smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000004052163 132270171 /nfs/dbraw/zinc/27/01/71/132270171.db2.gz CBBVZMLVBHUPSV-OAHLLOKOSA-N -1 0 411.449 3.207 50 0 HGAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000005625223 132307173 /nfs/dbraw/zinc/30/71/73/132307173.db2.gz ZKWZINYEJOTRBL-VHEBQXMUSA-N -1 0 409.442 3.453 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)cc1 ZINC000032951063 521130326 /nfs/dbraw/zinc/13/03/26/521130326.db2.gz WVJMABHBHIGUPE-UHFFFAOYSA-N -1 0 414.487 3.478 50 0 HGAARM COc1cc(OC)cc([C@H]2c3nc[nH]c3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000040312561 522886577 /nfs/dbraw/zinc/88/65/77/522886577.db2.gz VPXPZYQYFHJKBI-FQEVSTJZSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCSC)C(=O)[O-])s2)cc1OC ZINC000040313046 523192571 /nfs/dbraw/zinc/19/25/71/523192571.db2.gz RYSTZYXIJMQRBL-LBPRGKRZSA-N -1 0 410.517 3.072 50 0 biogenic HGAARM CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000032912184 523375751 /nfs/dbraw/zinc/37/57/51/523375751.db2.gz PMSBRZIFNAJYEY-UHFFFAOYSA-N -1 0 410.499 3.107 50 0 HGAARM Cc1cc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2Cc2ccccc2)no1 ZINC000020546783 525116293 /nfs/dbraw/zinc/11/62/93/525116293.db2.gz ORYNMSOURWQSHB-UHFFFAOYSA-N -1 0 411.439 3.053 50 0 HGAARM Cc1ccc(-n2c3nc(SCC(=O)NC(C)C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948645 525903618 /nfs/dbraw/zinc/90/36/18/525903618.db2.gz NYEUXPMAMXVQOP-UHFFFAOYSA-N -1 0 406.558 3.430 50 0 HGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000032102494 527657050 /nfs/dbraw/zinc/65/70/50/527657050.db2.gz ULAGRRUPIPJJSS-MGPUTAFESA-N -1 0 421.453 3.343 50 0 HGAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022626746 557107139 /nfs/dbraw/zinc/10/71/39/557107139.db2.gz LVCBFHAITIZIKM-GDZNZVCISA-N -1 0 402.520 3.402 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3F)C2)cc1OC ZINC000000890342 557112032 /nfs/dbraw/zinc/11/20/32/557112032.db2.gz HEDODYYCAWBIQR-QGZVFWFLSA-N -1 0 400.406 3.385 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000001072291 557170289 /nfs/dbraw/zinc/17/02/89/557170289.db2.gz UKAMZQFEOSXHKZ-GFCCVEGCSA-N -1 0 403.232 3.139 50 0 HGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccccc1F ZINC000001139631 557202939 /nfs/dbraw/zinc/20/29/39/557202939.db2.gz WBLICAZZASETCL-VGOFMYFVSA-N -1 0 421.222 3.356 50 0 HGAARM CCOC(=O)[C@@]([N-]c1nnc(C)s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002050067 557300665 /nfs/dbraw/zinc/30/06/65/557300665.db2.gz SITLEKIMAPBSRN-AWEZNQCLSA-N -1 0 422.816 3.164 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000002539578 557355276 /nfs/dbraw/zinc/35/52/76/557355276.db2.gz YMGDQLXBNMRJMR-HNNXBMFYSA-N -1 0 412.442 3.366 50 0 HGAARM COc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCCC(=O)[O-])cc1 ZINC000002978653 557434256 /nfs/dbraw/zinc/43/42/56/557434256.db2.gz VHJBVNRHFYVQDD-AQTBWJFISA-N -1 0 416.861 3.101 50 0 HGAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034763673 557461180 /nfs/dbraw/zinc/46/11/80/557461180.db2.gz PPKGIAALQLTGFC-HNNXBMFYSA-N -1 0 407.474 3.066 50 0 HGAARM CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Br ZINC000003239662 557462802 /nfs/dbraw/zinc/46/28/02/557462802.db2.gz RACVYGPEKAYHSA-UHFFFAOYSA-N -1 0 400.250 3.347 50 0 HGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000004133988 557518349 /nfs/dbraw/zinc/51/83/49/557518349.db2.gz NYSTXURAOWURQL-RBUKOAKNSA-N -1 0 407.422 3.332 50 0 HGAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004173387 557524144 /nfs/dbraw/zinc/52/41/44/557524144.db2.gz YTZQVNLKYKSHMT-ACESQOTJSA-N -1 0 416.521 3.443 50 0 HGAARM CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000004196074 557527641 /nfs/dbraw/zinc/52/76/41/557527641.db2.gz FWRZWEWMQDREPN-OALUTQOASA-N -1 0 422.547 3.469 50 0 HGAARM COc1ccc(NC(=O)C[C@H](CC(=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004377492 557548912 /nfs/dbraw/zinc/54/89/12/557548912.db2.gz WOUOXOYLPRMEPB-CQSZACIVSA-N -1 0 403.431 3.308 50 0 HGAARM CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OCC)c1C ZINC000005021032 557626773 /nfs/dbraw/zinc/62/67/73/557626773.db2.gz RUIKYQJZSPJZBH-NWDGAFQWSA-N -1 0 409.460 3.015 50 0 HGAARM COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000005101558 557635817 /nfs/dbraw/zinc/63/58/17/557635817.db2.gz DMZJCOCVBFFQRU-YWXUCKCNSA-N -1 0 410.470 3.082 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000005103130 557636559 /nfs/dbraw/zinc/63/65/59/557636559.db2.gz ATSMWYLJBYQVCG-KWSGTBLZSA-N -1 0 410.470 3.082 50 0 HGAARM Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000002804973 557763797 /nfs/dbraw/zinc/76/37/97/557763797.db2.gz VACANFUCOBSXQM-UHFFFAOYSA-N -1 0 413.425 3.101 50 0 HGAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCC1=CCCCC1 ZINC000002975355 557776726 /nfs/dbraw/zinc/77/67/26/557776726.db2.gz QECXRSQJJUHHEA-UHFFFAOYSA-N -1 0 401.488 3.185 50 0 HGAARM Cc1sc2[nH]c(C(=Cc3ccc(C(=O)[O-])cc3)C(=O)N3CCCC3)nc(=O)c2c1C ZINC000008745063 557804682 /nfs/dbraw/zinc/80/46/82/557804682.db2.gz KJMUZHCZSVGSHZ-LFIBNONCSA-N -1 0 423.494 3.463 50 0 HGAARM CCOC(=O)C1CCN([C@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])CC1 ZINC000022853577 557840142 /nfs/dbraw/zinc/84/01/42/557840142.db2.gz GSARVXIMJQPYJM-OAHLLOKOSA-N -1 0 404.492 3.016 50 0 HGAARM CC(=O)NC1C(=O)N=C(SCC(=O)N(C2CCCCC2)C2CCCCC2)N=C1[O-] ZINC000012379554 558392782 /nfs/dbraw/zinc/39/27/82/558392782.db2.gz XPAJEWGZYXKLQV-UHFFFAOYSA-N -1 0 422.551 3.020 50 0 HGAARM Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1C(=O)NCc1cccnc1 ZINC000020719178 558402564 /nfs/dbraw/zinc/40/25/64/558402564.db2.gz YROKLNZFVNNCFV-UHFFFAOYSA-N -1 0 422.919 3.231 50 0 HGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004354599 558439966 /nfs/dbraw/zinc/43/99/66/558439966.db2.gz BRGXCPCRKHLUHK-ZDLGFXPLSA-N -1 0 410.380 3.257 50 0 HGAARM COc1cc(CN(C)C(=O)CSCCC(=O)[O-])ccc1OCc1ccccc1 ZINC000012793531 558467116 /nfs/dbraw/zinc/46/71/16/558467116.db2.gz GQLQGNKSMDHEQG-UHFFFAOYSA-N -1 0 403.500 3.441 50 0 HGAARM C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCC(=O)[O-])C(=O)NC1CCCC1 ZINC000013176982 558525244 /nfs/dbraw/zinc/52/52/44/558525244.db2.gz ONTHAYDDNXSGQM-NSHDSACASA-N -1 0 423.922 3.064 50 0 HGAARM CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000022960079 558528017 /nfs/dbraw/zinc/52/80/17/558528017.db2.gz DSRCQZMRWSPVAY-UHFFFAOYSA-N -1 0 404.488 3.033 50 0 HGAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3cccs3)C2=O)cc1O ZINC000013572830 558542576 /nfs/dbraw/zinc/54/25/76/558542576.db2.gz IWNGFHBAKJHZJZ-ZROIWOOFSA-N -1 0 418.452 3.217 50 0 HGAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000023371526 558552891 /nfs/dbraw/zinc/55/28/91/558552891.db2.gz CGZXUGSVMOSCTD-UHFFFAOYSA-N -1 0 416.455 3.148 50 0 HGAARM O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000024143705 558590385 /nfs/dbraw/zinc/59/03/85/558590385.db2.gz OGQROGJAAGEXGQ-UHFFFAOYSA-N -1 0 402.834 3.265 50 0 HGAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000024771024 558611865 /nfs/dbraw/zinc/61/18/65/558611865.db2.gz ZNCYPJLTECTGLS-UHFFFAOYSA-N -1 0 417.632 3.164 50 0 HGAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc2oc3ccccc3c2cc1OC ZINC000024976382 558623787 /nfs/dbraw/zinc/62/37/87/558623787.db2.gz RCBDCPQGKQRBOK-UHFFFAOYSA-N -1 0 415.427 3.295 50 0 HGAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000014256878 558651349 /nfs/dbraw/zinc/65/13/49/558651349.db2.gz LZHAJOJBYGGPON-UHFFFAOYSA-N -1 0 405.472 3.358 50 0 HGAARM COc1ccc(C(=O)NC(=C([O-])c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000027016136 558668319 /nfs/dbraw/zinc/66/83/19/558668319.db2.gz VFQINABXNBLYHI-QFIPXVFZSA-N -1 0 409.463 3.108 50 0 HGAARM CCc1nnc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)s1 ZINC000030604833 558733927 /nfs/dbraw/zinc/73/39/27/558733927.db2.gz GKHVEJGCXCHGKA-UHFFFAOYSA-N -1 0 408.530 3.144 50 0 HGAARM O=C([O-])CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002835318 558776512 /nfs/dbraw/zinc/77/65/12/558776512.db2.gz ZKRIIEHTPSLCAF-UHFFFAOYSA-N -1 0 418.696 3.378 50 0 HGAARM CN(c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000004953067 558781261 /nfs/dbraw/zinc/78/12/61/558781261.db2.gz BMWPWCPLVJIHIN-UHFFFAOYSA-N -1 0 410.451 3.462 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000016310631 558785337 /nfs/dbraw/zinc/78/53/37/558785337.db2.gz DPKWQEAELTUDQM-UHFFFAOYSA-N -1 0 424.478 3.455 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)[nH]n2)cc1 ZINC000032984965 558805360 /nfs/dbraw/zinc/80/53/60/558805360.db2.gz HSWXOSDIEOXYHC-UHFFFAOYSA-N -1 0 414.487 3.478 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000017082803 558815103 /nfs/dbraw/zinc/81/51/03/558815103.db2.gz GVEFGKUEHIHUSF-GJZGRUSLSA-N -1 0 404.264 3.299 50 0 HGAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000017090102 558818718 /nfs/dbraw/zinc/81/87/18/558818718.db2.gz DHCAANZPRVPCHA-OKILXGFUSA-N -1 0 414.574 3.216 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007155 558827953 /nfs/dbraw/zinc/82/79/53/558827953.db2.gz BGRUTNZKPMDGKM-AWEZNQCLSA-N -1 0 404.488 3.431 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(NC(C)=O)sc3c2)c1 ZINC000033007585 558828523 /nfs/dbraw/zinc/82/85/23/558828523.db2.gz PSWZOVKKJKOPJO-UHFFFAOYSA-N -1 0 407.473 3.073 50 0 HGAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000013523622 558835995 /nfs/dbraw/zinc/83/59/95/558835995.db2.gz MOFBHNLIXPLLJY-GRTQGXPSSA-N -1 0 410.470 3.082 50 0 biogenic HGAARM CCOc1cc2[n-]c(=S)n(CCC(=O)NCc3ccco3)c(=O)c2cc1OCC ZINC000004657960 558872158 /nfs/dbraw/zinc/87/21/58/558872158.db2.gz GDLLQXCASMAJKB-UHFFFAOYSA-N -1 0 417.487 3.156 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2Br)ccc1OCC(=O)[O-] ZINC000058377251 558922548 /nfs/dbraw/zinc/92/25/48/558922548.db2.gz XPYUAMOPSBJCGT-UHFFFAOYSA-N -1 0 418.240 3.161 50 0 HGAARM O=C([O-])c1cc(-c2cccc3cnccc32)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000072141786 558929506 /nfs/dbraw/zinc/92/95/06/558929506.db2.gz KEKIZTNHBOEXTH-UHFFFAOYSA-N -1 0 414.508 3.338 50 0 HGAARM O=C([O-])c1cc(-c2cccc3cccnc32)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000072154550 558929814 /nfs/dbraw/zinc/92/98/14/558929814.db2.gz GEVDOCQRWPWZEN-UHFFFAOYSA-N -1 0 414.508 3.338 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cc(OC)c1OC ZINC000033262026 558930426 /nfs/dbraw/zinc/93/04/26/558930426.db2.gz HMQMXXDOCXRQTJ-UHFFFAOYSA-N -1 0 407.448 3.113 50 0 HGAARM NC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)ccc1F ZINC000033062641 558956276 /nfs/dbraw/zinc/95/62/76/558956276.db2.gz WUCUPYCJYXUGMM-UHFFFAOYSA-N -1 0 419.459 3.039 50 0 HGAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023158143 559022644 /nfs/dbraw/zinc/02/26/44/559022644.db2.gz DFWFTQWBUBMXID-KRWDZBQOSA-N -1 0 413.478 3.449 50 0 HGAARM O=C(NCCCc1ccccc1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693227 559187333 /nfs/dbraw/zinc/18/73/33/559187333.db2.gz DPQFHOZSPCXJGV-UHFFFAOYSA-N -1 0 407.542 3.368 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004884801 559196752 /nfs/dbraw/zinc/19/67/52/559196752.db2.gz CIIHYOATMIDWCT-UHFFFAOYSA-N -1 0 400.500 3.494 50 0 HGAARM O=C([O-])CCCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000004976785 559222016 /nfs/dbraw/zinc/22/20/16/559222016.db2.gz ACACIOVRJIBTPI-SSZFMOIBSA-N -1 0 404.850 3.465 50 0 HGAARM COC(=O)[N-]C(=O)c1c(C)c(C)sc1NC(=O)c1cc2ccccc2oc1=O ZINC000005145045 559252456 /nfs/dbraw/zinc/25/24/56/559252456.db2.gz HUJCQXJRDNYOQI-UHFFFAOYSA-N -1 0 400.412 3.220 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000005154709 559254494 /nfs/dbraw/zinc/25/44/94/559254494.db2.gz UHLCFQATMICHNX-UHFFFAOYSA-N -1 0 410.499 3.112 50 0 HGAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238923660 559271741 /nfs/dbraw/zinc/27/17/41/559271741.db2.gz PFJDIEDFCSXTMD-DZKIICNBSA-N -1 0 401.459 3.130 50 0 biogenic HGAARM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000003285252 560591600 /nfs/dbraw/zinc/59/16/00/560591600.db2.gz RRPHWCFWBWPEBC-INIZCTEOSA-N -1 0 411.863 3.011 50 0 HGAARM Cc1cc2oc(=O)cc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)c2cc1C ZINC000005574316 560623354 /nfs/dbraw/zinc/62/33/54/560623354.db2.gz KLBWIAGOXZQIKV-UHFFFAOYSA-N -1 0 401.440 3.138 50 0 HGAARM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc21 ZINC000017287022 560705845 /nfs/dbraw/zinc/70/58/45/560705845.db2.gz MBDQRHKQMVLEBW-UHFFFAOYSA-N -1 0 414.574 3.350 50 0 HGAARM O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000100848862 560759971 /nfs/dbraw/zinc/75/99/71/560759971.db2.gz SOENXTDVYFRIHY-HIFRSBDPSA-N -1 0 405.635 3.395 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101072152 560770821 /nfs/dbraw/zinc/77/08/21/560770821.db2.gz QTJBTIZWOXAIGN-INIZCTEOSA-N -1 0 401.879 3.359 50 0 HGAARM COc1ccc(Br)cc1COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000018263493 560785715 /nfs/dbraw/zinc/78/57/15/560785715.db2.gz PQEGPFJTYOAAKK-UHFFFAOYSA-N -1 0 414.277 3.186 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c3=4)n2)cc1 ZINC000101277559 560790264 /nfs/dbraw/zinc/79/02/64/560790264.db2.gz VATKVPBORYPHSU-RBUKOAKNSA-N -1 0 416.441 3.155 50 0 HGAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)c([O-])[nH]c1=S ZINC000101456285 560795310 /nfs/dbraw/zinc/79/53/10/560795310.db2.gz YFDAALMWDKBKKS-MRXNPFEDSA-N -1 0 416.503 3.118 50 0 HGAARM COc1cccc(CNC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1 ZINC000101722647 560798921 /nfs/dbraw/zinc/79/89/21/560798921.db2.gz FXAAOWBJFDYCCQ-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCc3ccccc3)c([O-])c3cccnc32)c1 ZINC000101722522 560798938 /nfs/dbraw/zinc/79/89/38/560798938.db2.gz