOYSA-N -1 1 448.504 4.471 50 0 IIAAMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N(C)Cc2ccccc2)c(C)c1 ZINC000064843738 568971732 /nfs/dbraw/zinc/97/17/32/568971732.db2.gz JHDPMCDYWRTVKW-UHFFFAOYSA-N -1 1 439.537 4.142 50 0 IIAAMM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096115724 569383484 /nfs/dbraw/zinc/38/34/84/569383484.db2.gz CVTHPLCAULCDES-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115724 569383485 /nfs/dbraw/zinc/38/34/85/569383485.db2.gz CVTHPLCAULCDES-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3cccs3)on2)c(C(=O)OCC)c1C ZINC000002497907 569405691 /nfs/dbraw/zinc/40/56/91/569405691.db2.gz PZWBLDXUKSMEGD-UHFFFAOYSA-N -1 1 434.495 4.379 50 0 IIAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4ccccc4F)CC2)nc3=O)cc1 ZINC000067245898 569465966 /nfs/dbraw/zinc/46/59/66/569465966.db2.gz YFUBBKDYRZGWMD-UHFFFAOYSA-N -1 1 436.512 4.126 50 0 IIAAMM CCOC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298070 569468113 /nfs/dbraw/zinc/46/81/13/569468113.db2.gz VHQWAOLOBHLSLL-GFMRDNFCSA-N -1 1 435.461 4.256 50 0 IIAAMM CCCCC(=O)N[C@@]([N-]c1nc2c(ccc(C)c2C)s1)(C(=O)OCC)C(F)(F)F ZINC000008974798 569492928 /nfs/dbraw/zinc/49/29/28/569492928.db2.gz OAKUDGNVXGYCEJ-GOSISDBHSA-N -1 1 431.480 4.453 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)ccc1F ZINC000008977302 569493069 /nfs/dbraw/zinc/49/30/69/569493069.db2.gz BEXCAQYJSUTIMW-UHFFFAOYSA-N -1 1 430.526 4.195 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cc1 ZINC000009130262 569505972 /nfs/dbraw/zinc/50/59/72/569505972.db2.gz UPMHJAOGYOQSJY-UHFFFAOYSA-N -1 1 444.940 4.122 50 0 IIAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009166541 569508950 /nfs/dbraw/zinc/50/89/50/569508950.db2.gz BLDDSEXANQMADB-UHFFFAOYSA-N -1 1 446.569 4.294 50 0 IIAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000009168036 569509122 /nfs/dbraw/zinc/50/91/22/569509122.db2.gz URZCLRBMSGGNIG-UHFFFAOYSA-N -1 1 430.570 4.457 50 0 IIAAMM CCOc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000009335493 569523350 /nfs/dbraw/zinc/52/33/50/569523350.db2.gz VZCLQESISCHCJR-UHFFFAOYSA-N -1 1 432.448 4.417 50 0 IIAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3)cc2)ccc1F ZINC000009492520 569540592 /nfs/dbraw/zinc/54/05/92/569540592.db2.gz FDQHGOKBSBRDDR-UHFFFAOYSA-N -1 1 426.513 4.298 50 0 IIAAMM CCc1ccc(OCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)cc1 ZINC000009640823 569555440 /nfs/dbraw/zinc/55/54/40/569555440.db2.gz XIXIMYHHNSDSLZ-UHFFFAOYSA-N -1 1 426.929 4.472 50 0 IIAAMM CCc1ccccc1OCCSc1nc(-c2ccccc2Cl)nc2cc(=O)[n-]n21 ZINC000009640825 569555453 /nfs/dbraw/zinc/55/54/53/569555453.db2.gz YUSDMKIWQAADIH-UHFFFAOYSA-N -1 1 426.929 4.472 50 0 IIAAMM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)s2)on1 ZINC000009688870 569560881 /nfs/dbraw/zinc/56/08/81/569560881.db2.gz GBVRYABVJBUJSY-UHFFFAOYSA-N -1 1 426.903 4.342 50 0 IIAAMM COc1cccc2sc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)nc21 ZINC000009714725 569562850 /nfs/dbraw/zinc/56/28/50/569562850.db2.gz IFJWUVRRNMRIIR-UHFFFAOYSA-N -1 1 439.518 4.358 50 0 IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000009715491 569563102 /nfs/dbraw/zinc/56/31/02/569563102.db2.gz PKZKAMCNECBWSN-UHFFFAOYSA-N -1 1 449.532 4.175 50 0 IIAAMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccccc1Br ZINC000009944296 569574072 /nfs/dbraw/zinc/57/40/72/569574072.db2.gz MLKCBOFVPVJAJT-OQLLNIDSSA-N -1 1 434.267 4.001 50 0 IIAAMM Cc1[n-]n(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc(Br)cc3)c(=O)c1-2 ZINC000010166810 569578332 /nfs/dbraw/zinc/57/83/32/569578332.db2.gz FMXIGGCTMBMDQO-UHFFFAOYSA-N -1 1 437.297 4.345 50 0 IIAAMM Cn1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)ccc1=O ZINC000010324788 569580987 /nfs/dbraw/zinc/58/09/87/569580987.db2.gz YRJFNMMIFSSYDM-UHFFFAOYSA-N -1 1 433.489 4.040 50 0 IIAAMM Cc1ccc(Cl)cc1N1CCN(CCCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000004113209 132269999 /nfs/dbraw/zinc/26/99/99/132269999.db2.gz VADWMRGMHGNSDY-UHFFFAOYSA-N -1 1 428.989 4.233 50 0 IIAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000012126190 519831106 /nfs/dbraw/zinc/83/11/06/519831106.db2.gz NSVNZLCSUNWQPP-UHFFFAOYSA-N -1 1 431.418 4.228 50 0 IIAAMM CCOc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1OC ZINC000012548455 521117688 /nfs/dbraw/zinc/11/76/88/521117688.db2.gz VOSXHOBPEKFJCE-UHFFFAOYSA-N -1 1 426.494 4.147 50 0 IIAAMM C[C@H](CCc1ccco1)NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000012893196 524255768 /nfs/dbraw/zinc/25/57/68/524255768.db2.gz JSLOZLIEIVYOTJ-MRXNPFEDSA-N -1 1 433.460 4.275 50 0 biogenic IIAAMM C[C@H](CCc1ccco1)NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000012893196 524255776 /nfs/dbraw/zinc/25/57/76/524255776.db2.gz JSLOZLIEIVYOTJ-MRXNPFEDSA-N -1 1 433.460 4.275 50 0 biogenic IIAAMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1Cl ZINC000012630486 525244733 /nfs/dbraw/zinc/24/47/33/525244733.db2.gz HFRUFMAHTARMFQ-UHFFFAOYSA-N -1 1 444.896 4.430 50 0 IIAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000021151883 