AWUXVVGHFAHSRE-UHFFFAOYSA-N -1 0 401.422 3.030 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000101723168 560799171 /nfs/dbraw/zinc/79/91/71/560799171.db2.gz KMTAVLZKRVHKFR-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccccc2F)cc1 ZINC000101802410 560802074 /nfs/dbraw/zinc/80/20/74/560802074.db2.gz XDCPRSCWVBOWKL-UHFFFAOYSA-N -1 0 421.432 3.111 50 0 HGAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccccc1OC ZINC000101835670 560803345 /nfs/dbraw/zinc/80/33/45/560803345.db2.gz SHAGYBCNXDAJBE-KRWDZBQOSA-N -1 0 420.425 3.136 50 0 HGAARM Cn1c(=O)c2ccc(C(=O)NCCc3ccc(Br)s3)cc2[n-]c1=S ZINC000102692780 560819918 /nfs/dbraw/zinc/81/99/18/560819918.db2.gz GEMITHOECFJYKO-UHFFFAOYSA-N -1 0 424.345 3.019 50 0 HGAARM Cc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)c(C)c1 ZINC000051316676 560856508 /nfs/dbraw/zinc/85/65/08/560856508.db2.gz YBEXAAONPBDLNG-UHFFFAOYSA-N -1 0 405.483 3.456 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000045967640 568422976 /nfs/dbraw/zinc/42/29/76/568422976.db2.gz BWXNLVWVZOFIFA-UHFFFAOYSA-N -1 0 415.421 3.055 50 0 HGAARM Cc1cc(C)nc([N-]c2nc(C(=O)N3CCN(c4ccccc4F)CC3)cs2)n1 ZINC000049032272 568445865 /nfs/dbraw/zinc/44/58/65/568445865.db2.gz KGAOXWYBVPYPKW-UHFFFAOYSA-N -1 0 412.494 3.395 50 0 HGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(O)c2)CC(=O)N3)c1 ZINC000049543262 568451171 /nfs/dbraw/zinc/45/11/71/568451171.db2.gz CAAZEFSCASHMMS-HNNXBMFYSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM O=C([O-])CC1(CNC(=O)Cn2cc(-c3ccc(Cl)cc3)ncc2=O)CCCCC1 ZINC000218404474 568479932 /nfs/dbraw/zinc/47/99/32/568479932.db2.gz AILOYBLRKXURNR-UHFFFAOYSA-N -1 0 417.893 3.105 50 0 HGAARM CSC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000008511420 568502196 /nfs/dbraw/zinc/50/21/96/568502196.db2.gz XEVACRKDGPGANH-OAHLLOKOSA-N -1 0 403.456 3.021 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)no1 ZINC000095447989 568612435 /nfs/dbraw/zinc/61/24/35/568612435.db2.gz JFEXPSKRVXIBOJ-UHFFFAOYSA-N -1 0 401.267 3.065 50 0 HGAARM CCCCCCn1c(=O)[nH]c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c1=O ZINC000020758666 568641721 /nfs/dbraw/zinc/64/17/21/568641721.db2.gz ZJYYXCXWQYQQEL-HXUWFJFHSA-N -1 0 410.518 3.271 50 0 biogenic HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3F)C2)c(OC)c1 ZINC000095945206 568663401 /nfs/dbraw/zinc/66/34/01/568663401.db2.gz QCKLFLCFVYQTLL-GOSISDBHSA-N -1 0 400.406 3.385 50 0 HGAARM O=C(NCc1noc(-c2cccc(Br)c2)n1)c1c([O-])cc(F)cc1F ZINC000225740430 568669874 /nfs/dbraw/zinc/66/98/74/568669874.db2.gz SDCFIGMKJSJLDJ-UHFFFAOYSA-N -1 0 410.174 3.413 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000021154506 568673413 /nfs/dbraw/zinc/67/34/13/568673413.db2.gz JBDWUDGARIKPBD-UHFFFAOYSA-N -1 0 419.547 3.468 50 0 HGAARM O=C([O-])c1ccccc1N=NC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000096558578 568697609 /nfs/dbraw/zinc/69/76/09/568697609.db2.gz ADLKPPOPFOLLBZ-UHFFFAOYSA-N -1 0 402.410 3.430 50 0 HGAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000005790748 568733622 /nfs/dbraw/zinc/73/36/22/568733622.db2.gz CWZAUFQFYQRMJU-UHFFFAOYSA-N -1 0 404.444 3.081 50 0 HGAARM CSc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000096361097 568739051 /nfs/dbraw/zinc/73/90/51/568739051.db2.gz OXOFLOUJNHEGDB-UHFFFAOYSA-N -1 0 402.501 3.493 50 0 HGAARM CSc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000096361207 568739098 /nfs/dbraw/zinc/73/90/98/568739098.db2.gz VOICPZLBSAHIIF-UHFFFAOYSA-N -1 0 406.464 3.324 50 0 HGAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578150 568770043 /nfs/dbraw/zinc/77/00/43/568770043.db2.gz MLTNTIGSUWUKQK-MRXNPFEDSA-N -1 0 407.490 3.064 50 0 HGAARM CC(C)NC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000299738172 568781404 /nfs/dbraw/zinc/78/14/04/568781404.db2.gz FVZDYNCBAGWVOA-UHFFFAOYSA-N -1 0 404.058 3.309 50 0 HGAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)Nc1ccc2c(c1)OCCO2 ZINC000002932318 568818455 /nfs/dbraw/zinc/81/84/55/568818455.db2.gz MKVCAJNXPPOLFX-UHFFFAOYSA-N -1 0 403.485 3.311 50 0 HGAARM COc1cc(OC)cc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034768174 568825904 /nfs/dbraw/zinc/82/59/04/568825904.db2.gz XIEFHVZCPFIGCD-CQSZACIVSA-N -1 0 408.458 3.071 50 0 HGAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000001210802 568825910 /nfs/dbraw/zinc/82/59/10/568825910.db2.gz LRESXRWKLNWOGX-FQEVSTJZSA-N -1 0 404.422 3.070 50 0 biogenic HGAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2F)cc1 ZINC000005938870 568830825 /nfs/dbraw/zinc/83/08/25/568830825.db2.gz WJRUKTQRTOHROU-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O)N1CCc2ccccc21 ZINC000002970851 568831752 /nfs/dbraw/zinc/83/17/52/568831752.db2.gz LIDDCWFSSQZZPP-MRXNPFEDSA-N -1 0 407.495 3.067 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C)on2)c1 ZINC000003226038 568864082 /nfs/dbraw/zinc/86/40/82/568864082.db2.gz LOBZSECMLBYBTE-UHFFFAOYSA-N -1 0 401.444 3.353 50 0 HGAARM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000084023054 568933108 /nfs/dbraw/zinc/93/31/08/568933108.db2.gz LMBCXAUKFZTNCG-SNVBAGLBSA-N -1 0 406.489 3.040 50 0 HGAARM COC(=O)c1ccc(NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2cccs2)cc1 ZINC000004092817 568942402 /nfs/dbraw/zinc/94/24/02/568942402.db2.gz MRSRRGWWMKCDQV-GFCCVEGCSA-N -1 0 400.378 3.283 50 0 HGAARM CCc1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)[n-]2)c1 ZINC000004317367 568962629 /nfs/dbraw/zinc/96/26/29/568962629.db2.gz MCKAZYFCDYTYMO-UHFFFAOYSA-N -1 0 410.499 3.470 50 0 HGAARM COc1ccccc1-n1c(CNC(=O)COc2ccc(Cl)cc2)n[n-]c1=S ZINC000006414734 569046886 /nfs/dbraw/zinc/04/68/86/569046886.db2.gz WHGHCUCMGCQQMX-UHFFFAOYSA-N -1 0 404.879 3.287 50 0 HGAARM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000245239873 569055285 /nfs/dbraw/zinc/05/52/85/569055285.db2.gz GIRNNZHTRKWVQL-HBMCJLEFSA-N -1 0 414.417 3.436 50 0 HGAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)c1 ZINC000079014683 569064310 /nfs/dbraw/zinc/06/43/10/569064310.db2.gz OBECROCSBLEBJK-UHFFFAOYSA-N -1 0 420.668 3.396 50 0 HGAARM CC(C)=CCOc1ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc2c1C ZINC000006624213 569075512 /nfs/dbraw/zinc/07/55/12/569075512.db2.gz HBICPBGXMYDRNB-SFHVURJKSA-N -1 0 413.470 3.373 50 0 biogenic HGAARM CCOC(=O)[C@H]1CCCN([C@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000036104789 569092584 /nfs/dbraw/zinc/09/25/84/569092584.db2.gz IRBPUJOHULTFDG-SWLSCSKDSA-N -1 0 404.492 3.016 50 0 HGAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000064843232 569107096 /nfs/dbraw/zinc/10/70/96/569107096.db2.gz POGCHFOIROCUKN-UHFFFAOYSA-N -1 0 405.476 3.020 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)c1 ZINC000006784725 569121316 /nfs/dbraw/zinc/12/13/16/569121316.db2.gz LMAFISCSQBXGCK-UHFFFAOYSA-N -1 0 401.469 3.027 50 0 HGAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000064946780 569128501 /nfs/dbraw/zinc/12/85/01/569128501.db2.gz USQAEOWNVZDGHA-UHFFFAOYSA-N -1 0 408.501 3.198 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc(OC)c1 ZINC000006887658 569170828 /nfs/dbraw/zinc/17/08/28/569170828.db2.gz QGIKZOXUDLSCGD-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000006887828 569171449 /nfs/dbraw/zinc/17/14/49/569171449.db2.gz GYZZHCRASPFNIW-UHFFFAOYSA-N -1 0 402.428 3.497 50 0 HGAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000065183978 569191049 /nfs/dbraw/zinc/19/10/49/569191049.db2.gz ZAUBKDBKBSWIMU-UHFFFAOYSA-N -1 0 407.521 3.236 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2c(C)c(-c3nnc(C4CC4)o3)n(C)c2C)c1 ZINC000065186542 569192052 /nfs/dbraw/zinc/19/20/52/569192052.db2.gz HCLSFGZDMGKQFP-UHFFFAOYSA-N -1 0 402.476 3.379 50 0 HGAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(OC)cc2C)n1 ZINC000065194581 569192747 /nfs/dbraw/zinc/19/27/47/569192747.db2.gz VVRXZRAGNVVDQG-UHFFFAOYSA-N -1 0 404.492 3.372 50 0 HGAARM COc1ccc(CNC(=O)CSc2ncnc3sc(C)c(C)c32)cc1C(=O)[O-] ZINC000007007791 569199568 /nfs/dbraw/zinc/19/95/68/569199568.db2.gz SALUNCGCFCPLFY-UHFFFAOYSA-N -1 0 417.512 3.423 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241509 569204132 /nfs/dbraw/zinc/20/41/32/569204132.db2.gz TVRSIYHBPCHDBD-UHFFFAOYSA-N -1 0 411.439 3.273 50 0 HGAARM O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238901397 569227982 /nfs/dbraw/zinc/22/79/82/569227982.db2.gz LZFWSCFRJAHPJZ-SAABIXHNSA-N -1 0 419.481 3.071 50 0 HGAARM CC1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)(C(=O)[O-])CC1 ZINC000170592073 569240932 /nfs/dbraw/zinc/24/09/32/569240932.db2.gz HCSCNAYSRUTSGT-UHFFFAOYSA-N -1 0 407.264 3.054 50 0 HGAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccco1 ZINC000013576031 569256203 /nfs/dbraw/zinc/25/62/03/569256203.db2.gz SNKDMTQKMBKPQQ-PTNGSMBKSA-N -1 0 412.423 3.458 50 0 HGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H]1C(=O)[O-])oc1c3CCCC1 ZINC000002153854 569290165 /nfs/dbraw/zinc/29/01/65/569290165.db2.gz WRCINIAOTUHCRN-QGZVFWFLSA-N -1 0 409.438 3.345 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)O[C@H](C)C2 ZINC000017520644 569292490 /nfs/dbraw/zinc/29/24/90/569292490.db2.gz FYAJHQLZEUYGOG-GFCCVEGCSA-N -1 0 402.472 3.094 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(OC)cc1Cl ZINC000007709332 569301658 /nfs/dbraw/zinc/30/16/58/569301658.db2.gz SPZZYHBLFHNMQK-UHFFFAOYSA-N -1 0 410.879 3.285 50 0 HGAARM COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000002280570 569363798 /nfs/dbraw/zinc/36/37/98/569363798.db2.gz DMZJCOCVBFFQRU-BSKAQADGSA-N -1 0 410.470 3.082 50 0 biogenic HGAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c(F)cc1Cl ZINC000253424412 569368076 /nfs/dbraw/zinc/36/80/76/569368076.db2.gz FTSYRWIKPLQFTA-UHFFFAOYSA-N -1 0 417.842 3.474 50 0 HGAARM CC(C)(C)OC(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2ccccc2)CC1 ZINC000252496710 569387651 /nfs/dbraw/zinc/38/76/51/569387651.db2.gz PPKPDIBBZJEQEC-HNNXBMFYSA-N -1 0 415.519 3.139 50 0 HGAARM COc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1OC ZINC000013348687 569410992 /nfs/dbraw/zinc/41/09/92/569410992.db2.gz BGQJAHNQMFDDHN-UHFFFAOYSA-N -1 0 422.488 3.329 50 0 HGAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NN=c2[nH]cc(C(F)(F)F)cc2Cl)c1C ZINC000008851115 571126865 /nfs/dbraw/zinc/12/68/65/571126865.db2.gz RTCUEXNAXOIXAJ-UHFFFAOYSA-N -1 0 423.800 3.374 50 0 HGAARM COc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(C)C3=O)Nc3ccccc3S2)cc1 ZINC000008974849 571197830 /nfs/dbraw/zinc/19/78/30/571197830.db2.gz ZOCQHPYFXVNTJI-LXMVLSBBSA-N -1 0 409.467 3.307 50 0 HGAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2ccccc2C)c1=O ZINC000008994702 571208444 /nfs/dbraw/zinc/20/84/44/571208444.db2.gz DQYDWGPNRNFYTM-OAQYLSRUSA-N -1 0 416.481 3.401 50 0 biogenic HGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165628 571232486 /nfs/dbraw/zinc/23/24/86/571232486.db2.gz PIKIBBGAQDOCFY-UHFFFAOYSA-N -1 0 404.488 3.186 50 0 HGAARM O=C([O-])[C@H]1CC12CCN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)CC2 ZINC000069893336 571248632 /nfs/dbraw/zinc/24/86/32/571248632.db2.gz SWFSFKOXHRIQNI-MRXNPFEDSA-N -1 0 422.319 3.211 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc(OC)c1 ZINC000009684391 571279410 /nfs/dbraw/zinc/27/94/10/571279410.db2.gz XJWLBNBLEWWNLC-UHFFFAOYSA-N -1 0 421.519 3.076 50 0 HGAARM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CCO1 ZINC000009854247 571288413 /nfs/dbraw/zinc/28/84/13/571288413.db2.gz ZHHKZOQJCPIOIL-NSHDSACASA-N -1 0 400.909 3.063 50 0 HGAARM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CCO1 ZINC000009854245 571288442 /nfs/dbraw/zinc/28/84/42/571288442.db2.gz ZHHKZOQJCPIOIL-LLVKDONJSA-N -1 0 400.909 3.063 50 0 HGAARM C#CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000033932340 571316241 /nfs/dbraw/zinc/31/62/41/571316241.db2.gz PRUZJBBBBDOMOB-ATVHPVEESA-N -1 0 406.394 3.310 50 0 HGAARM COc1ccc(/C=C2/Oc3ccccc3N(CC(=O)[O-])C2=O)cc1Br ZINC000003029577 132261688 /nfs/dbraw/zinc/26/16/88/132261688.db2.gz YEHVZFYQIZRCBK-CXUHLZMHSA-N -1 0 404.216 3.309 50 0 HGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005099556 132301242 /nfs/dbraw/zinc/30/12/42/132301242.db2.gz HFZXULWHFZVRKN-UHFFFAOYSA-N -1 0 404.463 3.324 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)cc1 ZINC000006779703 132315796 /nfs/dbraw/zinc/31/57/96/132315796.db2.gz DMFMZLCRPYZBQO-UHFFFAOYSA-N -1 0 410.879 3.285 50 0 HGAARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c1 ZINC000009015677 132335018 /nfs/dbraw/zinc/33/50/18/132335018.db2.gz GRYSOAFXYIUDCT-JOCHJYFZSA-N -1 0 409.442 3.114 50 0 HGAARM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000032081200 519038945 /nfs/dbraw/zinc/03/89/45/519038945.db2.gz WSBGHVJCVDZJLE-AWEZNQCLSA-N -1 0 416.499 3.222 50 0 HGAARM CC(C)[C@@H](NC(=O)Cc1csc([N-]S(C)(=O)=O)n1)c1ccc(Cl)cc1 ZINC000032903604 519797233 /nfs/dbraw/zinc/79/72/33/519797233.db2.gz KBGVBSZSATWTMM-OAHLLOKOSA-N -1 0 401.941 3.224 50 0 HGAARM C[C@H]1C[C@@H](OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 ZINC000032895917 524822262 /nfs/dbraw/zinc/82/22/62/524822262.db2.gz CCMSOLIOPFVCLX-MEDUHNTESA-N -1 0 409.847 3.002 50 0 HGAARM COc1cccc(-c2nc(/C=C3/C(=O)N(CC(=O)[O-])C(=O)c4ccccc43)cs2)c1 ZINC000032741443 525719810 /nfs/dbraw/zinc/71/98/10/525719810.db2.gz NGAJXBVVEWUSJV-VCHYOVAHSA-N -1 0 420.446 3.426 50 0 HGAARM NC(=O)c1c(SCc2ccc(Br)cc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040268498 527020021 /nfs/dbraw/zinc/02/00/21/527020021.db2.gz HZECDOQZUPTOOP-UHFFFAOYSA-N -1 0 411.302 3.449 50 0 HGAARM CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1 ZINC000000956491 557126409 /nfs/dbraw/zinc/12/64/09/557126409.db2.gz MBUXEGUOLZAIGI-UHFFFAOYSA-N -1 0 411.483 3.462 50 