527058509 /nfs/dbraw/zinc/05/85/09/527058509.db2.gz HESMDLCBTNVGIG-UHFFFAOYSA-N -1 1 444.538 4.375 50 0 IIAAMM COc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000000667634 555529575 /nfs/dbraw/zinc/52/95/75/555529575.db2.gz VYMWSDWPDSBBLI-UHFFFAOYSA-N -1 1 438.549 4.053 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000001065613 555618247 /nfs/dbraw/zinc/61/82/47/555618247.db2.gz GHLIDTMUNJOXLF-UHFFFAOYSA-N -1 1 438.505 4.096 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000001161526 555661977 /nfs/dbraw/zinc/66/19/77/555661977.db2.gz MLWQMAWIMAXSFI-UHFFFAOYSA-N -1 1 430.551 4.213 50 0 IIAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)n1 ZINC000006143672 556077751 /nfs/dbraw/zinc/07/77/51/556077751.db2.gz FISVOBBLXAYLPE-UHFFFAOYSA-N -1 1 441.365 4.163 50 0 IIAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)cc1OC ZINC000008986378 556238331 /nfs/dbraw/zinc/23/83/31/556238331.db2.gz FLCMSIBUTPDBOT-LCUIJRPUSA-N -1 1 431.448 4.344 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1F ZINC000032593985 556407504 /nfs/dbraw/zinc/40/75/04/556407504.db2.gz MKXCQJOUMUNZKI-UHFFFAOYSA-N -1 1 425.441 4.352 50 0 IIAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012974051 556419905 /nfs/dbraw/zinc/41/99/05/556419905.db2.gz NALILCLOJOXOHN-LJQANCHMSA-N -1 1 449.580 4.184 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC000072307500 556562557 /nfs/dbraw/zinc/56/25/57/556562557.db2.gz WWKKYUVAEJJJHQ-KRWDZBQOSA-N -1 1 429.489 4.441 50 0 IIAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cc3ccccc3o2)[n-]c(=O)c1C ZINC000011854989 556662152 /nfs/dbraw/zinc/66/21/52/556662152.db2.gz YEBYBPNQXCSWPH-UHFFFAOYSA-N -1 1 431.477 4.299 50 0 IIAAMM O=C(CN1C(=O)C(=C2SC(=S)[N-]C2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000017161463 556670705 /nfs/dbraw/zinc/67/07/05/556670705.db2.gz HULPZOKWDANLBU-NXVVXOECSA-N -1 1 429.910 4.025 50 0 IIAAMM Cc1nc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC000057993028 556751121 /nfs/dbraw/zinc/75/11/21/556751121.db2.gz FEBHISDLKBDPEU-UHFFFAOYSA-N -1 1 429.567 4.141 50 0 IIAAMM Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000010656866 556755575 /nfs/dbraw/zinc/75/55/75/556755575.db2.gz TYTSMSAQEARZTQ-UHFFFAOYSA-N -1 1 425.535 4.353 50 0 IIAAMM CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000033138464 556869713 /nfs/dbraw/zinc/86/97/13/556869713.db2.gz SBPFHXFESMKWEH-UHFFFAOYSA-N -1 1 427.551 4.092 50 0 IIAAMM CC(=O)c1cccc(NC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)c1 ZINC000023138310 557021406 /nfs/dbraw/zinc/02/14/06/557021406.db2.gz JEOIHGBIRQRMMI-UHFFFAOYSA-N -1 1 427.913 4.099 50 0 IIAAMM COc1ccc(NC(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[n-]c2=O)c(OC)c1 ZINC000023138713 557022027 /nfs/dbraw/zinc/02/20/27/557022027.db2.gz MRUZNDBUZSINLX-HNNXBMFYSA-N -1 1 439.537 4.130 50 0 IIAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccc3)ccc2N1 ZINC000072079419 557027463 /nfs/dbraw/zinc/02/74/63/557027463.db2.gz OLUXPPWCJXYJLK-UHFFFAOYSA-N -1 1 435.427 4.182 50 0 IIAAMM CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000032948346 557056516 /nfs/dbraw/zinc/05/65/16/557056516.db2.gz HYPDSCGKIIADPR-UHFFFAOYSA-N -1 1 441.003 4.119 50 0 IIAAMM CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4C)ccc3n2C)cc1 ZINC000033276964 557057905 /nfs/dbraw/zinc/05/79/05/557057905.db2.gz KDYICCQGTXPOID-UHFFFAOYSA-N -1 1 448.548 4.099 50 0 IIAAMM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000023053363 557059866 /nfs/dbraw/zinc/05/98/66/557059866.db2.gz SJWURZPAHQQLAZ-UHFFFAOYSA-N -1 1 439.493 4.293 50 0 IIAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(S(=O)(=O)CCC)sc3c2)cc1 ZINC000033299013 557074908 /nfs/dbraw/zinc/07/49/08/557074908.db2.gz ASVPMYUKSNQIEZ-UHFFFAOYSA-N -1 1 438.596 4.233 50 0 IIAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000010898193 557076679 /nfs/dbraw/zinc/07/66/79/557076679.db2.gz IMOZNGOZVRULQG-UHFFFAOYSA-N -1 1 432.553 4.151 50 0 IIAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NCCC(C)C)C1)nc2=O ZINC000049421413 557108043 /nfs/dbraw/zinc/10/80/43/557108043.db2.gz PTNRZENNTMTQEY-KRWDZBQOSA-N -1 1 438.597 4.339 50 0 IIAAMM C[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)C1 ZINC000049421358 557108080 /nfs/dbraw/zinc/10/80/80/557108080.db2.gz GGCBXVWQDIRCSF-AEFFLSMTSA-N -1 1 436.581 4.127 50 0 IIAAMM C[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)C1 ZINC000049421357 557108101 /nfs/dbraw/zinc/10/81/01/557108101.db2.gz GGCBXVWQDIRCSF-FUHWJXTLSA-N -1 1 436.581 4.127 50 0 IIAAMM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000017886434 557127205 /nfs/dbraw/zinc/12/72/05/557127205.db2.gz QCAPIHXQUSPMAK-SMIHKQSGSA-N -1 1 444.487 4.063 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1cccs1 ZINC000100821746 557188309 /nfs/dbraw/zinc/18/83/09/557188309.db2.gz CDTJVVHHQNYUOW-MRXNPFEDSA-N -1 1 425.535 4.128 50 0 IIAAMM Cc1cnc([C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C2CC2)s1 ZINC000072297323 557219730 /nfs/dbraw/zinc/21/97/30/557219730.db2.gz