0 HGAARM COC(=O)c1scc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1C(=O)OC ZINC000001027097 557145340 /nfs/dbraw/zinc/14/53/40/557145340.db2.gz KEZCBQYIKWNKPX-UHFFFAOYSA-N -1 0 424.283 3.429 50 0 HGAARM COC(OC)c1nc(SCC(=O)Nc2ccc(C(C)C)cc2)ncc1C(=O)[O-] ZINC000001035766 557150583 /nfs/dbraw/zinc/15/05/83/557150583.db2.gz WWCFZQJGMZNABW-UHFFFAOYSA-N -1 0 405.476 3.320 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1I ZINC000001110643 557183185 /nfs/dbraw/zinc/18/31/85/557183185.db2.gz BYQJKIBSAJNBTJ-UHFFFAOYSA-N -1 0 419.240 3.109 50 0 HGAARM COC(=O)CN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2[O-])C1=O ZINC000001137510 557202093 /nfs/dbraw/zinc/20/20/93/557202093.db2.gz BVGUJKJDIWVWAO-OQFOIZHKSA-N -1 0 406.641 3.017 50 0 HGAARM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2[N-]C(=O)c2ccco2)cc1 ZINC000001156562 557214394 /nfs/dbraw/zinc/21/43/94/557214394.db2.gz AGBGWNKMQBYXEH-QFIPXVFZSA-N -1 0 422.437 3.125 50 0 HGAARM CCOC(=O)c1ccc(N[C@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000001248455 557251400 /nfs/dbraw/zinc/25/14/00/557251400.db2.gz QNHAAQLRLRPPBH-INIZCTEOSA-N -1 0 414.439 3.195 50 0 HGAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NC[C@@H]4CCCO4)c(Cl)c1=O)(C3)C2 ZINC000002348191 557338983 /nfs/dbraw/zinc/33/89/83/557338983.db2.gz DVBMTEUIDSJCBO-HFQCRRRSSA-N -1 0 421.925 3.258 50 0 HGAARM CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)[O-])N(C)C2=S)cc1 ZINC000002819469 557395703 /nfs/dbraw/zinc/39/57/03/557395703.db2.gz XFVJWFSAIMWNFC-ATVHPVEESA-N -1 0 412.467 3.153 50 0 HGAARM O=C(CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O)NC1CC1 ZINC000034763124 557460485 /nfs/dbraw/zinc/46/04/85/557460485.db2.gz HGPYAZSRXFWPPE-UHFFFAOYSA-N -1 0 408.433 3.174 50 0 HGAARM COc1cc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)ccc1OCC(C)C ZINC000034767257 557462380 /nfs/dbraw/zinc/46/23/80/557462380.db2.gz GZUJHWNRCIJNMA-UHFFFAOYSA-N -1 0 416.522 3.383 50 0 HGAARM CCOC(=O)c1ccc(CN2C(=O)S[C@H](Nc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000004271907 557534332 /nfs/dbraw/zinc/53/43/32/557534332.db2.gz RGTMKFONKNOYBC-INIZCTEOSA-N -1 0 414.439 3.195 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)n1 ZINC000004750327 557592740 /nfs/dbraw/zinc/59/27/40/557592740.db2.gz SYRKPNLDLLZCAD-HNNXBMFYSA-N -1 0 415.302 3.108 50 0 HGAARM O=C(CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccc(F)cc1 ZINC000005154711 557638273 /nfs/dbraw/zinc/63/82/73/557638273.db2.gz ZDYHICASSACDLA-UHFFFAOYSA-N -1 0 404.854 3.279 50 0 HGAARM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000006564145 557708190 /nfs/dbraw/zinc/70/81/90/557708190.db2.gz PEMHOAIHPQJNIM-RTWAWAEBSA-N -1 0 422.481 3.235 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)no1 ZINC000006858615 557727054 /nfs/dbraw/zinc/72/70/54/557727054.db2.gz ARMZWJZGWOHBIP-HNNXBMFYSA-N -1 0 415.471 3.498 50 0 HGAARM Cc1ccc(CNC(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975226 557776787 /nfs/dbraw/zinc/77/67/87/557776787.db2.gz USGBGXWPPRWQSI-UHFFFAOYSA-N -1 0 411.483 3.193 50 0 HGAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2OC)n(-c2ccccc2)c1=O ZINC000009327347 557837224 /nfs/dbraw/zinc/83/72/24/557837224.db2.gz HDWIMGHMDNPIDP-UHFFFAOYSA-N -1 0 411.483 3.240 50 0 HGAARM COC(=O)c1cc(CNC(=O)C(C)C)cc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000012246667 558361596 /nfs/dbraw/zinc/36/15/96/558361596.db2.gz GJFBCOJIOBHZMU-UHFFFAOYSA-N -1 0 424.906 3.200 50 0 HGAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000020725913 558404638 /nfs/dbraw/zinc/40/46/38/558404638.db2.gz KPIMMZFUFQUWGO-GFCCVEGCSA-N -1 0 409.305 3.438 50 0 HGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000004354621 558439972 /nfs/dbraw/zinc/43/99/72/558439972.db2.gz FJDPOXQATMHOIG-ZDLGFXPLSA-N -1 0 410.380 3.257 50 0 HGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000004354666 558440096 /nfs/dbraw/zinc/44/00/96/558440096.db2.gz PUDCGJJTJIMYNZ-ODLFYWEKSA-N -1 0 406.417 3.427 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(N3CCCC3=O)cc1)O[C@H](C)C2 ZINC000021900848 558454766 /nfs/dbraw/zinc/45/47/66/558454766.db2.gz JIVCQFICONQERS-CQSZACIVSA-N -1 0 416.499 3.336 50 0 HGAARM CC(=O)c1ccc(C(=O)[N-]N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 ZINC000013114504 558515880 /nfs/dbraw/zinc/51/58/80/558515880.db2.gz UZGMGQNTSQQPEF-UHFFFAOYSA-N -1 0 419.462 3.091 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2s1 ZINC000013692326 558573762 /nfs/dbraw/zinc/57/37/62/558573762.db2.gz LENDVCBTSGMVEJ-UHFFFAOYSA-N -1 0 414.512 3.122 50 0 HGAARM O=C(NCc1ccccn1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013692602 558573941 /nfs/dbraw/zinc/57/39/41/558573941.db2.gz HGQCUPRQAOBYEX-UHFFFAOYSA-N -1 0 424.507 3.422 50 0 HGAARM CCOC(=O)c1cccc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013719993 558581260 /nfs/dbraw/zinc/58/12/60/558581260.db2.gz IPBSPALQZQCWGO-UHFFFAOYSA-N -1 0 419.484 3.097 50 0 HGAARM O=C([O-])c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000013805788 558595000 /nfs/dbraw/zinc/59/50/00/558595000.db2.gz WDMCEWNAISSDKL-PWRODBHTSA-N -1 0 414.417 3.436 50 0 HGAARM CCOC(=O)c1cnn(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)c1C ZINC000024578136 558601589 /nfs/dbraw/zinc/60/15/89/558601589.db2.gz LWKDVRHAPSQFFY-UHFFFAOYSA-N -1 0 421.425 3.436 50 0 HGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000004483855 558603155 /nfs/dbraw/zinc/60/31/55/558603155.db2.gz NPFMXYGODPVCEH-RTWAWAEBSA-N -1 0 419.485 3.359 50 0 HGAARM O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(Br)cc(Br)c1[O-] ZINC000025763277 558649172 /nfs/dbraw/zinc/64/91/72/558649172.db2.gz RJYICZQJKGSPBU-UHFFFAOYSA-N -1 0 411.053 3.468 50 0 HGAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1 ZINC000026535138 558662749 /nfs/dbraw/zinc/66/27/49/558662749.db2.gz QUDDCCHKOOMREB-UHFFFAOYSA-N -1 0 408.863 3.054 50 0 HGAARM O=C(CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O)N1CCCC1 ZINC000015228956 558728933 /nfs/dbraw/zinc/72/89/33/558728933.db2.gz OKRNSEWULQHHQZ-GHXNOFRVSA-N -1 0 401.271 3.358 50 0 HGAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 ZINC000030531488 558731734 /nfs/dbraw/zinc/73/17/34/558731734.db2.gz UXVBWKPZYLIMFM-SFHVURJKSA-N -1 0 411.483 3.462 50 0 HGAARM COc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016513919 558795067 /nfs/dbraw/zinc/79/50/67/558795067.db2.gz QOHALDFUNWVZMS-UHFFFAOYSA-N -1 0 417.874 3.331 50 0 HGAARM Cc1ccc(NC(=O)c2c(NC(=O)COCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017082421 558814598 /nfs/dbraw/zinc/81/45/98/558814598.db2.gz IRBGDNLWDNLRIC-UHFFFAOYSA-N -1 0 402.472 3.227 50 0 HGAARM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[n-]1 ZINC000072312532 558837742 /nfs/dbraw/zinc/83/77/42/558837742.db2.gz GPAJIFLDZGKZDF-OCCSQVGLSA-N -1 0 410.474 3.268 50 0 HGAARM O=C([O-])[C@@H]1CCCN1C1(c2nnnn2-c2ccc(Br)cc2)CCCCC1 ZINC000004604018 558847348 /nfs/dbraw/zinc/84/73/48/558847348.db2.gz GQTLSHDMQBYULM-HNNXBMFYSA-N -1 0 420.311 3.133 50 0 HGAARM O=C([O-])[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)c1ccccc1 ZINC000049548438 558850203 /nfs/dbraw/zinc/85/02/03/558850203.db2.gz HHWVUONLFLPCLP-HSZRJFAPSA-N -1 0 413.433 3.006 50 0 HGAARM CCOC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325230 558862020 /nfs/dbraw/zinc/86/20/20/558862020.db2.gz XFRIUQMLILGCBB-INIZCTEOSA-N -1 0 418.449 3.171 50 0 biogenic HGAARM O=C([O-])c1cc(-c2ccc(F)c(CO)c2)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071754535 558909531 /nfs/dbraw/zinc/90/95/31/558909531.db2.gz LSADMGIYKIYGQF-UHFFFAOYSA-N -1 0 407.463 3.248 50 0 HGAARM CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000060376739 558942349 /nfs/dbraw/zinc/94/23/49/558942349.db2.gz RQZMMMZKPAKDPO-UHFFFAOYSA-N -1 0 408.501 3.422 50 0 HGAARM CCc1cc(OS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)ccc1Cl ZINC000060380548 558942941 /nfs/dbraw/zinc/94/29/41/558942941.db2.gz SMYGDNLNRBTXCV-UHFFFAOYSA-N -1 0 407.872 3.181 50 0 HGAARM O=C([O-])[C@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)c1ccccc1 ZINC000061718527 558946279 /nfs/dbraw/zinc/94/62/79/558946279.db2.gz CLKMMBIMPPIPID-HSZRJFAPSA-N -1 0 413.433 3.006 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000097940853 558946885 /nfs/dbraw/zinc/94/68/85/558946885.db2.gz TVMVFQNKJIPVEO-UHFFFAOYSA-N -1 0 418.450 3.154 50 0 HGAARM O=C(O[C@@H]1CCOC1=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000011255012 559014614 /nfs/dbraw/zinc/01/46/14/559014614.db2.gz YCFIHXGDRPOIKF-MRXNPFEDSA-N -1 0 417.464 3.174 50 0 HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(N(C)C)nc(C)n2)cc1 ZINC000033326852 559059484 /nfs/dbraw/zinc/05/94/84/559059484.db2.gz GTLZLKCWAJRUDO-UHFFFAOYSA-N -1 0 402.480 3.000 50 0 HGAARM Cn1c2cc(S(=O)(=O)[N-]c3ccccc3-c3cn4c(n3)CCCC4)ccc2oc1=O ZINC000585150604 559060496 /nfs/dbraw/zinc/06/04/96/559060496.db2.gz WZJNKKUQYLXKEO-UHFFFAOYSA-N -1 0 424.482 3.132 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3ccccc3OC)cs2)cc1 ZINC000011693250 559187484 /nfs/dbraw/zinc/18/74/84/559187484.db2.gz BOHSARBMDKVELX-UHFFFAOYSA-N -1 0 419.484 3.213 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCCC(C)C)c3=O)c2c1 ZINC000004950997 559215850 /nfs/dbraw/zinc/21/58/50/559215850.db2.gz QSJKONYGEREOKW-UHFFFAOYSA-N -1 0 402.520 3.491 50 0 HGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O ZINC000245241027 559273018 /nfs/dbraw/zinc/27/30/18/559273018.db2.gz WLYWCBGRFRSDSW-ULQDDVLXSA-N -1 0 415.486 3.493 50 0 biogenic HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)c(C)c2)c1 ZINC000005329845 560565594 /nfs/dbraw/zinc/56/55/94/560565594.db2.gz HNZDYSYEQSOUCJ-UHFFFAOYSA-N -1 0 404.488 3.330 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc2ncsc2c1 ZINC000002633934 560586566 /nfs/dbraw/zinc/58/65/66/560586566.db2.gz YBPAKABJZJWHFE-UHFFFAOYSA-N -1 0 411.468 3.139 50 0 HGAARM CCOC(=O)[C@@]([N-]c1ccc(F)c(F)c1F)(NC(=O)CC(C)C)C(F)(F)F ZINC000005326156 560625890 /nfs/dbraw/zinc/62/58/90/560625890.db2.gz FOSFZRGIXWWKSH-OAHLLOKOSA-N -1 0 400.319 3.500 50 0 HGAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4ccccc4)c3)cn2n1 ZINC000011693554 560773632 /nfs/dbraw/zinc/77/36/32/560773632.db2.gz ZBRYODBSEALVFV-UHFFFAOYSA-N -1 0 410.455 3.214 50 0 HGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 ZINC000101298283 560791014 /nfs/dbraw/zinc/79/10/14/560791014.db2.gz MKQKBTRLUWMPBO-LJQANCHMSA-N -1 0 404.426 3.436 50 0 HGAARM COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccc(I)cc2)cc1 ZINC000101354931 560792286 /nfs/dbraw/zinc/79/22/86/560792286.db2.gz VEUJCUMYNJUMTP-UHFFFAOYSA-N -1 0 423.206 3.080 50 0 HGAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccccc3)C2)c([O-])[nH]c1=S ZINC000101495277 560796313 /nfs/dbraw/zinc/79/63/13/560796313.db2.gz IWEZOTWQYAZHNS-OAHLLOKOSA-N -1 0 400.504 3.499 50 0 HGAARM O=C(NCc1cc(F)cc(F)c1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722736 560798936 /nfs/dbraw/zinc/79/89/36/560798936.db2.gz LWTLJNNHCVGWDK-UHFFFAOYSA-N -1 0 421.403 3.359 50 0 HGAARM Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)Cc2ccc(Cl)cc2)c1 ZINC000101802299 560802110 /nfs/dbraw/zinc/80/21/10/560802110.db2.gz FCEFZNFUVUSRIB-UHFFFAOYSA-N -1 0 421.888 3.464 50 0 HGAARM COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4)cnn32)c1 ZINC000102820722 560829545 /nfs/dbraw/zinc/82/95/45/560829545.db2.gz IQLHNYNTGMQWPP-GOSISDBHSA-N -1 0 420.425 3.136 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1C ZINC000101277572 560851663 /nfs/dbraw/zinc/85/16/63/560851663.db2.gz ZCPKYOBRLXLVOM-OALUTQOASA-N -1 0 416.441 3.155 50 0 HGAARM O=c1c2ccccc2[n-]c(=S)n1CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000020154006 568590854 /nfs/dbraw/zinc/59/08/54/568590854.db2.gz TYVTZLRLUBELQH-UHFFFAOYSA-N -1 0 400.935 3.161 50 0 HGAARM O=S(=O)([N-]c1cnn(C[C@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000390827806 568591594 /nfs/dbraw/zinc/59/15/94/568591594.db2.gz KIWSIDKZJRQHFH-CQSZACIVSA-N -1 0 405.398 3.152 50 0 HGAARM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000095465020 568623146 /nfs/dbraw/zinc/62/31/46/568623146.db2.gz QXLSBYXUEBTOBD-UHFFFAOYSA-N -1 0 416.499 3.412 50 0 HGAARM COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1OC ZINC000225486790 568642017 /nfs/dbraw/zinc/64/20/17/568642017.db2.gz JJMFAQSVLSPQRT-MRXNPFEDSA-N -1 0 401.394 3.142 50 0 HGAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2cnc3ccccc3n2)C1 ZINC000225506163 568644430 /nfs/dbraw/zinc/64/44/30/568644430.db2.gz VFXAWUGEKSOCTJ-LJQANCHMSA-N -1 0 404.426 3.181 50 0 HGAARM CCCCn1c2nc(-c3ccc(C(=O)[O-])cc3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000095951443 568667850 /nfs/dbraw/zinc/66/78/50/568667850.db2.gz MBQODQFOZCZRJG-UHFFFAOYSA-N -1 0 418.453 3.100 50 0 HGAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3OC)C2)c1 ZINC000225848694 568680209 /nfs/dbraw/zinc/68/02/09/568680209.db2.gz BOPDHQLUSYWNPT-SFHVURJKSA-N -1 0 412.442 3.255 50 0 HGAARM CC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000096009478 568683701 /nfs/dbraw/zinc/68/37/01/568683701.db2.gz UMBGPMAFJBXLBQ-UHFFFAOYSA-N -1 0 423.292 3.043 50 0 HGAARM COc1cc(NC(=O)C[C@@H](CC(=O)[O-])c2cccs2)ccc1N1CCCC1=O ZINC000096024582 568685999 /nfs/dbraw/zinc/68/59/99/568685999.db2.gz XVGUBWCQFWJDLV-ZDUSSCGKSA-N -1 0 402.472 3.471 50 0 HGAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000096025673 568686392 /nfs/dbraw/zinc/68/63/92/568686392.db2.gz UOZVVKQWKGOUCD-UHFFFAOYSA-N -1 0 416.528 3.102 50 0 HGAARM CC(C)c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2)cc1 ZINC000096401282 568694427 /nfs/dbraw/zinc/69/44/27/568694427.db2.gz FKBURQGKOQAWEU-XGICHPGQSA-N -1 0 401.484 3.459 