HPXOSQVNECTDKA-IBGZPJMESA-N -1 1 445.541 4.273 50 0 IIAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000027163344 557258569 /nfs/dbraw/zinc/25/85/69/557258569.db2.gz JMBSAEPXPYGDLE-OAQYLSRUSA-N -1 1 443.475 4.138 50 0 IIAAMM COc1cc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)ccc1O ZINC000101494827 557288807 /nfs/dbraw/zinc/28/88/07/557288807.db2.gz GLAUUFVZRGEVJK-QGZVFWFLSA-N -1 1 441.534 4.221 50 0 IIAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000102288485 557317504 /nfs/dbraw/zinc/31/75/04/557317504.db2.gz YWYRWSCLJHONKO-KDURUIRLSA-N -1 1 446.956 4.124 50 0 IIAAMM O=C1[C@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1cc(C(F)(F)F)ccc1Cl ZINC000102896187 557405361 /nfs/dbraw/zinc/40/53/61/557405361.db2.gz XJTDVSXZTNHNDM-ZFWWWQNUSA-N -1 1 429.181 4.305 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2cccs2)n1C1CC1)c1nc(C)cs1 ZINC000103035011 557415985 /nfs/dbraw/zinc/41/59/85/557415985.db2.gz LEEPUOUFTGJQMR-OAHLLOKOSA-N -1 1 448.595 4.115 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000001042265 568654167 /nfs/dbraw/zinc/65/41/67/568654167.db2.gz WCMLLMXJBVPPBF-UHFFFAOYSA-N -1 1 426.338 4.483 50 0 IIAAMM CC(C)c1ccc(/C=C/C(=O)N=c2cc(-c3ccccc3)[n-]n2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000334158329 568750903 /nfs/dbraw/zinc/75/09/03/568750903.db2.gz HCCJQFXKPDRSNJ-POOCUNTESA-N -1 1 449.576 4.107 50 0 IIAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@H]3c1cccc(O)c1 ZINC000524729203 568903940 /nfs/dbraw/zinc/90/39/40/568903940.db2.gz IQGCBSHSYIAFDQ-INIZCTEOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc5c(c4)OCCO5)c3)n2)cc1 ZINC000064610918 568940041 /nfs/dbraw/zinc/94/00/41/568940041.db2.gz UEDNBNKYOMJWFJ-UHFFFAOYSA-N -1 1 449.488 4.284 50 0 IIAAMM CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1 ZINC000064843829 568971859 /nfs/dbraw/zinc/97/18/59/568971859.db2.gz QNUYMXXICMUNJA-MRXNPFEDSA-N -1 1 431.558 4.015 50 0 IIAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)c(OC)c1 ZINC000064979495 569077991 /nfs/dbraw/zinc/07/79/91/569077991.db2.gz JHBSQDLUQALDGD-UHFFFAOYSA-N -1 1 438.889 4.130 50 0 IIAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C1=O ZINC000065241605 569118831 /nfs/dbraw/zinc/11/88/31/569118831.db2.gz CIQYOLGBKJIGAX-UHFFFAOYSA-N -1 1 427.457 4.184 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc(OC)c1OC ZINC000013357985 569313709 /nfs/dbraw/zinc/31/37/09/569313709.db2.gz FBAVRKXGSKVTAQ-UHFFFAOYSA-N -1 1 434.539 4.254 50 0 IIAAMM CC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCS1 ZINC000095403687 569364205 /nfs/dbraw/zinc/36/42/05/569364205.db2.gz IHPBYMCSVHTMFE-IBGZPJMESA-N -1 1 439.002 4.354 50 0 IIAAMM O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Br)c([O-])c1 ZINC000095978317 569377744 /nfs/dbraw/zinc/37/77/44/569377744.db2.gz WRBDPNQSUUTRMW-UHFFFAOYSA-N -1 1 425.282 4.337 50 0 IIAAMM COC(=O)C[C@H](c1c(Cc2cc(F)c(F)cc2F)[n-][nH]c1=O)c1ccc(F)c(F)c1 ZINC000096231524 569387620 /nfs/dbraw/zinc/38/76/20/569387620.db2.gz PAAOMLUZGMZGBT-NSHDSACASA-N -1 1 426.341 4.097 50 0 IIAAMM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008720279 569471612 /nfs/dbraw/zinc/47/16/12/569471612.db2.gz CKODXWXIOXBCGZ-UHFFFAOYSA-N -1 1 443.838 4.148 50 0 IIAAMM O=c1ccccn1Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000040135020 569490608 /nfs/dbraw/zinc/49/06/08/569490608.db2.gz QCNODNMPMOWPAB-UHFFFAOYSA-N -1 1 442.846 4.370 50 0 IIAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009166198 569508837 /nfs/dbraw/zinc/50/88/37/569508837.db2.gz YIAYSJCNKBEVHR-UHFFFAOYSA-N -1 1 426.897 4.051 50 0 IIAAMM CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000009359209 569525728 /nfs/dbraw/zinc/52/57/28/569525728.db2.gz ILPVMVPQVSSWPV-ODLFYWEKSA-N -1 1 429.473 4.448 50 0 IIAAMM CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000009359209 569525729 /nfs/dbraw/zinc/52/57/29/569525729.db2.gz ILPVMVPQVSSWPV-ODLFYWEKSA-N -1 1 429.473 4.448 50 0 IIAAMM CC(C)(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000009408879 569530733 /nfs/dbraw/zinc/53/07/33/569530733.db2.gz OZIJCCMDTWRUDG-RQNQAMLKSA-N -1 1 434.536 4.211 50 0 IIAAMM CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009461852 569537178 /nfs/dbraw/zinc/53/71/78/569537178.db2.gz XYRMFRQLFJTDHI-UHFFFAOYSA-N -1 1 449.576 4.360 50 0 IIAAMM CCOc1ccc(C(=O)Nc2c(N)nc(SCc3c(F)cccc3Cl)[n-]c2=O)cc1 ZINC000009518184 569543951 /nfs/dbraw/zinc/54/39/51/569543951.db2.gz FKPARSYIPZNHNV-UHFFFAOYSA-N -1 1 448.907 4.088 50 0 IIAAMM Cc1[n-]n(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c1-2 ZINC000010166817 569578290 /nfs/dbraw/zinc/57/82/90/569578290.db2.gz VLYKNUVMIHHQCI-UHFFFAOYSA-N -1 1 442.397 4.482 50 0 IIAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)C(C)C)c2)cc1Br ZINC000012536142 521133275 /nfs/dbraw/zinc/13/32/75/521133275.db2.gz JXSNGRYGIANYRQ-UHFFFAOYSA-N -1 1 441.347 4.243 50 0 IIAAMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC ZINC000012605145 522758106 /nfs/dbraw/zinc/75/81/06/522758106.db2.gz BJXUALQZKHGXQQ-UHFFFAOYSA-N -1 1 425.812 4.185 50 0 IIAAMM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012551952 523400778 /nfs/dbraw/zinc/40/07/78/523400778.db2.gz QJALKZCHHBGVNN-UXBLZVDNSA-N -1 1 445.493 4.025 50 0 IIAAMM COc1ccc(CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C2CC2)cc1 ZINC000015034766 523990544 /nfs/dbraw/zinc/99/05/44/523990544.db2.gz MINDUVDGYQFUSZ-UHFFFAOYSA-N -1 1 436.533 4.301 50 0 IIAAMM Cc1cccc(C)c1OC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21 ZINC000021885418 524304140 /nfs/dbraw/zinc/30/41/40/524304140.db2.gz YVAAGKCKFPYTOM-UHFFFAOYSA-N -1 1 440.912 4.053 50 0 IIAAMM COc1ccc([N-]C(NC(=O)c2cccs2)(C(F)(F)F)C(F)(F)F)c(OC)c1 ZINC000012420051 524675353 /nfs/dbraw/zinc/67/53/53/524675353.db2.gz DRRNJXLHFOAJGX-UHFFFAOYSA-N -1 1 428.354 4.428 50 0 IIAAMM COc1ccc(Oc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 ZINC000012526285 524992690 /nfs/dbraw/zinc/99/26/90/524992690.db2.gz LIBYXXOHMBROOC-UHFFFAOYSA-N -1 1 443.477 4.068 50 0 IIAAMM Cc1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1C ZINC000021885406 525366547 /nfs/dbraw/zinc/36/65/47/525366547.db2.gz IEZFCNSAAFQQCC-UHFFFAOYSA-N -1 1 440.912 4.053 50 0 IIAAMM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(F)c(Cl)c4)c3)cn2n1 ZINC000012441354 525654258 /nfs/dbraw/zinc/65/42/58/525654258.db2.gz CZECUWMBVZJCDM-UHFFFAOYSA-N -1 1 446.891 4.307 50 0 IIAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000012123573 526119732 /nfs/dbraw/zinc/11/97/32/526119732.db2.gz CYGCRXSBBGZCIP-UHFFFAOYSA-N -1 1 437.931 4.245 50 0 IIAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCc2ccccc2C1 ZINC000017322103 526701902 /nfs/dbraw/zinc/70/19/02/526701902.db2.gz JIDJGSSDLMQPSP-UHFFFAOYSA-N -1 1 444.915 4.478 50 0 IIAAMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000001059994 555615749 /nfs/dbraw/zinc/61/57/49/555615749.db2.gz GKJHREGVBGWTGF-UHFFFAOYSA-N -1 1 444.896 4.180 50 0 IIAAMM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000002881381 555855594 /nfs/dbraw/zinc/85/55/94/555855594.db2.gz BEJLDXPVCCMHDA-UHFFFAOYSA-N -1 1 437.521 4.315 50 0 IIAAMM COC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000032655207 556413934 /nfs/dbraw/zinc/41/39/34/556413934.db2.gz DCWVDCIDYDBWCU-IBGZPJMESA-N -1 1 449.532 4.075 50 0 IIAAMM O=C(Cc1noc2ccccc12)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000014939136 556459155 /nfs/dbraw/zinc/45/91/55/556459155.db2.gz QDGLCZODDAHOMP-UHFFFAOYSA-N -1 1 443.431 4.088 50 0 IIAAMM CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)c2c(=O)[n-]c(SCC(C)C)nc2N1 ZINC000013117849 556470713 /nfs/dbraw/zinc/47/07/13/556470713.db2.gz FHIJWBAVZBHVDX-QGZVFWFLSA-N -1 1 431.533 4.440 50 0 IIAAMM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000013137144 556484090 /nfs/dbraw/zinc/48/40/90/556484090.db2.gz JJKOOLSCQRTZPP-UHFFFAOYSA-N -1 1 444.940 4.422 50 0 IIAAMM Cc1cnc([C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C2CC2)s1 ZINC000072297322 556522445 /nfs/dbraw/zinc/52/24/45/556522445.db2.gz HPXOSQVNECTDKA-LJQANCHMSA-N -1 1 445.541 4.273 50 0 IIAAMM CCCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012007451 556680578 /nfs/dbraw/zinc/68/05/78/556680578.db2.gz FGXDMLWKBBIHFD-UHFFFAOYSA-N -1 1 429.436 4.167 50 0 IIAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc1OC ZINC000049992059 556708591 /nfs/dbraw/zinc/70/85/91/556708591.db2.gz KVEVQQOPDVUXEU-LCUIJRPUSA-N -1 1 431.448 4.344 50 0 IIAAMM CCc1c(C)sc2[n-]c(=S)n(NC(=O)COc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000019637962 556836146 /nfs/dbraw/zinc/83/61/46/556836146.db2.gz AANZVMLDXVYWNF-UHFFFAOYSA-N -1 1 443.472 4.159 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)cc1C ZINC000033122274 556863331 /nfs/dbraw/zinc/86/33/31/556863331.db2.gz SPSAXFWJBNOVCY-UHFFFAOYSA-N -1 1 439.566 4.310 50 0 IIAAMM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)c1 ZINC000033173835 556883908 /nfs/dbraw/zinc/88/39/08/556883908.db2.gz UVHMMWFGLFZASJ-UHFFFAOYSA-N -1 1 447.460 4.283 50 0 IIAAMM O=C(Nc1cccc2nsnc21)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000033170541 556885871 /nfs/dbraw/zinc/88/58/71/556885871.db2.gz JMAJFYAVDJSLEE-UHFFFAOYSA-N -1 1 446.460 4.023 50 0 IIAAMM COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000033253438 556893692 /nfs/dbraw/zinc/89/36/92/556893692.db2.gz ASXJRCFBIRWIFE-UHFFFAOYSA-N -1 1 438.933 4.084 50 0 IIAAMM CC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000023155474 557029069 /nfs/dbraw/zinc/02/90/69/557029069.db2.gz AKQBZPDSPPRBPM-UHFFFAOYSA-N -1 1 426.469 4.390 50 0 IIAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)c1 ZINC000046075508 557032160 /nfs/dbraw/zinc/03/21/60/557032160.db2.gz IFXRHFNEIFFVMH-KRWDZBQOSA-N -1 1 448.548 4.052 50 0 IIAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(C)o1 ZINC000046085331 557035613 /nfs/dbraw/zinc/03/56/13/557035613.db2.gz SXEPNEHPKSLVFB-NRFANRHFSA-N -1 1 437.521 4.477 50 0 IIAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000017308134 557054218 /nfs/dbraw/zinc/05/42/18/557054218.db2.gz WALCOUFZACWSJU-UHFFFAOYSA-N -1 1 436.533 4.479 50 0 IIAAMM