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(F)c(Cl)c2)cc1 ZINC000096361255 568739189 /nfs/dbraw/zinc/73/91/89/568739189.db2.gz VUAGFEGQCSLKLX-UHFFFAOYSA-N -1 0 422.869 3.241 50 0 HGAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000253497472 568754158 /nfs/dbraw/zinc/75/41/58/568754158.db2.gz BHQCQFFYRZLCQQ-BIDWWQRXSA-N -1 0 408.579 3.449 50 0 HGAARM Cc1cc(=O)n2nc(CN(C(=O)Cc3ccccc3)c3ccc(Cl)cc3)[n-]c2n1 ZINC000086066756 568755329 /nfs/dbraw/zinc/75/53/29/568755329.db2.gz KDBKXRIWWMRYDT-UHFFFAOYSA-N -1 0 407.861 3.155 50 0 HGAARM CC(=O)NC([N-]c1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000001066214 568766755 /nfs/dbraw/zinc/76/67/55/568766755.db2.gz ICVPCUFXHVJHCY-UHFFFAOYSA-N -1 0 403.348 3.095 50 0 HGAARM O=C(NC1CCC(O)CC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000002638887 568793010 /nfs/dbraw/zinc/79/30/10/568793010.db2.gz QJEHZMCSFNOABG-UHFFFAOYSA-N -1 0 414.936 3.236 50 0 HGAARM COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000003285931 568852110 /nfs/dbraw/zinc/85/21/10/568852110.db2.gz STKLWTZKPJHFQA-UHFFFAOYSA-N -1 0 403.485 3.134 50 0 HGAARM CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012557012 568856020 /nfs/dbraw/zinc/85/60/20/568856020.db2.gz YGJHNDHMACIJBD-UHFFFAOYSA-N -1 0 423.343 3.481 50 0 HGAARM CN1C(=O)N[C@H](c2ccc(F)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012560859 568858158 /nfs/dbraw/zinc/85/81/58/568858158.db2.gz LWGIRDKQTGACFI-WOSRLPQWSA-N -1 0 402.369 3.333 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCCC3)cc2)no1 ZINC000003313599 568878898 /nfs/dbraw/zinc/87/88/98/568878898.db2.gz MPCDESRVSXRVCQ-UHFFFAOYSA-N -1 0 422.532 3.177 50 0 HGAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000003341276 568883639 /nfs/dbraw/zinc/88/36/39/568883639.db2.gz FQHUNWCECLJQFJ-UHFFFAOYSA-N -1 0 403.504 3.046 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000003427098 568900551 /nfs/dbraw/zinc/90/05/51/568900551.db2.gz ZUFFWHASOZOLTO-QMIHWGKISA-N -1 0 400.450 3.302 50 0 HGAARM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])c2ccccc2oc1=O ZINC000217784406 568912061 /nfs/dbraw/zinc/91/20/61/568912061.db2.gz OJVWRVQUXVTQNY-AWEZNQCLSA-N -1 0 414.410 3.219 50 0 biogenic HGAARM Cc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OCC(=O)[O-] ZINC000058377266 568914956 /nfs/dbraw/zinc/91/49/56/568914956.db2.gz RRUVINMSLPEPLA-UHFFFAOYSA-N -1 0 400.250 3.022 50 0 HGAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCN(Cc1ccccc1)C2 ZINC000004143406 568916203 /nfs/dbraw/zinc/91/62/03/568916203.db2.gz QUWAIYAGJNTNHP-CMDGGOBGSA-N -1 0 414.483 3.062 50 0 HGAARM COc1cc(F)c(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1OC ZINC000083919954 568926521 /nfs/dbraw/zinc/92/65/21/568926521.db2.gz HLECTISUGBANME-UHFFFAOYSA-N -1 0 407.778 3.134 50 0 HGAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000004082997 568939329 /nfs/dbraw/zinc/93/93/29/568939329.db2.gz DTUWAOUONNXFTO-KRWDZBQOSA-N -1 0 402.491 3.031 50 0 biogenic HGAARM COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004194581 568951150 /nfs/dbraw/zinc/95/11/50/568951150.db2.gz CKULKANOCVZWHY-GOSISDBHSA-N -1 0 412.442 3.255 50 0 HGAARM Cc1cccc(-c2nnc(S[C@@H](C(N)=O)c3ccc(F)cc3)n2CCC(=O)[O-])c1 ZINC000012779066 568956313 /nfs/dbraw/zinc/95/63/13/568956313.db2.gz KSWOGTCNQYSMOF-QGZVFWFLSA-N -1 0 414.462 3.186 50 0 HGAARM Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cn21 ZINC000007990361 568966802 /nfs/dbraw/zinc/96/68/02/568966802.db2.gz MAEPBFAHFLDSOR-UHFFFAOYSA-N -1 0 413.484 3.152 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)cc1 ZINC000038487663 568997399 /nfs/dbraw/zinc/99/73/99/568997399.db2.gz WQBWYPVUBVVEAL-RTBURBONSA-N -1 0 416.441 3.155 50 0 HGAARM COc1ccc(Cc2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)cc1 ZINC000008391827 568998456 /nfs/dbraw/zinc/99/84/56/568998456.db2.gz DJJFBOSMWAWMNR-CQSZACIVSA-N -1 0 400.485 3.140 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004535735 569012514 /nfs/dbraw/zinc/01/25/14/569012514.db2.gz ARWIWKBRNYMFJM-UXPWSPDFSA-N -1 0 412.486 3.140 50 0 HGAARM Cc1ccn2c(=O)cc(COc3ccccc3[N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000015865432 569016604 /nfs/dbraw/zinc/01/66/04/569016604.db2.gz HASFLLKLZXEHCV-UHFFFAOYSA-N -1 0 421.478 3.383 50 0 HGAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000012901670 569020850 /nfs/dbraw/zinc/02/08/50/569020850.db2.gz RKAINKLEGYCBEY-MRXNPFEDSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM O=C(NCc1cccnc1)c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000006188210 569029645 /nfs/dbraw/zinc/02/96/45/569029645.db2.gz ZIXQYWXGUYMJAX-UHFFFAOYSA-N -1 0 408.508 3.494 50 0 HGAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000035397503 569034913 /nfs/dbraw/zinc/03/49/13/569034913.db2.gz XZDJKOZJLJCOFJ-UHFFFAOYSA-N -1 0 413.446 3.485 50 0 HGAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CCCCCCC1 ZINC000035397581 569034933 /nfs/dbraw/zinc/03/49/33/569034933.db2.gz KJAILRSKBNWJGA-UHFFFAOYSA-N -1 0 407.467 3.490 50 0 HGAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1)N1CCCCCC1 ZINC000035405493 569035851 /nfs/dbraw/zinc/03/58/51/569035851.db2.gz VYDHUSIOLKIWQS-UHFFFAOYSA-N -1 0 422.528 3.336 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c(OC)c1 ZINC000035504530 569040805 /nfs/dbraw/zinc/04/08/05/569040805.db2.gz CBBZMKHCJJYBER-UHFFFAOYSA-N -1 0 422.528 3.353 50 0 HGAARM CC1=C(CC(=O)NCC(=O)[O-])c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000102674486 569041236 /nfs/dbraw/zinc/04/12/36/569041236.db2.gz YHIPTYHDOZQZLO-HTEZSZNVSA-N -1 0 413.470 3.482 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)cc1 ZINC000035557070 569044705 /nfs/dbraw/zinc/04/47/05/569044705.db2.gz TZBGIBDEXFBAAW-UHFFFAOYSA-N -1 0 405.457 3.263 50 0 HGAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000054294828 569070046 /nfs/dbraw/zinc/07/00/46/569070046.db2.gz LTBDKSDDJJJOBL-UHFFFAOYSA-N -1 0 414.277 3.194 50 0 HGAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N[C@@H](C)COC)cc1 ZINC000006653278 569082494 /nfs/dbraw/zinc/08/24/94/569082494.db2.gz CLHRPSHQPCSYCJ-AWEZNQCLSA-N -1 0 416.503 3.276 50 0 HGAARM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCCC1=CCCCC1 ZINC000006653678 569082620 /nfs/dbraw/zinc/08/26/20/569082620.db2.gz QUBYSLHLKJKQTQ-UHFFFAOYSA-N -1 0 409.515 3.208 50 0 HGAARM Cc1cc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000006729463 569102741 /nfs/dbraw/zinc/10/27/41/569102741.db2.gz RSCSQECSIOPVKF-LEWJYISDSA-N -1 0 419.485 3.161 50 0 HGAARM CCN(C)C1=C(c2c(C)[n-]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2F)C1=O ZINC000006774218 569118304 /nfs/dbraw/zinc/11/83/04/569118304.db2.gz MNTPLJVOABXBKQ-UHFFFAOYSA-N -1 0 420.444 3.262 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1 ZINC000064920245 569121146 /nfs/dbraw/zinc/12/11/46/569121146.db2.gz QHFXYUHOOXVMPY-UHFFFAOYSA-N -1 0 407.473 3.494 50 0 HGAARM CCN1CC[NH+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036353124 569147542 /nfs/dbraw/zinc/14/75/42/569147542.db2.gz YYHIJXYAODLUGM-QFIPXVFZSA-N -1 0 421.497 3.151 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1 ZINC000006866562 569159154 /nfs/dbraw/zinc/15/91/54/569159154.db2.gz VHJBJTYNMPIEDU-CYBMUJFWSA-N -1 0 416.499 3.192 50 0 HGAARM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000065116642 569179872 /nfs/dbraw/zinc/17/98/72/569179872.db2.gz KYNOEOQOAQFVRX-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM CCc1ccc(CNC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1 ZINC000065249917 569205962 /nfs/dbraw/zinc/20/59/62/569205962.db2.gz AXOOGKUCDOPHCS-UHFFFAOYSA-N -1 0 402.454 3.220 50 0 HGAARM C[C@H](NC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O)c1ccc(F)cc1 ZINC000065249888 569205967 /nfs/dbraw/zinc/20/59/67/569205967.db2.gz RRLONWIMHBRIGJ-ZDUSSCGKSA-N -1 0 406.417 3.109 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2C(N)=O)cc1Cl ZINC000170591232 569240574 /nfs/dbraw/zinc/24/05/74/569240574.db2.gz LIPQNGYRZIFYGV-UHFFFAOYSA-N -1 0 423.922 3.239 50 0 HGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3F)C2)c1 ZINC000170615663 569247312 /nfs/dbraw/zinc/24/73/12/569247312.db2.gz MDGBFGCHEKTSNL-IBGZPJMESA-N -1 0 400.406 3.385 50 0 HGAARM O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000001165443 569277475 /nfs/dbraw/zinc/27/74/75/569277475.db2.gz IHXYZCZTCZHLAD-QGZVFWFLSA-N -1 0 413.543 3.485 50 0 HGAARM O=C(CSc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)NC1CCCCC1 ZINC000006706839 569280135 /nfs/dbraw/zinc/28/01/35/569280135.db2.gz GRYOBXGPTSMTJZ-UHFFFAOYSA-N -1 0 405.545 3.423 50 0 HGAARM Cc1c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000002097943 569281072 /nfs/dbraw/zinc/28/10/72/569281072.db2.gz HBHXXYDBAVCIIQ-VLIAUNLRSA-N -1 0 421.449 3.300 50 0 biogenic HGAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002105365 569282966 /nfs/dbraw/zinc/28/29/66/569282966.db2.gz WTWUMCLAIXHOQK-CZUORRHYSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002117367 569284714 /nfs/dbraw/zinc/28/47/14/569284714.db2.gz YCCXTEZSQLIRGU-INIZCTEOSA-N -1 0 417.483 3.248 50 0 biogenic HGAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000007728521 569303662 /nfs/dbraw/zinc/30/36/62/569303662.db2.gz JNOGHNPXZVHORF-GOSISDBHSA-N -1 0 414.527 3.275 50 0 HGAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000007779686 569309361 /nfs/dbraw/zinc/30/93/61/569309361.db2.gz RAJCZANEIZCEBN-UHFFFAOYSA-N -1 0 418.515 3.298 50 0 HGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)c1 ZINC000066087483 569314310 /nfs/dbraw/zinc/31/43/10/569314310.db2.gz UIHDMZNZCXTTHP-OAHLLOKOSA-N -1 0 406.394 3.387 50 0 HGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)c1 ZINC000066087481 569314320 /nfs/dbraw/zinc/31/43/20/569314320.db2.gz UIHDMZNZCXTTHP-HNNXBMFYSA-N -1 0 406.394 3.387 50 0 HGAARM Cc1nn(-c2nnc(C)c(=O)[n-]2)c(C)c1SCC(=O)Nc1cccc(Cl)c1C ZINC000027756643 569393200 /nfs/dbraw/zinc/39/32/00/569393200.db2.gz XDWYDJWGKBPFNA-UHFFFAOYSA-N -1 0 418.910 3.381 50 0 HGAARM CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCC3(CC(=O)[O-])CCCCC3)cc2O1 ZINC000012891577 569404569 /nfs/dbraw/zinc/40/45/69/569404569.db2.gz UQOVIMOWIFBSSG-UHFFFAOYSA-N -1 0 419.474 3.056 50 0 biogenic HGAARM COC(=O)c1cccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013348866 569410988 /nfs/dbraw/zinc/41/09/88/569410988.db2.gz ZEZSZMNWYIBDRJ-UHFFFAOYSA-N -1 0 420.472 3.098 50 0 HGAARM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1I ZINC000013349961 569411004 /nfs/dbraw/zinc/41/10/04/569411004.db2.gz KLNJTZWRKJBQII-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2s1 ZINC000013348840 569411042 /nfs/dbraw/zinc/41/10/42/569411042.db2.gz FYSGGLNSTOOWAP-UHFFFAOYSA-N -1 0 406.445 3.041 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794493 571045185 /nfs/dbraw/zinc/04/51/85/571045185.db2.gz LFHIOOBWQJBUPB-AHRSYUTCSA-N -1 0 412.486 3.140 50 0 HGAARM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000008725725 571108218 /nfs/dbraw/zinc/10/82/18/571108218.db2.gz MIYOZTPCTIMCPV-UHFFFAOYSA-N -1 0 402.925 3.359 50 0 HGAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCCOc1cccc(Cl)c1 ZINC000040113645 571171592 /nfs/dbraw/zinc/17/15/92/571171592.db2.gz MXDFJNZTHAIJPX-UHFFFAOYSA-N -1 0 403.891 3.298 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)N1CCc2ccccc2C1 ZINC000008977596 571198164 /nfs/dbraw/zinc/19/81/64/571198164.db2.gz JAOBVHVMCCDPOH-UHFFFAOYSA-N -1 0 413.524 3.451 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1ccncc1 ZINC000008978794 571198249 /nfs/dbraw/zinc/19/82/49/571198249.db2.gz DBESHBHFTFLIAD-UHFFFAOYSA-N -1 0 422.919 3.231 50 0 HGAARM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cccc(NC(=O)C(C)C)c1 ZINC000040157227 571204018 /nfs/dbraw/zinc/20/40/18/571204018.db2.gz HULXHPMVHPNSNW-UHFFFAOYSA-N -1 0 417.531 3.363 50 0 HGAARM CCCn1nc([N-]S(=O)(=O)c2cccc3nonc32)c2cc3ccccc3nc21 ZINC000009361227 571251592 /nfs/dbraw/zinc/25/15/92/571251592.db2.gz KMEBFIMYLDPBGP-UHFFFAOYSA-N -1 0 408.443 3.332 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3n[nH]c4ccccc43)cc2)nc(C)n1 ZINC000009492289 571262873 /nfs/dbraw/zinc/26/28/73/571262873.db2.gz VRRPALITLVLEKE-UHFFFAOYSA-N -1 0 422.470 3.023 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(F)c3)c2)on1 ZINC000009637596 571275177 /nfs/dbraw/zinc/27/51/77/571275177.db2.gz DFTQFTDSADKKNS-UHFFFAOYSA-N -1 0 420.418 3.467 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684434 571279461 /nfs/dbraw/zinc/27/94/61/571279461.db2.gz VSRPBUCKZACRCG-UHFFFAOYSA-N -1 0 405.520 3.457 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)s2)on1 ZINC000009688770 571280142 /nfs/dbraw/zinc/28/01/42/571280142.db2.gz IOCUKZROVFBOOT-UHFFFAOYSA-N -1 0 408.457 3.389 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3OC)s2)on1 ZINC000009689001 571280200 /nfs/dbraw/zinc/28/02/00/571280200.db2.gz PERWRHHILGVADM-UHFFFAOYSA-N -1 0 408.457 3.389 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccccc1 ZINC000009828507 571286787 /nfs/dbraw/zinc/28/67/87/571286787.db2.gz MLFKODZOHCOCII-UHFFFAOYSA-N -1 0 421.931 3.456 50 0 HGAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000012180650 132356027 /nfs/dbraw/zinc/35/60/27/132356027.db2.gz GNKZHTQRKSXRPS-UHFFFAOYSA-N -1 0 414.936 3.243 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)[nH]n2)cc1 ZINC000032951072 521130779 /nfs/dbraw/zinc/13/07/79/521130779.db2.gz FIXNIRRGVNKKKQ-UHFFFAOYSA-N -1 0 422.413 3.140 50 0 HGAARM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)N2CCCC2)c1 ZINC000032833537 521989330 /nfs/dbraw/zinc/98/93/30/521989330.db2.gz VLRUXTCMQMZPQX-UHFFFAOYSA-N -1 0 416.499 3.127 50 0 HGAARM COc1ccc2c(c1)c(CC(=O)OCC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000601272 557018730 /nfs/dbraw/zinc/01/87/30/557018730.db2.gz FSQKKOOTNAMONP-UHFFFAOYSA-N -1 0 415.829 3.471 50 0 world HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)s1 ZINC000000652110 557039048 /nfs/dbraw/zinc/03/90/48/557039048.db2.gz WLBXDZBRZZIVDJ-UHFFFAOYSA-N -1 0 402.501 3.462 50 0 HGAARM C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000917508 557117872 /nfs/dbraw/zinc/11/78/72/557117872.db2.gz GPUZGMZMKUODHR-ZDUSSCGKSA-N -1 0 403.485 3.350 50 0 HGAARM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000917485 557117903 /nfs/dbraw/zinc/11/79/03/557117903.db2.gz MUBLVZHAPCJGIH-UHFFFAOYSA-N -1 0 418.862 3.192 50 0 HGAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1C ZINC000000938802 557120847 /nfs/dbraw/zinc/12/08/47/557120847.db2.gz XKRPVXCCINRLOM-LJQANCHMSA-N -1 0 400.500 3.376 50 0 HGAARM O=C([O-])c1cccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c1 ZINC000000974457 557128670 /nfs/dbraw/zinc/12/86/70/557128670.db2.gz BOCCMJUPRYCKBA-UHFFFAOYSA-N -1 0 412.357 3.354 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000002503356 557353050 /nfs/dbraw/zinc/35/30/50/557353050.db2.gz MSNQQXJNHWUXGF-YRSZXAOTSA-N -1 0 413.404 3.461 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000002503358 557353096 /nfs/dbraw/zinc/35/30/96/557353096.db2.gz MSNQQXJNHWUXGF-HRZAVBMWSA-N -1 0 413.404 3.461 50 0 HGAARM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000002688772 557368156 /nfs/dbraw/zinc/36/81/56/557368156.db2.gz HTQKTRHYHVGFNR-UHFFFAOYSA-N -1 0 403.485 3.270 50 0 HGAARM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(Cl)cc1Cl ZINC000002849858 557403897 /nfs/dbraw/zinc/40/38/97/557403897.db2.gz IQVVONPBCNGSFW-UHFFFAOYSA-N -1 0 417.270 3.194 50 0 HGAARM O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O)NCc1cccnc1 ZINC000034764125 557461399 /nfs/dbraw/zinc/46/13/99/557461399.db2.gz YTMPYGYUOKLKRV-UHFFFAOYSA-N -1 0 419.485 3.067 50 0 HGAARM Cc1ccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)cc1Cl ZINC000034767865 557462624 /nfs/dbraw/zinc/46/26/24/557462624.db2.gz UJNFXKSECSYQST-UHFFFAOYSA-N -1 0 412.877 3.334 50 0 HGAARM CC[C@@H]1CCCCN1C(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000005041927 557628878 /nfs/dbraw/zinc/62/88/78/557628878.db2.gz SPCUJPKUENIBDG-OAHLLOKOSA-N -1 0 405.549 3.239 50 0 HGAARM CC[C@H]1CCCCN1C(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000005041928 557628917 /nfs/dbraw/zinc/62/89/17/557628917.db2.gz SPCUJPKUENIBDG-HNNXBMFYSA-N -1 0 405.549 3.239 50 0 HGAARM COc1ccc(-n2c3nnc([S-])n3c3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000005563800 557662209 /nfs/dbraw/zinc/66/22/09/557662209.db2.gz NPERKAIJTVDRHO-UHFFFAOYSA-N -1 0 414.512 3.244 50 0 HGAARM O=C1c2ccccc2N[C@@H](c2nc3ccccc3[nH]2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000006278438 557697621 /nfs/dbraw/zinc/69/76/21/557697621.db2.gz NYOZDCONDLNBLT-HXUWFJFHSA-N -1 0 419.466 3.023 50 0 HGAARM COCCn1c(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2[n-]c1=S ZINC000002969737 557774864 /nfs/dbraw/zinc/77/48/64/557774864.db2.gz GIPHACCRECUDIU-UHFFFAOYSA-N -1 0 422.510 3.159 50 0 biogenic HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)no1 ZINC000008722772 557802428 /nfs/dbraw/zinc/80/24/28/557802428.db2.gz BEWKQBPKTUWRGG-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM CCCNC(=O)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1Cl ZINC000019879133 558300218 /nfs/dbraw/zinc/30/02/18/558300218.db2.gz DJNSGMKYHCBLHE-ZDUSSCGKSA-N -1 0 423.922 3.229 50 0 HGAARM CCn1c(=O)c2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc2[n-]c1=S ZINC000012815873 558475310 /nfs/dbraw/zinc/47/53/10/558475310.db2.gz IBGWKZCSKNNJKQ-UHFFFAOYSA-N -1 0 408.487 3.283 50 0 HGAARM O=c1c2ccccc2cnn1CCc1n[n-]c(=S)n1-c1cccc2ncccc21 ZINC000013552574 558539640 /nfs/dbraw/zinc/53/96/40/558539640.db2.gz CEGJAFGBLHYBSK-UHFFFAOYSA-N -1 0 400.467 3.431 50 0 HGAARM O=C1NCc2cccc([N-]S(=O)(=O)c3ccc(Br)cc3Cl)c21 ZINC000025044434 558627771 /nfs/dbraw/zinc/62/77/71/558627771.db2.gz DTQYFLOJDNTOBQ-UHFFFAOYSA-N -1 0 401.669 3.147 50 0 HGAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000004535016 558655201 /nfs/dbraw/zinc/65/52/01/558655201.db2.gz VYONVCDGRWSIPX-CAPFRKAQSA-N -1 0 410.470 3.227 50 0 biogenic HGAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1ccc(OC(F)F)cc1)N(C)C2=O ZINC000004563681 558733185 /nfs/dbraw/zinc/73/31/85/558733185.db2.gz GJDUIJFVQKHSFC-SJORKVTESA-N -1 0 407.369 3.300 50 0 HGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004580880 558767002 /nfs/dbraw/zinc/76/70/02/558767002.db2.gz RVXPZTWLZOPVLS-INIZCTEOSA-N -1 0 403.431 3.057 50 0 HGAARM CN(c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000004954043 558781343 /nfs/dbraw/zinc/78/13/43/558781343.db2.gz IXDSYEKEEMHNDV-UHFFFAOYSA-N -1 0 410.451 3.462 50 0 HGAARM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc2o1 ZINC000046303784 558806003 /nfs/dbraw/zinc/80/60/03/558806003.db2.gz PSLTUCQOQWXVSG-UHFFFAOYSA-N -1 0 416.503 3.490 50 0 HGAARM CCCCn1c(=O)c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c([O-])[nH]c1=S ZINC000017056332 558813293 /nfs/dbraw/zinc/81/32/93/558813293.db2.gz BYYAVTYYLLWXRL-RTBURBONSA-N -1 0 421.522 3.455 50 0 HGAARM CCc1cc2c([nH]c(=S)n([N-]C(=O)c3ccc(Br)o3)c2=O)s1 ZINC000017081814 558813705 /nfs/dbraw/zinc/81/37/05/558813705.db2.gz WCSSAQVTESRYDT-UHFFFAOYSA-N -1 0 400.279 3.422 50 0 HGAARM O=C([O-])COCC(=O)Nc1sccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017082600 558814827 /nfs/dbraw/zinc/81/48/27/558814827.db2.gz MPHOMZXPPFVOHL-UHFFFAOYSA-N -1 0 403.243 3.347 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)NC(C)(C)C)ccc2OC)cc1 ZINC000033040370 558869669 /nfs/dbraw/zinc/86/96/69/558869669.db2.gz BYOMFTRCNGUAMT-UHFFFAOYSA-N -1 0 407.492 3.425 50 0 HGAARM Cc1ccc(C(=O)Nc2nc3cc([N-]S(=O)(=O)c4c[nH]cn4)ccc3s2)cc1 ZINC000033116482 558877682 /nfs/dbraw/zinc/87/76/82/558877682.db2.gz VXHJRWTWOIDOHE-UHFFFAOYSA-N -1 0 413.484 3.381 50 0 HGAARM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1N1CCSCC1 ZINC000058366114 558922211 /nfs/dbraw/zinc/92/22/11/558922211.db2.gz WNIFEKHDMPRKHR-UHFFFAOYSA-N -1 0 414.455 3.017 50 0 HGAARM Cc1cc(Br)c([O-])c(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000058421626 558925794 /nfs/dbraw/zinc/92/57/94/558925794.db2.gz RPIIZDISRWZXGD-CYBMUJFWSA-N -1 0 411.340 3.476 50 0 HGAARM CN(C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)cn1 ZINC000072147216 558929428 /nfs/dbraw/zinc/92/94/28/558929428.db2.gz BXYMYTCPZUDKPT-UHFFFAOYSA-N -1 0 403.504 3.078 50 0 HGAARM O=C(c1nccc2ccccc21)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097123858 558995795 /nfs/dbraw/zinc/99/57/95/558995795.db2.gz OHMDNNVMUZISKN-UHFFFAOYSA-N -1 0 421.460 3.436 50 0 HGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000004742968 559044796 /nfs/dbraw/zinc/04/47/96/559044796.db2.gz CKQUERKZTZUUTQ-UHFFFAOYSA-N -1 0 401.802 3.048 50 0 HGAARM CCCC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC000098087293 559126793 /nfs/dbraw/zinc/12/67/93/559126793.db2.gz UJRWOTKNFKYDQM-RQUKQETFSA-N -1 0 414.546 3.189 50 0 HGAARM CCOC(=O)c1c([O-])c2cnc(-c3ccccc3)nc2n(Cc2ccccc2)c1=O ZINC000100227229 559132586 /nfs/dbraw/zinc/13/25/86/559132586.db2.gz FPSQFBLSEBYEOQ-UHFFFAOYSA-N -1 0 401.422 3.389 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NC5CC5)cc4)c3=O)c2c1 ZINC000100302873 559193734 /nfs/dbraw/zinc/19/37/34/559193734.db2.gz XTGWJMNUPAUGGM-UHFFFAOYSA-N -1 0 420.494 3.489 50 0 HGAARM O=C([O-])c1ccc(Nc2ncnc3ccc(I)cc32)cc1O ZINC000011906970 559266727 /nfs/dbraw/zinc/26/67/27/559266727.db2.gz RWMWLLLYWNWXJK-UHFFFAOYSA-N -1 0 407.167 3.382 50 0 HGAARM CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238899995 559271548 /nfs/dbraw/zinc/27/15/48/559271548.db2.gz HOGNSHPIFOIKIO-ZOBUZTSGSA-N -1 0 415.486 3.438 50 0 biogenic HGAARM CCC[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000170592177 560539676 /nfs/dbraw/zinc/53/96/76/560539676.db2.gz OSXQEYQWWAIKNY-MOPGFXCFSA-N -1 0 416.905 3.441 50 0 HGAARM COc1cc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(C)c2)cc(OC)c1OC ZINC000005659654 560639577 /nfs/dbraw/zinc/63/95/77/560639577.db2.gz IAOPAKQQYJOMDP-UHFFFAOYSA-N -1 0 414.487 3.194 50 0 HGAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000017208977 560704048 /nfs/dbraw/zinc/70/40/48/560704048.db2.gz BJKHFYAHOCZAGG-CQSZACIVSA-N -1 0 402.451 3.161 50 0 HGAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(F)cc2)S1 ZINC000018038173 560773414 /nfs/dbraw/zinc/77/34/14/560773414.db2.gz YLXRXBASOYSAAM-INIZCTEOSA-N -1 0 402.403 3.161 50 0 HGAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000018086741 560775151 /nfs/dbraw/zinc/77/51/51/560775151.db2.gz ZASFLYPBFPIUCE-AWEZNQCLSA-N -1 0 422.441 3.270 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000101166062 560787321 /nfs/dbraw/zinc/78/73/21/560787321.db2.gz WFOWWIKOAMPKDP-SFTDATJTSA-N -1 0 419.485 3.304 50 0 HGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000101262249 560789995 /nfs/dbraw/zinc/78/99/95/560789995.db2.gz FMEDRQKPBODNSC-MOPGFXCFSA-N -1 0 416.441 3.353 50 0 HGAARM COc1ccccc1N1C(=O)[N-]C(=O)C(=C(O)C=Cc2c[nH]c3ccccc23)C1=O ZINC000101369802 560792899 /nfs/dbraw/zinc/79/28/99/560792899.db2.gz CTEVERMZFREHRJ-FVZMSGPBSA-N -1 0 403.394 3.285 50 0 HGAARM Cc1ccccc1CNC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722560 560798926 /nfs/dbraw/zinc/79/89/26/560798926.db2.gz PYEVJWXEVJJUNX-UHFFFAOYSA-N -1 0 403.413 3.469 50 0 HGAARM COc1cccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)c1 ZINC000101722869 560799021 /nfs/dbraw/zinc/79/90/21/560799021.db2.gz JYQSLDVBQYZTKK-UHFFFAOYSA-N -1 0 401.422 3.411 50 0 HGAARM CC(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1 ZINC000101762678 560800661 /nfs/dbraw/zinc/80/06/61/560800661.db2.gz ANNCBTOIZUWORJ-QGZVFWFLSA-N -1 0 424.888 3.447 50 0 HGAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(F)cc2)cc1 ZINC000101802372 560802078 /nfs/dbraw/zinc/80/20/78/560802078.db2.gz SXLRQYUPRXZEAK-UHFFFAOYSA-N -1 0 421.432 3.111 50 0 HGAARM CCOc1ccc(CN(C(=O)c2cccs2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101878128 560804248 /nfs/dbraw/zinc/80/42/48/560804248.db2.gz QABJKBMFRLEOAD-UHFFFAOYSA-N -1 0 423.498 3.342 50 0 HGAARM O=C([O-])c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102762383 560826332 /nfs/dbraw/zinc/82/63/32/560826332.db2.gz WDMCEWNAISSDKL-HBMCJLEFSA-N -1 0 414.417 3.436 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2OC)c1 ZINC000102810736 560829323 /nfs/dbraw/zinc/82/93/23/560829323.db2.gz IGMXFSZMLRRHJX-GOSISDBHSA-N -1 0 420.425 3.136 50 0 HGAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(C)cc1 ZINC000102820875 560829691 /nfs/dbraw/zinc/82/96/91/560829691.db2.gz RDQZBRACMWTXFX-SFHVURJKSA-N -1 0 404.426 3.436 50 0 HGAARM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000014097532 560839229 /nfs/dbraw/zinc/83/92/29/560839229.db2.gz BNHVCWOXMUEOBJ-UHFFFAOYSA-N -1 0 404.307 3.044 50 0 HGAARM CCN(C(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000051316660 560856449 /nfs/dbraw/zinc/85/64/49/560856449.db2.gz CZGGVPADZHOPNG-UHFFFAOYSA-N -1 0 405.483 3.254 50 0 HGAARM Cc1cccc(N(C)C(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)c1 ZINC000051316687 560856477 /nfs/dbraw/zinc/85/64/77/560856477.db2.gz NLSSNAFSBYLQOI-UHFFFAOYSA-N -1 0 405.483 3.172 50 0 HGAARM CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000006490178 560872989 /nfs/dbraw/zinc/87/29/89/560872989.db2.gz WWVJEBKTKXRNGN-GNNGFNCTSA-N -1 0 416.522 3.041 50 0 HGAARM CCCn1c2ccc([N-]S(=O)(=O)c3ccccc3C(=O)OC)cc2sc1=O ZINC000046017522 568423725 /nfs/dbraw/zinc/42/37/25/568423725.db2.gz LIPKNSZJPJBWPY-UHFFFAOYSA-N -1 0 406.485 3.060 50 0 HGAARM CC(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc(CC(=O)[O-])s3)CC2)cc1 ZINC000049609505 568452480 /nfs/dbraw/zinc/45/24/80/568452480.db2.gz FGRITUNYMFRBST-UHFFFAOYSA-N -1 0 422.572 3.005 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(C)c2)c1 ZINC000033007770 568510294 /nfs/dbraw/zinc/51/02/94/568510294.db2.gz UHEZSUJPMDCQAN-UHFFFAOYSA-N -1 0 421.500 3.381 50 0 HGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3OC)C2)c1 ZINC000095532117 568635308 /nfs/dbraw/zinc/63/53/08/568635308.db2.gz KXKQNGFQNBVSEL-LJQANCHMSA-N -1 0 412.442 3.255 50 0 HGAARM CCc1c([O-])nc(SCC(=O)N2CCc3ccccc32)n(-c2ccccc2)c1=O ZINC000020807579 568644004 /nfs/dbraw/zinc/64/40/04/568644004.db2.gz YPFUZSULLWEDEG-UHFFFAOYSA-N -1 0 407.495 3.182 50 0 HGAARM CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2c1C ZINC000225583717 568654228 /nfs/dbraw/zinc/65/42/28/568654228.db2.gz STOIYUHPNZXTIA-UHFFFAOYSA-N -1 0 403.412 3.417 50 0 HGAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC(=O)Nc1cccc(Cl)c1)CC2 ZINC000021046081 568660221 /nfs/dbraw/zinc/66/02/21/568660221.db2.gz HBQWQMORLXGGLL-QGZVFWFLSA-N -1 0 418.877 3.370 50 0 HGAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)Cc1ccccc1 ZINC000225658023 568660970 /nfs/dbraw/zinc/66/09/70/568660970.db2.gz WTZJIRCIQZMZGC-HXUWFJFHSA-N -1 0 413.543 3.229 50 0 HGAARM Cc1cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)o2)c(C)cc1Br ZINC000225693593 568665003 /nfs/dbraw/zinc/66/50/03/568665003.db2.gz NXEGODQKBKMWOT-UHFFFAOYSA-N -1 0 400.176 3.269 50 0 HGAARM CC(C)(C)NC(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1 ZINC000095969545 568670801 /nfs/dbraw/zinc/67/08/01/568670801.db2.gz FISPWUDPHQWVLT-UHFFFAOYSA-N -1 0 408.498 3.474 50 0 HGAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)s2)on1 ZINC000021540585 568713751 /nfs/dbraw/zinc/71/37/51/568713751.db2.gz DGYYELDACHTXFE-UHFFFAOYSA-N -1 0 424.456 3.008 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1C