CC(=O)Nc1ccc(Cc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033276394 557056421 /nfs/dbraw/zinc/05/64/21/557056421.db2.gz WOZXLECVOJFXOU-UHFFFAOYSA-N -1 1 448.504 4.087 50 0 IIAAMM COc1ccc(OCc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033276427 557056801 /nfs/dbraw/zinc/05/68/01/557056801.db2.gz KYGVAHMBAXCGTM-UHFFFAOYSA-N -1 1 437.477 4.125 50 0 IIAAMM Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048300549 557062389 /nfs/dbraw/zinc/06/23/89/557062389.db2.gz QZQWZQZDDRSROX-FQEVSTJZSA-N -1 1 440.496 4.189 50 0 IIAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000017783693 557122265 /nfs/dbraw/zinc/12/22/65/557122265.db2.gz RHSRUBXZYIKUKT-VXNXHJTFSA-N -1 1 428.488 4.363 50 0 IIAAMM COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3Cl)c(=O)[n-]2)cc1 ZINC000018191197 557246293 /nfs/dbraw/zinc/24/62/93/557246293.db2.gz UIPQFMCQBTUKAM-UHFFFAOYSA-N -1 1 429.929 4.062 50 0 IIAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706714 557366964 /nfs/dbraw/zinc/36/69/64/557366964.db2.gz RHSRUBXZYIKUKT-RBZQAINGSA-N -1 1 428.488 4.363 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccc(C)c(C)c2)o1)c1nc(C)cs1 ZINC000102814715 557393490 /nfs/dbraw/zinc/39/34/90/557393490.db2.gz JXWDLWAAVCCJEH-INIZCTEOSA-N -1 1 431.539 4.126 50 0 IIAAMM CC(C)Sc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)CCCC3)n(C)c(=O)n2C ZINC000045941035 557549508 /nfs/dbraw/zinc/54/95/08/557549508.db2.gz BNLKGICBDCJEJH-UHFFFAOYSA-N -1 1 445.610 4.057 50 0 IIAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2SC(C)C)n(C)c(=O)n3C)c1C ZINC000045941191 557550806 /nfs/dbraw/zinc/55/08/06/557550806.db2.gz ZYYUVTFOKLOQRM-UHFFFAOYSA-N -1 1 447.626 4.412 50 0 IIAAMM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Br)c1ccccc1OC(F)F ZINC000225605960 557750440 /nfs/dbraw/zinc/75/04/40/557750440.db2.gz BAPSPEHRUUBGOM-UHFFFAOYSA-N -1 1 447.179 4.265 50 0 IIAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(C)csc4n3)cc2)cc1 ZINC000008598437 562954297 /nfs/dbraw/zinc/95/42/97/562954297.db2.gz HUQUIGKEOFXFNZ-UHFFFAOYSA-N -1 1 426.523 4.130 50 0 aggregator IIAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c(OC)c1 ZINC000008600184 562954984 /nfs/dbraw/zinc/95/49/84/562954984.db2.gz MQEWUWBTYAVFGA-UHFFFAOYSA-N -1 1 438.889 4.130 50 0 IIAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000086057757 568642510 /nfs/dbraw/zinc/64/25/10/568642510.db2.gz GIHMIPCASFOXLD-KRWDZBQOSA-N -1 1 439.512 4.464 50 0 IIAAMM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000086057827 568642516 /nfs/dbraw/zinc/64/25/16/568642516.db2.gz WDQDLOWWBIQEFM-QGZVFWFLSA-N -1 1 425.485 4.074 50 0 IIAAMM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2s1 ZINC000015870319 568851548 /nfs/dbraw/zinc/85/15/48/568851548.db2.gz WNTJDHYLMXSNQY-UHFFFAOYSA-N -1 1 427.910 4.484 50 0 IIAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@@H]3c1ccc(O)cc1 ZINC000524730208 568903945 /nfs/dbraw/zinc/90/39/45/568903945.db2.gz ZTDPKPSBFYBSBL-MRXNPFEDSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3C)cc2C1=O ZINC000065241621 569118818 /nfs/dbraw/zinc/11/88/18/569118818.db2.gz NAOYUBGIZTYVNH-UHFFFAOYSA-N -1 1 441.484 4.492 50 0 IIAAMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000089646975 569160458 /nfs/dbraw/zinc/16/04/58/569160458.db2.gz KMWAKDQNPCOADO-UHFFFAOYSA-N -1 1 436.599 4.094 50 0 IIAAMM COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1c(C)c2ccc([O-])cc2oc1=O ZINC000253411693 569265865 /nfs/dbraw/zinc/26/58/65/569265865.db2.gz OYPJJSCFCHLKIX-NRFANRHFSA-N -1 1 432.476 4.033 50 0 biogenic IIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)cc1 ZINC000095464767 569370560 /nfs/dbraw/zinc/37/05/60/569370560.db2.gz GXXXACRGINCWJV-UHFFFAOYSA-N -1 1 446.532 4.116 50 0 IIAAMM COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1ccccc1OCc1ccccn1 ZINC000096118115 569384404 /nfs/dbraw/zinc/38/44/04/569384404.db2.gz ZVLDMCDGTQZHOY-OAQYLSRUSA-N -1 1 443.503 4.375 50 0 IIAAMM Cc1nn(C)cc1-c1nc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000097022277 569402897 /nfs/dbraw/zinc/40/28/97/569402897.db2.gz ZPJZOTFZHIXWJD-UHFFFAOYSA-N -1 1 435.431 4.091 50 0 IIAAMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(Br)c1 ZINC000057769629 569441291 /nfs/dbraw/zinc/44/12/91/569441291.db2.gz RDMLDKOPTBXAQX-UHFFFAOYSA-N -1 1 438.221 4.275 50 0 IIAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067298738 569468057 /nfs/dbraw/zinc/46/80/57/569468057.db2.gz LKMZNPWXGLEMEB-BZIHZDCZSA-N -1 1 448.397 4.178 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(=O)N1CCCC1 ZINC000009191846 569510685 /nfs/dbraw/zinc/51/06/85/569510685.db2.gz FLZNVWQNGYJVBP-UHFFFAOYSA-N -1 1 436.533 4.399 50 0 IIAAMM Cc1c(-c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)nc2ncccn12 ZINC000009224071 569513139 /nfs/dbraw/zinc/51/31/39/569513139.db2.gz HGTRQCBNHBPVQC-UHFFFAOYSA-N -1 1 443.326 4.268 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2C)cc1OC ZINC000009403980 569529569 /nfs/dbraw/zinc/52/95/69/569529569.db2.gz KRGDDRUIZXWDCQ-UHFFFAOYSA-N -1 1 441.534 4.485 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Cc1ccccc1F ZINC000009562034 569547196 /nfs/dbraw/zinc/54/71/96/569547196.db2.gz SRJZLTICRYJSGD-UHFFFAOYSA-N -1 1 448.903 4.470 50 0 IIAAMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000009562218 569547243 /nfs/dbraw/zinc/54/72/43/569547243.db2.gz KKLNYUIVROQUKE-UHFFFAOYSA-N -1 1 438.505 4.143 50 0 IIAAMM COc1cccc(OCCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)c1 ZINC000009640809 569555435 /nfs/dbraw/zinc/55/54/35/569555435.db2.gz HGLPJYBKUDHDTJ-UHFFFAOYSA-N -1 1 442.928 4.308 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)cc1OC ZINC000009835379 569570607 /nfs/dbraw/zinc/57/06/07/569570607.db2.gz JQGOZQJPOIOSRY-UHFFFAOYSA-N -1 1 430.448 4.124 50 0 IIAAMM CC(=O)c1cccc(NC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)c1 ZINC000012892406 518429832 /nfs/dbraw/zinc/42/98/32/518429832.db2.gz FJVJNRVEMYIXSC-UHFFFAOYSA-N -1 1 429.428 4.386 50 0 biogenic IIAAMM CC(=O)c1cccc(NC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000012892406 518429841 /nfs/dbraw/zinc/42/98/41/518429841.db2.gz FJVJNRVEMYIXSC-UHFFFAOYSA-N -1 1 429.428 4.386 50 0 biogenic IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000035684022 519638516 /nfs/dbraw/zinc/63/85/16/519638516.db2.gz WUOLZCBVUQAKFJ-QHCPKHFHSA-N -1 1 437.496 4.324 50 0 IIAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000012758055 520806440 /nfs/dbraw/zinc/80/64/40/520806440.db2.gz KVQRXVIGFIXFHM-UHFFFAOYSA-N -1 1 441.553 4.035 50 0 IIAAMM CCCCOc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000012126040 520870717 /nfs/dbraw/zinc/87/07/17/520870717.db2.gz CEYFYYYNNKVARY-UHFFFAOYSA-N -1 1 435.528 4.388 50 0 IIAAMM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)nn2)CC1 ZINC000020554819 521036067 /nfs/dbraw/zinc/03/60/67/521036067.db2.gz KDIAZHDKCXBKKU-UHFFFAOYSA-N -1 1 426.517 4.320 50 0 IIAAMM CCN(Cc1ccccc1)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(C)c1 ZINC000035479647 521377059 /nfs/dbraw/zinc/37/70/59/521377059.db2.gz CRTGQTMGIOMLIP-UHFFFAOYSA-N -1 1 439.537 4.224 50 0 IIAAMM CC[C@H](C)NC(=O)CSc1[n-]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112509 523975762 /nfs/dbraw/zinc/97/57/62/523975762.db2.gz XJBAXKOYWFFOOC-INIZCTEOSA-N -1 1 443.594 4.225 50 0 IIAAMM COc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000035910980 524390622 /nfs/dbraw/zinc/39/06/22/524390622.db2.gz LUAUFFGVAHTEQW-JOCHJYFZSA-N -1 1 440.546 4.275 50 0 IIAAMM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000018076723 524435672 /nfs/dbraw/zinc/43/56/72/524435672.db2.gz ILFFRTCISFHXLF-UHFFFAOYSA-N -1 1 446.475 4.046 50 0 IIAAMM Cc1cc(C)cc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1 ZINC000021885412 524439512 /nfs/dbraw/zinc/43/95/12/524439512.db2.gz ICOJUKKXVOEAAA-UHFFFAOYSA-N -1 1 440.912 4.053 50 0 IIAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2N2CCCCC2)cc1 ZINC000012585291 524690283 /nfs/dbraw/zinc/69/02/83/524690283.db2.gz NYBGQLKKXGVXEC-UZLBHIALSA-N -1 1 443.569 4.081 50 0 IIAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000012541227 525791269 /nfs/dbraw/zinc/79/12/69/525791269.db2.gz FZOPMCXGMATKGU-QGZVFWFLSA-N -1 1 432.553 4.369 50 0 IIAAMM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000012464391 525794836 /nfs/dbraw/zinc/79/48/36/525794836.db2.gz BMKDYTGZBSBRMW-SFHVURJKSA-N -1 1 438.578 4.227 50 0 IIAAMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000012910427 526980016 /nfs/dbraw/zinc/98/00/16/526980016.db2.gz IQMJYJPHSGHFRG-UHFFFAOYSA-N -1 1 429.723 4.030 50 0 IIAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(Cl)cc1)CC2)Nc1ccccc1 ZINC000020467765 527055498 /nfs/dbraw/zinc/05/54/98/527055498.db2.gz RYPJIIPVMSRAMA-UHFFFAOYSA-N -1 1 440.956 4.125 50 0 IIAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1)c1ccco1 ZINC000012733263 527362699 /nfs/dbraw/zinc/36/26/99/527362699.db2.gz OKUFWPWCZBVYOO-UHFFFAOYSA-N -1 1 426.372 4.231 50 0 IIAAMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C(=O)CCC5)c3cccc1c23 ZINC000000781565 555555255 /nfs/dbraw/zinc/55/52/55/555555255.db2.gz PECQHNYIJMFLBY-UHFFFAOYSA-N -1 1 432.457 4.472 50 0 IIAAMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001072608 555621944 /nfs/dbraw/zinc/62/19/44/555621944.db2.gz PALMNVOLCFTCTG-UHFFFAOYSA-N -1 1 438.505 4.225 50 0 IIAAMM CN1c2ccccc2[C@H](NCCCCCCC(=O)[O-])c2ccc(Cl)cc2S1(=O)=O ZINC000001542594 555702857 /nfs/dbraw/zinc/70/28/57/555702857.db2.gz JICJBGPOMZQUBB-NRFANRHFSA-N -1 1 436.961 4.193 50 0 world IIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2)c1 ZINC000032843046 556428216 /nfs/dbraw/zinc/42/82/16/556428216.db2.gz SCNMJHNEZYNYQE-JOCHJYFZSA-N -1 1 435.549 4.477 50 0 IIAAMM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2cc(F)ccc2s1 ZINC000013114593 556467130 /nfs/dbraw/zinc/46/71/30/556467130.db2.gz BHIFXGIAZFPJNC-UHFFFAOYSA-N -1 1 445.475 4.181 50 0 IIAAMM CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)c2c(=O)[n-]c(SCC(C)C)nc2N1 ZINC000013117850 556471077 /nfs/dbraw/zinc/47/10/77/556471077.db2.gz FHIJWBAVZBHVDX-KRWDZBQOSA-N -1 1 431.533 4.440 50 0 IIAAMM