ZINC000096286238 568719186 /nfs/dbraw/zinc/71/91/86/568719186.db2.gz JUSHDLQADJKNTH-NHCUHLMSSA-N -1 0 419.485 3.359 50 0 HGAARM CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2C(=O)[O-])ccc1C ZINC000005794723 568733946 /nfs/dbraw/zinc/73/39/46/568733946.db2.gz PTCDPGPFZPOPRR-UHFFFAOYSA-N -1 0 404.488 3.000 50 0 HGAARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C(C)NCc2ccccc2Cl)C1=O ZINC000005799704 568735072 /nfs/dbraw/zinc/73/50/72/568735072.db2.gz DVXHNNVJLFPCPJ-QGOAFFKASA-N -1 0 413.861 3.385 50 0 HGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(F)cc1F ZINC000096361015 568738832 /nfs/dbraw/zinc/73/88/32/568738832.db2.gz GMLPEINSSUOGKD-UHFFFAOYSA-N -1 0 406.414 3.358 50 0 HGAARM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)cccc3Cl)ccc21 ZINC000096399789 568749040 /nfs/dbraw/zinc/74/90/40/568749040.db2.gz JBIFGQQJNZTWGU-UHFFFAOYSA-N -1 0 408.907 3.375 50 0 HGAARM COc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)c(OC)c1 ZINC000021802366 568754197 /nfs/dbraw/zinc/75/41/97/568754197.db2.gz OCNQSRYFTXRGNZ-UHFFFAOYSA-N -1 0 402.476 3.158 50 0 HGAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000086066745 568755197 /nfs/dbraw/zinc/75/51/97/568755197.db2.gz MYYNCUPSRRJGBM-UHFFFAOYSA-N -1 0 423.860 3.235 50 0 HGAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OCC(F)(F)C(F)F)cc1 ZINC000000969110 568758794 /nfs/dbraw/zinc/75/87/94/568758794.db2.gz WXCHDETYVQEOEU-STQMWFEESA-N -1 0 403.328 3.349 50 0 HGAARM CN1CCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577397 568770227 /nfs/dbraw/zinc/77/02/27/568770227.db2.gz YDJJCEWSISCMHU-AWEZNQCLSA-N -1 0 401.517 3.155 50 0 HGAARM CN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022577375 568770266 /nfs/dbraw/zinc/77/02/66/568770266.db2.gz CAFJOBYJAIIIHT-INIZCTEOSA-N -1 0 413.478 3.232 50 0 HGAARM COc1cccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000022609873 568771863 /nfs/dbraw/zinc/77/18/63/568771863.db2.gz FONXXRSVQTYLHR-LJQANCHMSA-N -1 0 421.526 3.417 50 0 HGAARM c1cn(Cc2ccccc2)nc1[N-]c1nnc(Cn2nnc(-c3ccccc3)n2)s1 ZINC000002809445 568812018 /nfs/dbraw/zinc/81/20/18/568812018.db2.gz UXUJKOCEYLGHAL-UHFFFAOYSA-N -1 0 415.486 3.228 50 0 HGAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)N1CCN(c2ccccc2)CC1 ZINC000002925422 568817330 /nfs/dbraw/zinc/81/73/30/568817330.db2.gz BHLIBMXYOUGAOW-UHFFFAOYSA-N -1 0 414.556 3.250 50 0 HGAARM O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002932476 568818557 /nfs/dbraw/zinc/81/85/57/568818557.db2.gz TYDZBRDEKWKHGS-AWEZNQCLSA-N -1 0 401.513 3.078 50 0 HGAARM O=C(CCc1nnc(-c2ccc(F)c(Cl)c2)[n-]c1=O)NCCOc1ccccc1 ZINC000034768646 568825846 /nfs/dbraw/zinc/82/58/46/568825846.db2.gz KXJYXRHQNMZONK-UHFFFAOYSA-N -1 0 416.840 3.165 50 0 HGAARM COC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012521179 568841721 /nfs/dbraw/zinc/84/17/21/568841721.db2.gz FFHWILADEIBDTJ-LBPRGKRZSA-N -1 0 416.421 3.271 50 0 HGAARM CC(C)(C)C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000012560941 568858271 /nfs/dbraw/zinc/85/82/71/568858271.db2.gz WKUYBNIOTPEQEU-UHFFFAOYSA-N -1 0 410.442 3.111 50 0 HGAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003289810 568872847 /nfs/dbraw/zinc/87/28/47/568872847.db2.gz AYKKLEXVBMHJLX-UHFFFAOYSA-N -1 0 415.471 3.381 50 0 HGAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000003947374 568929900 /nfs/dbraw/zinc/92/99/00/568929900.db2.gz MFXQKFUVULJLGS-UHFFFAOYSA-N -1 0 401.444 3.353 50 0 HGAARM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)cc1 ZINC000004001719 568932676 /nfs/dbraw/zinc/93/26/76/568932676.db2.gz VHUNFXKGMIUOFR-UHFFFAOYSA-N -1 0 415.471 3.031 50 0 HGAARM O=C([O-])C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000004029190 568934267 /nfs/dbraw/zinc/93/42/67/568934267.db2.gz YWCMVBHNMHKDLX-VQTJNVASSA-N -1 0 410.470 3.162 50 0 biogenic HGAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000015671379 568961796 /nfs/dbraw/zinc/96/17/96/568961796.db2.gz JLOQYSSGUOBVDK-UHFFFAOYSA-N -1 0 419.894 3.047 50 0 HGAARM CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000004317364 568962662 /nfs/dbraw/zinc/96/26/62/568962662.db2.gz QQRMSSFFOSJLPO-UHFFFAOYSA-N -1 0 408.483 3.410 50 0 HGAARM COC(=O)c1c(SCC(=O)Nc2cc(C)ccc2OC)[n-]c2ccccc2c1=O ZINC000015731494 568981884 /nfs/dbraw/zinc/98/18/84/568981884.db2.gz QBYWTHHXNRXFMF-UHFFFAOYSA-N -1 0 412.467 3.363 50 0 HGAARM COc1cccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)[O-])S3)c1 ZINC000008391803 568998503 /nfs/dbraw/zinc/99/85/03/568998503.db2.gz YYYPSNXASYOEMZ-INIZCTEOSA-N -1 0 410.455 3.067 50 0 HGAARM COc1ccccc1NC(=O)Cc1noc(CSCc2ccc(C(=O)[O-])cc2)n1 ZINC000012925222 569023662 /nfs/dbraw/zinc/02/36/62/569023662.db2.gz UYBWWQRJSDJAAL-UHFFFAOYSA-N -1 0 413.455 3.391 50 0 HGAARM CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c2=O ZINC000015942114 569024271 /nfs/dbraw/zinc/02/42/71/569024271.db2.gz AKGOZPAQNVKCIU-UHFFFAOYSA-N -1 0 403.508 3.189 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2OC)cc1 ZINC000006230479 569033665 /nfs/dbraw/zinc/03/36/65/569033665.db2.gz UJCZTHKWVBNJHC-UHFFFAOYSA-N -1 0 402.428 3.350 50 0 HGAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000035397482 569034957 /nfs/dbraw/zinc/03/49/57/569034957.db2.gz ZXEMDXXCLXSJJI-UHFFFAOYSA-N -1 0 407.492 3.216 50 0 HGAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@H](c2cnn(C)c2)CC(=O)O3)c1=O ZINC000524729414 569051530 /nfs/dbraw/zinc/05/15/30/569051530.db2.gz SRQOOPJNGAIMIA-AWEZNQCLSA-N -1 0 418.405 3.349 50 0 biogenic HGAARM O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)c1ccccc1 ZINC000238950191 569053939 /nfs/dbraw/zinc/05/39/39/569053939.db2.gz WXSZIXNPHTYLLB-MDKPJZGXSA-N -1 0 419.481 3.145 50 0 HGAARM O=S(=O)([N-]c1nccs1)c1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000006502399 569061673 /nfs/dbraw/zinc/06/16/73/569061673.db2.gz DBYZJPAOLHMGSG-UHFFFAOYSA-N -1 0 404.542 3.431 50 0 HGAARM CCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)c(C(=O)[O-])c21 ZINC000006550471 569064984 /nfs/dbraw/zinc/06/49/84/569064984.db2.gz JSYMYFBITWCTGW-UHFFFAOYSA-N -1 0 417.439 3.076 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)c1 ZINC000006553549 569065596 /nfs/dbraw/zinc/06/55/96/569065596.db2.gz RCVUOQXSHIHODT-UHFFFAOYSA-N -1 0 404.488 3.131 50 0 HGAARM Cc1cc(=O)n2nc(CN(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)[n-]c2n1 ZINC000064580112 569068435 /nfs/dbraw/zinc/06/84/35/569068435.db2.gz BJMLPJRVKUHNRW-UHFFFAOYSA-N -1 0 411.824 3.366 50 0 HGAARM O=C([O-])c1cc(N2CCCN(c3ncccn3)CC2)ccc1NC(=O)c1ccccc1 ZINC000064589028 569068985 /nfs/dbraw/zinc/06/89/85/569068985.db2.gz HMUAFKLFYPHADS-UHFFFAOYSA-N -1 0 417.469 3.144 50 0 HGAARM COC(=O)c1cc(C(=O)c2ccccc2[O-])cn2c(=O)c3c(C)c(C)sc3nc12 ZINC000006602687 569070167 /nfs/dbraw/zinc/07/01/67/569070167.db2.gz NSIQHEBJGSZXEP-UHFFFAOYSA-N -1 0 408.435 3.249 50 0 HGAARM CC(C)=CCOc1cc2oc(=O)c(CC(=O)N[C@@H](C)C(=O)[O-])c(C)c2cc1Cl ZINC000006624159 569075488 /nfs/dbraw/zinc/07/54/88/569075488.db2.gz UIZUPHAGNYKQJR-LBPRGKRZSA-N -1 0 407.850 3.232 50 0 biogenic HGAARM COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000064837072 569104997 /nfs/dbraw/zinc/10/49/97/569104997.db2.gz YGARMNFRKGMVLQ-UHFFFAOYSA-N -1 0 405.863 3.208 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccnc3)ccc2OC)cc1 ZINC000036350943 569147293 /nfs/dbraw/zinc/14/72/93/569147293.db2.gz YFTFCBKUIOYAEA-UHFFFAOYSA-N -1 0 413.455 3.152 50 0 HGAARM Cc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c1C ZINC000036353689 569147817 /nfs/dbraw/zinc/14/78/17/569147817.db2.gz SQYJSHXOWHJEKY-JOCHJYFZSA-N -1 0 421.497 3.441 50 0 HGAARM Cc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c1C ZINC000036366640 569152687 /nfs/dbraw/zinc/15/26/87/569152687.db2.gz GKBRTDDJXFLSDX-QFIPXVFZSA-N -1 0 421.497 3.441 50 0 HGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCC3)c2c1 ZINC000065115196 569179269 /nfs/dbraw/zinc/17/92/69/569179269.db2.gz GEXKUAIKXQINPM-UHFFFAOYSA-N -1 0 415.471 3.263 50 0 HGAARM C[C@@H](CCc1ccccc1)NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000006918513 569181492 /nfs/dbraw/zinc/18/14/92/569181492.db2.gz IICCDBCPEDRFAX-AWEZNQCLSA-N -1 0 403.529 3.028 50 0 HGAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O ZINC000065249858 569205890 /nfs/dbraw/zinc/20/58/90/569205890.db2.gz GROASJCFKBJXMO-UHFFFAOYSA-N -1 0 404.426 3.048 50 0 HGAARM COc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(Cl)cc3)c2[nH]c1=O ZINC000065250004 569206023 /nfs/dbraw/zinc/20/60/23/569206023.db2.gz VDNGHZPLPGCOHD-UHFFFAOYSA-N -1 0 410.817 3.334 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2ccccc2I)sc1C(=O)[O-] ZINC000037225797 569240842 /nfs/dbraw/zinc/24/08/42/569240842.db2.gz ONYJMJLUPWYELZ-UHFFFAOYSA-N -1 0 423.253 3.160 50 0 HGAARM O=C([O-])[C@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(F)c(F)c1 ZINC000170592168 569241076 /nfs/dbraw/zinc/24/10/76/569241076.db2.gz YYNCYLBZOSIEKO-OAHLLOKOSA-N -1 0 418.165 3.187 50 0 HGAARM Cc1ccnc(-n2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)cn2)c1 ZINC000089701864 569262622 /nfs/dbraw/zinc/26/26/22/569262622.db2.gz JVFICMMDAOBPCO-UHFFFAOYSA-N -1 0 407.293 3.447 50 0 HGAARM O=S(=O)([N-]c1ncc(Cc2cccc(F)c2)s1)c1ccc2c(c1)OCCO2 ZINC000089775129 569263511 /nfs/dbraw/zinc/26/35/11/569263511.db2.gz PSRXSWXCXLZIQL-UHFFFAOYSA-N -1 0 406.460 3.445 50 0 HGAARM COc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000016960481 569269063 /nfs/dbraw/zinc/26/90/63/569269063.db2.gz OCQAWNXMVGRNRF-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000170636251 569278540 /nfs/dbraw/zinc/27/85/40/569278540.db2.gz KYMIJCTZCFSZSR-UHFFFAOYSA-N -1 0 400.438 3.175 50 0 HGAARM O=C(CSc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)NC1CCCCC1 ZINC000006706887 569280153 /nfs/dbraw/zinc/28/01/53/569280153.db2.gz OIAZPASBPLCXHW-UHFFFAOYSA-N -1 0 405.545 3.423 50 0 HGAARM Cc1c(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000002101631 569281659 /nfs/dbraw/zinc/28/16/59/569281659.db2.gz FADTZOHJFQXWSL-AWEZNQCLSA-N -1 0 401.459 3.119 50 0 biogenic HGAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1C ZINC000002108239 569283829 /nfs/dbraw/zinc/28/38/29/569283829.db2.gz TYQMSWXJIFLLJC-HXUWFJFHSA-N -1 0 409.438 3.293 50 0 biogenic HGAARM O=C([O-])COc1ccc(NC=C2N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000027519262 569327866 /nfs/dbraw/zinc/32/78/66/569327866.db2.gz ITLUEXXQBNJSLX-DHDCSXOGSA-N -1 0 417.215 3.169 50 0 HGAARM COc1ccc([C@H](CC(=O)NCCc2ccc(O)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471423 569381104 /nfs/dbraw/zinc/38/11/04/569381104.db2.gz RONADUKSANSIBV-FQEVSTJZSA-N -1 0 423.465 3.249 50 0 HGAARM O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cc(-c2ccco2)on1 ZINC000079016030 569423949 /nfs/dbraw/zinc/42/39/49/569423949.db2.gz XVADHPUCCKILAE-UHFFFAOYSA-N -1 0 416.440 3.444 50 0 HGAARM O=C([N-]S(=O)(=O)Oc1ccccc1F)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000008782767 571119589 /nfs/dbraw/zinc/11/95/89/571119589.db2.gz JTRQQWPFMIBHNY-UHFFFAOYSA-N -1 0 410.757 3.439 50 0 HGAARM COCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccccc1 ZINC000039996832 571137305 /nfs/dbraw/zinc/13/73/05/571137305.db2.gz OWRSQJNPDXFOPF-HXUWFJFHSA-N -1 0 424.453 3.115 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccncc2)cc1C(=O)[O-] ZINC000040139100 571188772 /nfs/dbraw/zinc/18/87/72/571188772.db2.gz XWROMPGGIFEBRH-UHFFFAOYSA-N -1 0 411.439 3.141 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)c1 ZINC000008977050 571197826 /nfs/dbraw/zinc/19/78/26/571197826.db2.gz DBSFYALDNQASSD-UHFFFAOYSA-N -1 0 418.515 3.045 50 0 HGAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2ccccc2C)c1=O ZINC000008994699 571208481 /nfs/dbraw/zinc/20/84/81/571208481.db2.gz DQYDWGPNRNFYTM-NRFANRHFSA-N -1 0 416.481 3.401 50 0 biogenic HGAARM Nc1ccc(I)cc1-c1nnc(-c2ccc(F)cc2)c(=O)[n-]1 ZINC000069982208 571252563 /nfs/dbraw/zinc/25/25/63/571252563.db2.gz QQAWFSWDMVDQQD-UHFFFAOYSA-N -1 0 408.174 3.237 50 0 HGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cccc(Br)c1)N(C)C2=O ZINC000009776750 571285040 /nfs/dbraw/zinc/28/50/40/571285040.db2.gz YURSJHBAUCGMAX-DLBZAZTESA-N -1 0 420.259 3.461 50 0 HGAARM COc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000009828712 571286961 /nfs/dbraw/zinc/28/69/61/571286961.db2.gz NWXLYMIQDZQVDD-UHFFFAOYSA-N -1 0 403.485 3.134 50 0 HGAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)n1C ZINC000021154112 571305565 /nfs/dbraw/zinc/30/55/65/571305565.db2.gz DTBULJLBLLWILJ-UHFFFAOYSA-N -1 0 410.927 3.117 50 0 HGAARM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000006564143 571317555 /nfs/dbraw/zinc/31/75/55/571317555.db2.gz PEMHOAIHPQJNIM-SFTDATJTSA-N -1 0 422.481 3.235 50 0 HGAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 ZINC000006183034 132309526 /nfs/dbraw/zinc/30/95/26/132309526.db2.gz ZMWGCOAFDFFOGO-AWEZNQCLSA-N -1 0 421.780 3.400 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000033078519 132776463 /nfs/dbraw/zinc/77/64/63/132776463.db2.gz GFBYYXDWIWFPAO-UHFFFAOYSA-N -1 0 415.421 3.055 50 0 HGAARM CC(=O)Nc1ccc2nc(N3CCN(Cc4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260793 132782029 /nfs/dbraw/zinc/78/20/29/132782029.db2.gz ZGERMZCVZNEHMN-UHFFFAOYSA-N -1 0 422.460 3.353 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)[nH]n2)cc1 ZINC000032950981 521131140 /nfs/dbraw/zinc/13/11/40/521131140.db2.gz UZBRMITZPSLUJZ-UHFFFAOYSA-N -1 0 400.460 3.170 50 0 HGAARM COc1cc(OC)cc([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000040312558 522881864 /nfs/dbraw/zinc/88/18/64/522881864.db2.gz VPXPZYQYFHJKBI-HXUWFJFHSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ncccn3)CC2)cc1 