O=C(NC1CCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000033274586 556558722 /nfs/dbraw/zinc/55/87/22/556558722.db2.gz DIEWIOWJZDBTGZ-UHFFFAOYSA-N -1 1 436.936 4.370 50 0 IIAAMM COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@H](C)C1 ZINC000032971138 556589087 /nfs/dbraw/zinc/58/90/87/556589087.db2.gz RUMGFQZNIMJRIO-ZDUSSCGKSA-N -1 1 438.933 4.084 50 0 IIAAMM CC[C@@H](C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000011854974 556662146 /nfs/dbraw/zinc/66/21/46/556662146.db2.gz KTPDEJDDWKDAOA-QGZVFWFLSA-N -1 1 433.537 4.433 50 0 IIAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2Cl)[n-]c(=O)c1C ZINC000011854912 556662157 /nfs/dbraw/zinc/66/21/57/556662157.db2.gz NUVQLHIFDRBKMU-UHFFFAOYSA-N -1 1 425.901 4.207 50 0 IIAAMM C[C@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000022993292 556832464 /nfs/dbraw/zinc/83/24/64/556832464.db2.gz CCHNQWXPMJYRFI-AWEZNQCLSA-N -1 1 446.912 4.252 50 0 IIAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2ccc(C(=O)NC(C)C)cn2)cc1 ZINC000033138332 556869724 /nfs/dbraw/zinc/86/97/24/556869724.db2.gz PILPWIYNGCIBOA-UHFFFAOYSA-N -1 1 441.578 4.480 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)cc1F ZINC000033170536 556885887 /nfs/dbraw/zinc/88/58/87/556885887.db2.gz RVUAXEVZVHXQPK-UHFFFAOYSA-N -1 1 442.497 4.192 50 0 IIAAMM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(OC)c1 ZINC000020247549 557003044 /nfs/dbraw/zinc/00/30/44/557003044.db2.gz KBGOKCDNDVPJHZ-UHFFFAOYSA-N -1 1 443.550 4.314 50 0 IIAAMM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc21 ZINC000032943919 557021724 /nfs/dbraw/zinc/02/17/24/557021724.db2.gz YZJPBWIIAJUKBL-LLVKDONJSA-N -1 1 441.372 4.097 50 0 IIAAMM CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c2c(c1=O)CCCC2 ZINC000046027521 557023462 /nfs/dbraw/zinc/02/34/62/557023462.db2.gz FKKNOAGSTLYPPB-UHFFFAOYSA-N -1 1 437.565 4.227 50 0 IIAAMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c(C)c1 ZINC000046075501 557032176 /nfs/dbraw/zinc/03/21/76/557032176.db2.gz BPUNVLXLJVPMCS-QGZVFWFLSA-N -1 1 448.548 4.052 50 0 IIAAMM COc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)c1 ZINC000033276508 557056778 /nfs/dbraw/zinc/05/67/78/557056778.db2.gz WZXJCAVRPXXPDW-UHFFFAOYSA-N -1 1 425.441 4.352 50 0 IIAAMM CC(=O)Nc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033276423 557056877 /nfs/dbraw/zinc/05/68/77/557056877.db2.gz CYOCMBQGKCJAET-UHFFFAOYSA-N -1 1 434.477 4.163 50 0 IIAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cc(C)ccc4C)ccc3n2C)cc1 ZINC000033276991 557057870 /nfs/dbraw/zinc/05/78/70/557057870.db2.gz MHZXRNWUTMXHEZ-UHFFFAOYSA-N -1 1 448.548 4.018 50 0 IIAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)NC2CCCCC2)n1 ZINC000033292535 557076066 /nfs/dbraw/zinc/07/60/66/557076066.db2.gz XIYNHHGZWCQPLU-UHFFFAOYSA-N -1 1 440.594 4.410 50 0 IIAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCCC4)C2)nc3=O)cc1 ZINC000049421257 557107775 /nfs/dbraw/zinc/10/77/75/557107775.db2.gz KFJSMXSDZUCXNX-QGZVFWFLSA-N -1 1 436.581 4.235 50 0 IIAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NC3CCCC3)C1)nc2=O ZINC000049421420 557108166 /nfs/dbraw/zinc/10/81/66/557108166.db2.gz XAIORAUFFPACAK-MRXNPFEDSA-N -1 1 436.581 4.235 50 0 IIAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023805143 557116827 /nfs/dbraw/zinc/11/68/27/557116827.db2.gz JCNYJKBUAYAZPD-UHFFFAOYSA-N -1 1 443.263 4.132 50 0 IIAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c1=O ZINC000101766575 557295842 /nfs/dbraw/zinc/29/58/42/557295842.db2.gz KSXBDTZOJXGYIV-IBGZPJMESA-N -1 1 437.521 4.106 50 0 IIAAMM O=C(NCCc1ccccc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827807 557299806 /nfs/dbraw/zinc/29/98/06/557299806.db2.gz ALESIACLYNOMLX-UHFFFAOYSA-N -1 1 442.906 4.445 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)nn2c1=O ZINC000101861391 557303986 /nfs/dbraw/zinc/30/39/86/557303986.db2.gz SWEDGYSIHKILNP-UHFFFAOYSA-N -1 1 447.514 4.363 50 0 IIAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C)cc3)C(=O)c3cccs3)nn2c1=O ZINC000101861451 557304060 /nfs/dbraw/zinc/30/40/60/557304060.db2.gz FEWQGGULXZOAQA-UHFFFAOYSA-N -1 1 435.553 4.286 50 0 IIAAMM CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102764702 557381360 /nfs/dbraw/zinc/38/13/60/557381360.db2.gz DEFJWDXEEOVJRK-WXFUMESZSA-N -1 1 441.487 4.005 50 0 IIAAMM CCOC(=O)C(=C([O-])CSc1nc2ccccc2n1C(F)F)c1nc(C)cs1 ZINC000102905648 557411718 /nfs/dbraw/zinc/41/17/18/557411718.db2.gz WVFNOWQHMFIHKX-AWEZNQCLSA-N -1 1 425.482 4.204 50 0 IIAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccccc1 ZINC000001161450 562920796 /nfs/dbraw/zinc/92/07/96/562920796.db2.gz WWSQWBKCQXXPSX-UHFFFAOYSA-N -1 1 438.530 4.441 50 0 IIAAMM COc1cc(NC(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[n-]2)cc(OC)c1 ZINC000044389044 563122062 /nfs/dbraw/zinc/12/20/62/563122062.db2.gz ZEBABPXRKDFXPV-UHFFFAOYSA-N -1 1 446.467 4.005 50 0 IIAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000086057618 568642779 /nfs/dbraw/zinc/64/27/79/568642779.db2.gz GEJDWPJYFHQXMO-KRWDZBQOSA-N -1 1 439.512 4.464 50 0 IIAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccc(O)c3)CC(=O)O4)c2=O)cc1 ZINC000085879380 568838988 /nfs/dbraw/zinc/83/89/88/568838988.db2.gz AUTYPNIJXCTDCJ-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccc(O)c2)cc1 ZINC000085879380 568838989 /nfs/dbraw/zinc/83/89/89/568838989.db2.gz AUTYPNIJXCTDCJ-KRWDZBQOSA-N -1 1 430.412 4.321 50 0 biogenic IIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)cc1Cl ZINC000015870331 568851740 /nfs/dbraw/zinc/85/17/40/568851740.db2.gz UZSPCIQAJARMKU-UHFFFAOYSA-N -1 1 439.946 4.354 50 0 IIAAMM Cc1cccc(-c2nc3c(c(=O)[n-]2)CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC3)c1 ZINC000035815306 568927440 /nfs/dbraw/zinc/92/74/40/568927440.db2.gz BHXZZIOZWUNJEV-UHFFFAOYSA-N -1 1 428.414 4.354 50 0 IIAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCCC(C)C)CC2)nc3=O)c1 ZINC000064611784 568941539 /nfs/dbraw/zinc/94/15/39/568941539.db2.gz PITQHXFQNZCQHY-UHFFFAOYSA-N -1 1 438.597 4.339 50 0 IIAAMM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)ccc21 ZINC000065020874 569088712 /nfs/dbraw/zinc/08/87/12/569088712.db2.gz PDQNIHIBQJAWCX-UHFFFAOYSA-N -1 1 437.359 4.202 50 0 IIAAMM CCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063379 569097977 /nfs/dbraw/zinc/09/79/77/569097977.db2.gz SJRVWONMRSUFDC-UHFFFAOYSA-N -1 1 425.510 4.205 50 0 IIAAMM CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1cccc(C)c1 ZINC000089669322 569161134 /nfs/dbraw/zinc/16/11/34/569161134.db2.gz ZEYNGFYURDFSLP-DEOSSOPVSA-N -1 1 433.533 4.493 50 0 IIAAMM COc1ccc(-c2cc(=O)[n-]c(SCC(=O)Nc3oncc3-c3ccc(C)cc3)n2)cc1 ZINC000016840999 569163233 /nfs/dbraw/zinc/16/32/33/569163233.db2.gz AXMNLCNOBWYGRZ-UHFFFAOYSA-N -1 1 448.504 4.140 50 0 IIAAMM CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000252483342 569186553 /nfs/dbraw/zinc/18/65/53/569186553.db2.gz DZGSAFCDWORODF-OAQYLSRUSA-N -1 1 437.521 4.477 50 0 IIAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000028049144 569406696 /nfs/dbraw/zinc/40/66/96/569406696.db2.gz FDDJDNBUPAVJQM-UHFFFAOYSA-N -1 1 439.562 4.137 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 ZINC000003225447 569442129 /nfs/dbraw/zinc/44/21/29/569442129.db2.gz MLZZUBBBOMEPKB-UHFFFAOYSA-N -1 1 433.533 4.250 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Br)cc1 ZINC000003269972 569443543 /nfs/dbraw/zinc/44/35/43/569443543.db2.gz WIQHHDDASQBEGW-UHFFFAOYSA-N -1 1 447.358 4.235 50 0 IIAAMM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2c(cccc2F)s1 ZINC000008862245 569480138 /nfs/dbraw/zinc/48/01/38/569480138.db2.gz QZYCUGKGSDEEAD-UHFFFAOYSA-N -1 1 445.475 4.181 50 0 IIAAMM O=C(c1ccccc1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000008977464 569493017 /nfs/dbraw/zinc/49/30/17/569493017.db2.gz FZMGVJZSVWCJRZ-UHFFFAOYSA-N -1 1 426.925 4.339 50 0 IIAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC[C@@H]2CCCOC2)c1 ZINC000040157555 569494310 /nfs/dbraw/zinc/49/43/10/569494310.db2.gz PZUMYOMPKFBQFU-SFHVURJKSA-N -1 1 444.597 4.250 50 0 IIAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1n[nH]c2ccccc21 ZINC000009115667 569502779 /nfs/dbraw/zinc/50/27/79/569502779.db2.gz NWPFUKOOHRHLOV-UHFFFAOYSA-N -1 1 426.885 4.269 50 0 IIAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)cc1OC ZINC000009403964 569529518 /nfs/dbraw/zinc/52/95/18/569529518.db2.gz MRTKVWQMNIDRCG-UHFFFAOYSA-N -1 1 427.507 4.176 50 0 IIAAMM O=S(=O)([N-]c1ccc(-c2cn3c(n2)SCC3)cc1)c1cccc(C(F)(F)F)c1 ZINC000009518922 569544204 /nfs/dbraw/zinc/54/42/04/569544204.db2.gz ICLIKRXOJZRNML-UHFFFAOYSA-N -1 1 425.457 4.475 50 0 IIAAMM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1=O ZINC000009549944 569546671 /nfs/dbraw/zinc/54/66/71/569546671.db2.gz IUKPNDVKOGJBMF-NRFANRHFSA-N -1 1 425.897 4.181 50 0 IIAAMM CCc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21 ZINC000009640904 569555552 /nfs/dbraw/zinc/55/55/52/569555552.db2.gz DAGRBFFMKCCTRS-UHFFFAOYSA-N -1 1 426.929 4.472 50 0 IIAAMM Cc1ccc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[n-]n32)c(C)c1 ZINC000009641483 569555688 /nfs/dbraw/zinc/55/56/88/569555688.db2.gz AEATXVKUYIMTDY-UHFFFAOYSA-N -1 1 439.928 4.086 50 0 IIAAMM COc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cn1 ZINC000009643742 569555938 /nfs/dbraw/zinc/55/59/38/569555938.db2.gz UGJQIPQYPPYFAA-UHFFFAOYSA-N -1 1 447.516 4.225 50 0 IIAAMM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)s2)on1 ZINC000009688976 569560875 /nfs/dbraw/zinc/56/08/75/569560875.db2.gz PWIPHJCNJGQUON-UHFFFAOYSA-N -1 1 430.866 4.173 50 0 IIAAMM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000009707404 569561472 /nfs/dbraw/zinc/56/14/72/569561472.db2.gz PCXYKIXWMMNZML-UHFFFAOYSA-N -1 1 445.544 4.374 50 0 IIAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4sccc4C3)ccc2C)cc1 ZINC000009896653 569573042 /nfs/dbraw/zinc/57/30/42/569573042.db2.gz KFXDZZYQGNEDHI-UHFFFAOYSA-N -1 1 426.563 4.364 50 0 IIAAMM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(=O)c12 ZINC000010166784 569578327 /nfs/dbraw/zinc/57/83/27/569578327.db2.gz ARLAXEZYRLVQQJ-UHFFFAOYSA-N -1 1 430.361 4.432 50 0 IIAAMM