ZINC000032946593 526217678 /nfs/dbraw/zinc/21/76/78/526217678.db2.gz FBHQKUFQNAXRCK-UHFFFAOYSA-N -1 0 417.469 3.062 50 0 HGAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2ccc(Br)cc2)cc1 ZINC000019853632 526359437 /nfs/dbraw/zinc/35/94/37/526359437.db2.gz BFYDNBYEDYTMQY-UHFFFAOYSA-N -1 0 419.260 3.098 50 0 HGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000000687771 557059720 /nfs/dbraw/zinc/05/97/20/557059720.db2.gz LQMYBZFCBXIKBN-UHFFFAOYSA-N -1 0 400.547 3.114 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)c1 ZINC000000859463 557103690 /nfs/dbraw/zinc/10/36/90/557103690.db2.gz KZNRHNMQSDHVSP-UHFFFAOYSA-N -1 0 402.472 3.248 50 0 HGAARM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000000888079 557111722 /nfs/dbraw/zinc/11/17/22/557111722.db2.gz KYOQJAKVISTGGQ-UHFFFAOYSA-N -1 0 422.890 3.465 50 0 HGAARM CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000001076065 557172805 /nfs/dbraw/zinc/17/28/05/557172805.db2.gz OFXQTTQOWIQPTN-IBGZPJMESA-N -1 0 400.500 3.440 50 0 biogenic,in-vitro HGAARM Cc1ncc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)c(C)n1 ZINC000001185264 557233229 /nfs/dbraw/zinc/23/32/29/557233229.db2.gz FJCNIFRQXAEJBW-UHFFFAOYSA-N -1 0 403.508 3.348 50 0 HGAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000002841867 557401353 /nfs/dbraw/zinc/40/13/53/557401353.db2.gz DOUGLWLPVBRWPS-MSOLQXFVSA-N -1 0 408.454 3.482 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1Cl)C(=O)[O-] ZINC000004521273 557563328 /nfs/dbraw/zinc/56/33/28/557563328.db2.gz QOWSQCSRXFQXKJ-AWEZNQCLSA-N -1 0 400.859 3.324 50 0 HGAARM COc1ccc([C@@H](OCC(=O)[O-])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000004710414 557585729 /nfs/dbraw/zinc/58/57/29/557585729.db2.gz IUOYSTUUNZSRJH-JOCHJYFZSA-N -1 0 413.426 3.460 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)no1 ZINC000004809129 557599656 /nfs/dbraw/zinc/59/96/56/557599656.db2.gz TVSSEFPOVPCTFB-HNNXBMFYSA-N -1 0 415.471 3.498 50 0 HGAARM O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005051099 557630591 /nfs/dbraw/zinc/63/05/91/557630591.db2.gz XSLLELRFYHXBKL-UHFFFAOYSA-N -1 0 410.451 3.146 50 0 HGAARM O=C(NCCCn1ccnc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000009356057 557838768 /nfs/dbraw/zinc/83/87/68/557838768.db2.gz YWQRSLQMUZSDJT-UHFFFAOYSA-N -1 0 418.906 3.157 50 0 HGAARM CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854254 557839882 /nfs/dbraw/zinc/83/98/82/557839882.db2.gz SATGLZWFZZAGBH-AWEZNQCLSA-N -1 0 412.437 3.499 50 0 HGAARM CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(Cl)cc2)c(C(=O)[O-])n1 ZINC000012062558 558317483 /nfs/dbraw/zinc/31/74/83/558317483.db2.gz WLYILSFWOIHQGZ-UHFFFAOYSA-N -1 0 421.862 3.032 50 0 HGAARM O=C([O-])CCc1ccc(S(=O)(=O)NN=c2[nH]cc(C(F)(F)F)cc2Cl)cc1 ZINC000020627305 558394641 /nfs/dbraw/zinc/39/46/41/558394641.db2.gz UJHZIMAKJRQECY-UHFFFAOYSA-N -1 0 423.800 3.076 50 0 HGAARM Cc1cc(NC(=O)COc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)no1 ZINC000012446697 558414254 /nfs/dbraw/zinc/41/42/54/558414254.db2.gz IQYYJZURJRSOPP-UHFFFAOYSA-N -1 0 421.862 3.455 50 0 HGAARM CCOc1ccc(Cn2c3nnc([S-])n3c3ccsc3c2=O)cc1OCC ZINC000021729893 558447161 /nfs/dbraw/zinc/44/71/61/558447161.db2.gz MQILGCVJCPSKQI-UHFFFAOYSA-N -1 0 402.501 3.240 50 0 HGAARM COc1cccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)Nc2ccccc2F)CC3)c1 ZINC000004382903 558484140 /nfs/dbraw/zinc/48/41/40/558484140.db2.gz VXSRYQCQXLEYQC-UHFFFAOYSA-N -1 0 408.433 3.099 50 0 HGAARM O=C([O-])Cc1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000012941110 558487117 /nfs/dbraw/zinc/48/71/17/558487117.db2.gz KURNANZXKOCHQW-UHFFFAOYSA-N -1 0 414.409 3.039 50 0 HGAARM O=S(=O)([N-]CCOc1ncc(C(F)(F)F)cc1Cl)c1c(F)cccc1F ZINC000022873226 558518362 /nfs/dbraw/zinc/51/83/62/558518362.db2.gz INIRJYPYISKMJM-UHFFFAOYSA-N -1 0 416.755 3.389 50 0 HGAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000013278750 558528606 /nfs/dbraw/zinc/52/86/06/558528606.db2.gz PWONGPVYXISYKA-UHFFFAOYSA-N -1 0 413.835 3.009 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000023397693 558556705 /nfs/dbraw/zinc/55/67/05/558556705.db2.gz CDWVTGHVEABPDZ-UHFFFAOYSA-N -1 0 402.428 3.350 50 0 HGAARM Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000072191526 558563337 /nfs/dbraw/zinc/56/33/37/558563337.db2.gz CJSHZFZZZXFUQW-UHFFFAOYSA-N -1 0 412.471 3.132 50 0 HGAARM COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](Nc2cc(C(=O)[O-])ccc2C)C1=O ZINC000025561280 558643781 /nfs/dbraw/zinc/64/37/81/558643781.db2.gz AVYPKYGRKYPXPA-OAHLLOKOSA-N -1 0 402.834 3.408 50 0 HGAARM COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000015480319 558740938 /nfs/dbraw/zinc/74/09/38/558740938.db2.gz AQPFHVWREADOEX-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM O=C([O-])C[C@H](CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000004577451 558756503 /nfs/dbraw/zinc/75/65/03/558756503.db2.gz NAQMOTAHFFYIFD-GOSISDBHSA-N -1 0 422.481 3.218 50 0 HGAARM CC(C)C[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000005092896 558781621 /nfs/dbraw/zinc/78/16/21/558781621.db2.gz NLVPAYPOXXOVKH-SFKKXYGYSA-N -1 0 404.850 3.319 50 0 HGAARM O=C([O-])Cn1cnc2c1ncnc2NC(=O)OC(c1ccccc1)c1ccccc1 ZINC000016696948 558801177 /nfs/dbraw/zinc/80/11/77/558801177.db2.gz FTKPROASZKHXHB-UHFFFAOYSA-N -1 0 403.398 3.249 50 0 HGAARM C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2cccnc2)C1 ZINC000017082230 558814254 /nfs/dbraw/zinc/81/42/54/558814254.db2.gz WIWFTVJPVNZSFB-GFCCVEGCSA-N -1 0 401.488 3.001 50 0 HGAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000017082227 558814315 /nfs/dbraw/zinc/81/43/15/558814315.db2.gz QEOIVOIYJKFMMZ-UHFFFAOYSA-N -1 0 401.488 3.145 50 0 HGAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017093210 558821540 /nfs/dbraw/zinc/82/15/40/558821540.db2.gz MPNZYJWSABOVKN-GFCCVEGCSA-N -1 0 422.547 3.221 50 0 HGAARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C)c(=O)[n-]1)CCCC2 ZINC000017975567 558829064 /nfs/dbraw/zinc/82/90/64/558829064.db2.gz LCWZDRPUTYYENQ-SNVBAGLBSA-N -1 0 422.532 3.122 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1 ZINC000033078522 558867897 /nfs/dbraw/zinc/86/78/97/558867897.db2.gz UAUHSTCGDQTZRR-UHFFFAOYSA-N -1 0 411.458 3.224 50 0 HGAARM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651261 558869489 /nfs/dbraw/zinc/86/94/89/558869489.db2.gz NGACVQIMNONRCX-QZTJIDSGSA-N -1 0 417.458 3.423 50 0 HGAARM O=C([O-])c1cc(-c2ccc3[nH]ccc3c2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071767927 558910923 /nfs/dbraw/zinc/91/09/23/558910923.db2.gz MPIURFVYXGPUGV-UHFFFAOYSA-N -1 0 402.497 3.271 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)cc1C ZINC000058300359 558917613 /nfs/dbraw/zinc/91/76/13/558917613.db2.gz GMZXQYUROTYAQV-UHFFFAOYSA-N -1 0 412.393 3.201 50 0 HGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)c(C(=O)[O-])c1 ZINC000033252933 558921064 /nfs/dbraw/zinc/92/10/64/558921064.db2.gz GZZBCDQJJONTRS-UHFFFAOYSA-N -1 0 423.922 3.126 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000097940842 558946839 /nfs/dbraw/zinc/94/68/39/558946839.db2.gz OPZSLUMFUSPRIE-UHFFFAOYSA-N -1 0 414.487 3.323 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000097940864 558946869 /nfs/dbraw/zinc/94/68/69/558946869.db2.gz JABBVMXHOPEQFC-UHFFFAOYSA-N -1 0 418.450 3.154 50 0 HGAARM CCOc1ccc(C2=N/C(=C/c3ccccc3OCC(=O)[O-])C(=O)O2)cc1OCC ZINC000096635044 558982921 /nfs/dbraw/zinc/98/29/21/558982921.db2.gz IXBCMIKCMJRRFS-LFIBNONCSA-N -1 0 411.410 3.292 50 0 HGAARM O=C(Nc1ccc(I)cc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000060614356 558986809 /nfs/dbraw/zinc/98/68/09/558986809.db2.gz GHEGIUSEHDAUEK-UHFFFAOYSA-N -1 0 423.235 3.069 50 0 HGAARM Cc1ccc(C(=O)N2CCc3c(nc4cc(-c5ccccc5Cl)[n-]n4c3=O)C2)cn1 ZINC000097151850 558997456 /nfs/dbraw/zinc/99/74/56/558997456.db2.gz GYGSERKCMSTMCN-UHFFFAOYSA-N -1 0 419.872 3.245 50 0 HGAARM CCCCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2C1 ZINC000077519010 559008154 /nfs/dbraw/zinc/00/81/54/559008154.db2.gz UBCHQMDQVQNWGE-UHFFFAOYSA-N -1 0 402.520 3.140 50 0 HGAARM Cc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023158146 559022631 /nfs/dbraw/zinc/02/26/31/559022631.db2.gz DFWFTQWBUBMXID-QGZVFWFLSA-N -1 0 413.478 3.449 50 0 HGAARM COc1ccc(C(=O)[N-]C(=O)N=[S@](C)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000100217190 559132077 /nfs/dbraw/zinc/13/20/77/559132077.db2.gz ZMJWWTGFHUMENW-HHHXNRCGSA-N -1 0 401.366 3.116 50 0 HGAARM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2ccc(Br)cc2C(=O)O1 ZINC000011666703 559149929 /nfs/dbraw/zinc/14/99/29/559149929.db2.gz KCXOQCFUICLLNQ-SFHVURJKSA-N -1 0 404.216 3.258 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000257360748 559213884 /nfs/dbraw/zinc/21/38/84/559213884.db2.gz BHQCQFFYRZLCQQ-AKDOOQIZSA-N -1 0 408.579 3.449 50 0 in-vitro HGAARM CCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c1=O ZINC000100621149 559244295 /nfs/dbraw/zinc/24/42/95/559244295.db2.gz JHYFKZCLUMHMQQ-UHFFFAOYSA-N -1 0 410.470 3.454 50 0 HGAARM Cc1nnc2ccc(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4F)cc3)nn12 ZINC000005150852 559253718 /nfs/dbraw/zinc/25/37/18/559253718.db2.gz OOWBPTZIWDMQJY-UHFFFAOYSA-N -1 0 401.398 3.179 50 0 HGAARM O=C(CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccccc1F ZINC000005154673 559254365 /nfs/dbraw/zinc/25/43/65/559254365.db2.gz OVCOGFRUKMHSQD-UHFFFAOYSA-N -1 0 404.854 3.279 50 0 HGAARM CC(C)Cn1c(=O)c(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c(O)c2ccccc21 ZINC000100706811 559259164 /nfs/dbraw/zinc/25/91/64/559259164.db2.gz ZLCQPRXKRNHTBY-UHFFFAOYSA-N -1 0 419.437 3.163 50 0 HGAARM CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccccc2OC)C1 ZINC000061983955 560564652 /nfs/dbraw/zinc/56/46/52/560564652.db2.gz XNZYHESERSNXLS-LJQANCHMSA-N -1 0 401.488 3.154 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1N1CCCCC1=O ZINC000005330181 560565690 /nfs/dbraw/zinc/56/56/90/560565690.db2.gz MYQMNWJBQSCWEC-UHFFFAOYSA-N -1 0 404.488 3.330 50 0 HGAARM COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000005662131 560733132 /nfs/dbraw/zinc/73/31/32/560733132.db2.gz XIEKSQNQQVKOPC-MNDPQUGUSA-N -1 0 410.470 3.227 50 0 HGAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC ZINC000101260325 560789762 /nfs/dbraw/zinc/78/97/62/560789762.db2.gz XHDUYLPRWODJIZ-DLBZAZTESA-N -1 0 400.822 3.163 50 0 HGAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)n1 ZINC000101262292 560789932 /nfs/dbraw/zinc/78/99/32/560789932.db2.gz JQTMNOFDAHXYPY-IRXDYDNUSA-N -1 0 422.832 3.192 50 0 HGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 ZINC000101299784 560791187 /nfs/dbraw/zinc/79/11/87/560791187.db2.gz NQJQDKISZLUJJS-LJQANCHMSA-N -1 0 404.426 3.436 50 0 HGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000101418137 560794778 /nfs/dbraw/zinc/79/47/78/560794778.db2.gz NHGMIWKDEYYEEG-GJZGRUSLSA-N -1 0 410.302 3.477 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1F ZINC000101723498 560799244 /nfs/dbraw/zinc/79/92/44/560799244.db2.gz UKOKIUCZOZJYEY-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4F)cnn32)cc1 ZINC000101836370 560803664 /nfs/dbraw/zinc/80/36/64/560803664.db2.gz QSUZHDVLKPSQBP-GOSISDBHSA-N -1 0 408.389 3.267 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2)cc1OC ZINC000101836809 560803735 /nfs/dbraw/zinc/80/37/35/560803735.db2.gz WBSVEXKBVYHYHC-KRWDZBQOSA-N -1 0 420.425 3.136 50 0 HGAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102479209 560811809 /nfs/dbraw/zinc/81/18/09/560811809.db2.gz BGGSKOLWADNMMD-ZWKOTPCHSA-N -1 0 405.389 3.283 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(C)cc2)c1 ZINC000102810634 560829285 /nfs/dbraw/zinc/82/92/85/560829285.db2.gz UUAPDGJQGRSTAA-IBGZPJMESA-N -1 0 404.426 3.436 50 0 HGAARM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(c3ccccc3Cl)=NOC2=C1[O-] ZINC000103525377 560842910 /nfs/dbraw/zinc/84/29/10/560842910.db2.gz GMQQVSUQIRXXOD-DZGCQCFKSA-N -1 0 418.858 3.097 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)cc1 ZINC000101272266 560851466 /nfs/dbraw/zinc/85/14/66/560851466.db2.gz WQBWYPVUBVVEAL-MOPGFXCFSA-N -1 0 416.441 3.155 50 0 HGAARM CN(C(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 ZINC000051316700 560856424 /nfs/dbraw/zinc/85/64/24/560856424.db2.gz YOBQIFNIYAKHJW-UHFFFAOYSA-N -1 0 409.446 3.003 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000046017551 568423720 /nfs/dbraw/zinc/42/37/20/568423720.db2.gz ZBXYFMVSVVMHPH-UHFFFAOYSA-N -1 0 408.501 3.462 50 0 HGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)c1 ZINC000049543410 568451091 /nfs/dbraw/zinc/45/10/91/568451091.db2.gz FQFPKNVRCAWAOP-OAHLLOKOSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)cc1CC(=O)[O-] ZINC000095459931 568619967 /nfs/dbraw/zinc/61/99/67/568619967.db2.gz LUYBDMGSKPOFCI-UHFFFAOYSA-N -1 0 418.240 3.025 50 0 HGAARM CC(C)C(=O)Nc1nc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)s2)cs1 ZINC000095463975 568622293 /nfs/dbraw/zinc/62/22/93/568622293.db2.gz XVKVFYMTJWEJIA-SNVBAGLBSA-N -1 0 415.924 3.327 50 0 HGAARM CCOC(=O)[C@@]([N-]c1nnc(C)s1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000020609150 568636673 /nfs/dbraw/zinc/63/66/73/568636673.db2.gz RNDNUBYUZFFBGY-AWEZNQCLSA-N -1 0 422.816 3.164 50 0 HGAARM CCOC(=O)c1nc([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)oc1C ZINC000225606002 568656359 /nfs/dbraw/zinc/65/63/59/568656359.db2.gz NGMDPWBJYAWNHG-UHFFFAOYSA-N -1 0 424.866 3.108 50 0 HGAARM Cc1oc(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1C(=O)[O-] ZINC000095970444 568671360 /nfs/dbraw/zinc/67/13/60/568671360.db2.gz OEEQOYIFPOEFIY-UHFFFAOYSA-N -1 0 422.275 3.413 50 0 HGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NCc1cccs1)c2=O ZINC000012415903 568717983 /nfs/dbraw/zinc/71/79/83/568717983.db2.gz CHBBFBQHRAKILZ-UHFFFAOYSA-N -1 0 417.512 3.004 50 0 HGAARM CO[C@@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)CC1 ZINC000240757083 568730534 /nfs/dbraw/zinc/73/05/34/568730534.db2.gz HWEJJSIOJOLVPG-IBGZPJMESA-N -1 0 424.544 3.286 50 0 HGAARM COc1cc(OC)c(NC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1Cl ZINC000021661339 568736105 /nfs/dbraw/zinc/73/61/05/568736105.db2.gz QJRMIIIZXUCZEG-UHFFFAOYSA-N -1 0 423.878 3.098 50 0 HGAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000096361096 568738939 /nfs/dbraw/zinc/73/89/39/568738939.db2.gz JJWHGYTVONWOTI-UHFFFAOYSA-N -1 0 420.878 3.433 50 0 HGAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096361217 568739153 /nfs/dbraw/zinc/73/91/53/568739153.db2.gz KDCGGQZNPBFGQI-UHFFFAOYSA-N -1 0 406.851 3.125 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]cn1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938084 568752054 /nfs/dbraw/zinc/75/20/54/568752054.db2.gz MVBAHBIPDDTVQY-RXMQYKEDSA-N -1 0 423.039 3.315 50 0 HGAARM Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(N)=O ZINC000028197770 568782067 /nfs/dbraw/zinc/78/20/67/568782067.db2.gz JYASFMNRRRRZGA-UHFFFAOYSA-N -1 0 405.863 3.371 50 0 HGAARM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000002636389 568792175 /nfs/dbraw/zinc/79/21/75/568792175.db2.gz DQFQXMZYXUHNAR-UHFFFAOYSA-N -1 0 424.494 3.261 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)nc3sc4c(c32)CCC4)cc1 ZINC000002638255 568792843 /nfs/dbraw/zinc/79/28/43/568792843.db2.gz JSLFJMCJRVZRGU-UHFFFAOYSA-N -1 0 402.501 3.248 50 0 HGAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000002889844 568814786 /nfs/dbraw/zinc/81/47/86/568814786.db2.gz VQNKYJRYIQLUNT-UHFFFAOYSA-N -1 0 403.504 3.344 50 0 HGAARM CC[C@@]1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CCC(=O)NC1=O ZINC000057121580 568824317 /nfs/dbraw/zinc/82/43/17/568824317.db2.gz ZBKOGBIXFKCFRG-KRWDZBQOSA-N -1 0 412.920 3.287 50 0 HGAARM CC[C@]1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CCC(=O)NC1=O ZINC000057121579 568824320 /nfs/dbraw/zinc/82/43/20/568824320.db2.gz ZBKOGBIXFKCFRG-QGZVFWFLSA-N -1 0 412.920 3.287 50 0 HGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)c(C)c2)cc1OC ZINC000003626934 568864914 /nfs/dbraw/zinc/86/49/14/568864914.db2.gz NRKHLMBSRIIOLW-MRXNPFEDSA-N -1 0 407.850 3.377 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCCOC(C)C)c1 ZINC000012604762 568870853 /nfs/dbraw/zinc/87/08/53/568870853.db2.gz SJWNBYFSKMDLCS-UHFFFAOYSA-N -1 0 406.504 3.041 50 0 HGAARM CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c1 ZINC000003361478 568888128 /nfs/dbraw/zinc/88/81/28/568888128.db2.gz RVUTYDNLYLVXPQ-UHFFFAOYSA-N -1 0 412.895 3.216 50 0 HGAARM COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000003456799 568906417 /nfs/dbraw/zinc/90/64/17/568906417.db2.gz HBUDXRINRWCECF-FQEVSTJZSA-N -1 0 421.449 3.406 50 0 HGAARM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1Cl ZINC000012653190 568906720 /nfs/dbraw/zinc/90/67/20/568906720.db2.gz VDXBUGIRAUUETB-UHFFFAOYSA-N -1 0 421.327 3.334 50 0 HGAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000218232359 568928481 /nfs/dbraw/zinc/92/84/81/568928481.db2.gz KSTCJQZOCQNNLM-CQSZACIVSA-N -1 0 405.790 3.296 50 0 HGAARM O=C(Nn1cnc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012773566 568953283 /nfs/dbraw/zinc/95/32/83/568953283.db2.gz ZCULUEXXQALOSQ-UHFFFAOYSA-N -1 0 410.430 3.360 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)[n-]c2=O)cc1 ZINC000004317385 568962676 /nfs/dbraw/zinc/96/26/76/568962676.db2.gz GCRALXFNWNDQSG-UHFFFAOYSA-N -1 0 400.435 3.047 50 0 HGAARM CCOc1cc(C(=O)CCC(=O)[O-])ccc1OS(=O)(=O)c1ccc(F)c(F)c1 ZINC000007988244 568965801 /nfs/dbraw/zinc/96/58/01/568965801.db2.gz KPTWPWKJBLCSKZ-UHFFFAOYSA-N -1 0 414.382 3.179 50 0 HGAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000008193030 568981782 /nfs/dbraw/zinc/98/17/82/568981782.db2.gz IDSNIFJFHHQTFS-UHFFFAOYSA-N -1 0 410.455 3.456 50 0 HGAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(F)cc1F ZINC000015731482 568981950 /nfs/dbraw/zinc/98/19/50/568981950.db2.gz UDMJPJNRKGDQNL-UHFFFAOYSA-N -1 0 404.394 3.324 50 0 HGAARM O=C([O-])c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000001471032 568994454 /nfs/dbraw/zinc/99/44/54/568994454.db2.gz HDHVLFPFHNXWKF-UHFFFAOYSA-N -1 0 413.227 3.467 50 0 HGAARM CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCCCC(=O)[O-])n3C)cc2C1 ZINC000012916427 569022332 /nfs/dbraw/zinc/02/23/32/569022332.db2.gz QOASUYPYYCHXHC-GFCCVEGCSA-N -1 0 422.576 3.132 50 0 HGAARM Cc1ccc(OCc2ccc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)o2)cc1 ZINC000012923094 569023365 /nfs/dbraw/zinc/02/33/65/569023365.db2.gz DWBRSGSAGDJQKA-HSZRJFAPSA-N -1 0 419.437 3.279 50 0 HGAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1N1CCCC1 ZINC000035397465 569034900 /nfs/dbraw/zinc/03/49/00/569034900.db2.gz JTGBPHWLLGRJDT-UHFFFAOYSA-N -1 0 416.286 3.488 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)c1 ZINC000035506359 569040900 /nfs/dbraw/zinc/04/09/00/569040900.db2.gz XKEJKFFMFVKVFV-OAHLLOKOSA-N -1 0 402.406 3.238 50 0 HGAARM CC(C)(C)NC(=O)N1CCC(CNC(=O)C[C@@H](CC(=O)[O-])c2cccs2)CC1 ZINC000090607336 569049014 /nfs/dbraw/zinc/04/90/14/569049014.db2.gz DWDQAEBWWBCGNI-HNNXBMFYSA-N -1 0 409.552 3.033 50 0 HGAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690164 569070699 /nfs/dbraw/zinc/07/06/99/569070699.db2.gz JXXKXCCXVHPUAS-DCGLDWPTSA-N -1 0 402.520 3.266 50 0 HGAARM Cn1cc(C(=O)[N-]S(=O)(=O)Nc2ccc(Br)cc2)c2ccccc21 ZINC000006661865 569085428 /nfs/dbraw/zinc/08/54/28/569085428.db2.gz MSDDTEKGFUYQPH-UHFFFAOYSA-N -1 0 408.277 3.028 50 0 HGAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(F)c2)[n-]c1=O ZINC000064774883 569093440 /nfs/dbraw/zinc/09/34/40/569093440.db2.gz KAZVROTWKLTGRH-UHFFFAOYSA-N -1 0 413.434 3.073 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1Cl ZINC000064919671 569121024 /nfs/dbraw/zinc/12/10/24/569121024.db2.gz IDGCMLFZBHAQDM-UHFFFAOYSA-N -1 0 414.936 3.376 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)n(C)c1C ZINC000064922301 569122201 /nfs/dbraw/zinc/12/22/01/569122201.db2.gz MEFBJYUORXDEGH-UHFFFAOYSA-N -1 0 405.520 3.077 50 0 HGAARM O=C([O-])[C@@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000036359584 569151615 /nfs/dbraw/zinc/15/16/15/569151615.db2.gz RCGGEGSVUZKHKW-HXUWFJFHSA-N -1 0 421.453 3.343 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c(OC)c1 ZINC000065020766 569154117 /nfs/dbraw/zinc/15/41/17/569154117.db2.gz FDFBTAGOQYRQRB-UHFFFAOYSA-N -1 0 404.488 3.149 50 0 HGAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1 ZINC000065097400 569176509 /nfs/dbraw/zinc/17/65/09/569176509.db2.gz JYEUGYSUQIXFDH-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)c(-c2nnc(C)o2)n(C)c1C ZINC000065186499 569192130 /nfs/dbraw/zinc/19/21/30/569192130.db2.gz WEXIGCAODKHMDE-UHFFFAOYSA-N -1 0 410.883 3.463 50 0 HGAARM CCOc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000065249946 569205943 /nfs/dbraw/zinc/20/59/43/569205943.db2.gz FZKDZNXXMZNUMO-UHFFFAOYSA-N -1 0 408.389 3.210 50 0 HGAARM O=c1[nH]c2c(cnn2Cc2ccccc2)c([O-])c1-c1nc(-c2ccc(F)cc2)no1 ZINC000065256930 569208507 /nfs/dbraw/zinc/20/85/07/569208507.db2.gz XRDQATBFAJXXAH-UHFFFAOYSA-N -1 0 403.373 3.335 50 0 HGAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)cc2c(=O)[nH]nc1-2 ZINC000524732480 569213233 /nfs/dbraw/zinc/21/32/33/569213233.db2.gz HYCRMXCQLQSPDB-CYBMUJFWSA-N -1 0 410.213 3.246 50 0 HGAARM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000007423556 569237869 /nfs/dbraw/zinc/23/78/69/569237869.db2.gz QICVHUSBGCOJAB-UHFFFAOYSA-N -1 0 402.925 3.219 50 0 HGAARM Cc1ccc(C(=O)c2c([N-]S(=O)(=O)c3ccc(F)c(F)c3)nc3n2CCC3)cc1 ZINC000170595636 569241701 /nfs/dbraw/zinc/24/17/01/569241701.db2.gz WLZAMLSFRXRPHK-UHFFFAOYSA-N -1 0 417.437 3.448 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](C)CC2)cc1 ZINC000170613055 569246764 /nfs/dbraw/zinc/24/67/64/569246764.db2.gz ZKSQULWTMKYYSS-HNNXBMFYSA-N -1 0 420.556 3.464 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(CC(N)=O)Cc3ccccc3)c2)s1 ZINC000170617480 569248085 /nfs/dbraw/zinc/24/80/85/569248085.db2.gz VZEGIGYYNWBVHM-UHFFFAOYSA-N -1 0 415.540 3.349 50 0 HGAARM CCOc1ccc(C2=N/C(=C\c3ccccc3OCC(=O)[O-])C(=O)O2)cc1OCC ZINC000013338224 569255237 /nfs/dbraw/zinc/25/52/37/569255237.db2.gz IXBCMIKCMJRRFS-WJDWOHSUSA-N -1 0 411.410 3.292 50 0 HGAARM Cc1c(O)ccc2c(C)c(CCC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002096750 569281014 /nfs/dbraw/zinc/28/10/14/569281014.db2.gz CCOOPZMQWBKIGQ-UHFFFAOYSA-N -1 0 401.459 3.055 50 0 biogenic HGAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002099137 569281117 /nfs/dbraw/zinc/28/11/17/569281117.db2.gz YNEXZIKRUMLSIL-YOEHRIQHSA-N -1 0 403.475 3.437 50 0 biogenic HGAARM COc1cc2oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(C)c2cc1Cl ZINC000002116998 569284687 /nfs/dbraw/zinc/28/46/87/569284687.db2.gz HZRJBYGCMKVULA-IBGZPJMESA-N -1 0 415.829 3.248 50 0 biogenic HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N[C@H]3OC(=O)c4ccccc43)cc2)n1 ZINC000002205238 569296398 /nfs/dbraw/zinc/29/63/98/569296398.db2.gz CCPOZYQUVMQFMJ-SFHVURJKSA-N -1 0 410.455 3.175 50 0 HGAARM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000136041763 569359244 /nfs/dbraw/zinc/35/92/44/569359244.db2.gz GIRNNZHTRKWVQL-NJYVYQBISA-N -1 0 414.417 3.436 50 0 HGAARM Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000253412282 569366567 /nfs/dbraw/zinc/36/65/67/569366567.db2.gz QMEVYLANLFRDTM-IBGZPJMESA-N -1 0 419.433 3.244 50 0 biogenic HGAARM C[C@H]1SCCN(C(=O)c2cccc(C(=O)N3CCS[C@@H](C)[C@H]3C)c2[O-])[C@@H]1C ZINC000253424368 569367997 /nfs/dbraw/zinc/36/79/97/569367997.db2.gz FFDWXPJAGOWYLK-TUVASFSCSA-N -1 0 408.589 3.324 50 0 HGAARM CCCCNC(=O)c1c(N)n(-c2cccc(C(=O)[O-])c2)c2nc3ccccc3nc21 ZINC000002355167 569385334 /nfs/dbraw/zinc/38/53/34/569385334.db2.gz GRWAXPDJLOKYIK-UHFFFAOYSA-N -1 0 403.442 3.384 50 0 HGAARM CCOC(=O)c1ccccc1OCc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC ZINC000002417151 569397351 /nfs/dbraw/zinc/39/73/51/569397351.db2.gz VZTDKGMQALZQHJ-APWZRJJASA-N -1 0 417.483 3.239 50 0 HGAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2=O)s1 ZINC000008589482 571084836 /nfs/dbraw/zinc/08/48/36/571084836.db2.gz ZIUXZVWMIZXHPF-UHFFFAOYSA-N -1 0 419.406 3.072 50 0 HGAARM COc1ccc(OC)c2c1cc(C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])n2C ZINC000008764320 571114699 /nfs/dbraw/zinc/11/46/99/571114699.db2.gz MGGIJDNVBXFVQI-KRWDZBQOSA-N -1 0 421.453 3.103 50 0 biogenic HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1 ZINC000039931495 571134843 /nfs/dbraw/zinc/13/48/43/571134843.db2.gz IUAHYZXBMPQZBX-UHFFFAOYSA-N -1 0 408.487 3.085 50 0 HGAARM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000040088143 571158559 /nfs/dbraw/zinc/15/85/59/571158559.db2.gz GVWIQNQDQQZOSA-UHFFFAOYSA-N -1 0 424.404 3.357 50 0 HGAARM NC(=O)COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 ZINC000040267229 571214270 /nfs/dbraw/zinc/21/42/70/571214270.db2.gz URLVQRMMFIHXFA-MRXNPFEDSA-N -1 0 405.410 3.163 50 0 HGAARM O=C1N[C@H](c2ccc3ncccc3c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000009090846 571220568 /nfs/dbraw/zinc/22/05/68/571220568.db2.gz HKFUBPZSIICYSI-RKVPGOIHSA-N -1 0 421.400 3.400 50 0 HGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009168882 571233434 /nfs/dbraw/zinc/23/34/34/571233434.db2.gz XEZNIRDDLSFWIX-UHFFFAOYSA-N -1 0 404.488 3.470 50 0 HGAARM O=C([O-])c1cnc(SCC(=O)NCCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000009282810 571244753 /nfs/dbraw/zinc/24/47/53/571244753.db2.gz ACZNDKNYMKQVBO-UHFFFAOYSA-N -1 0 417.437 3.300 50 0 HGAARM CCOc1ccc(NC(=O)CSc2[n-]c3ccccc3c(=O)c2C(=O)OC)cc1 ZINC000009300274 571246024 /nfs/dbraw/zinc/24/60/24/571246024.db2.gz FMTAUDGFTZNYTD-UHFFFAOYSA-N -1 0 412.467 3.444 50 0 HGAARM COc1ccc(Cc2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)[O-])S3)cc1OC ZINC000009578623 571270061 /nfs/dbraw/zinc/27/00/61/571270061.db2.gz BSAJSIBDORGBSP-KRWDZBQOSA-N -1 0 424.482 3.088 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1nccs1 ZINC000009818884 571286165 /nfs/dbraw/zinc/28/61/65/571286165.db2.gz XXNRTPISIWQIHG-UHFFFAOYSA-N -1 0 414.921 3.235 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCc1ccc(Cl)cc1 ZINC000009828693 571286944 /nfs/dbraw/zinc/28/69/44/571286944.db2.gz HCFPMOCKEZYXEC-UHFFFAOYSA-N -1 0 421.931 3.456 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc1 ZINC000009828647 571286954 /nfs/dbraw/zinc/28/69/54/571286954.db2.gz NEXXHYHOPFJTSV-UHFFFAOYSA-N -1 0 421.475 3.273 50 0 HGAARM CC(C)n1nc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c2ccccc2c1=O ZINC000009877461 571289270 /nfs/dbraw/zinc/28/92/70/571289270.db2.gz DAUBICJZDNFVRS-UHFFFAOYSA-N -1 0 423.425 3.089 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)s1 ZINC000005144773 132303153 /nfs/dbraw/zinc/30/31/53/132303153.db2.gz DFNPENURDFTAFB-UHFFFAOYSA-N -1 0 416.528 3.151 50 0 HGAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000012180482 132355763 /nfs/dbraw/zinc/35/57/63/132355763.db2.gz LBKYUNLTFVFSBI-UHFFFAOYSA-N -1 0 414.936 3.243 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)cc1 ZINC000032950941 521130037 /nfs/dbraw/zinc/13/00/37/521130037.db2.gz NNPLUIKWDUFZKS-UHFFFAOYSA-N -1 0 404.423 3.001 50 0 HGAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1 ZINC000020574759 521171756 /nfs/dbraw/zinc/17/17/56/521171756.db2.gz OWFMLFRVGKFFTQ-UHFFFAOYSA-N -1 0 421.500 3.097 50 0 HGAARM COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000032900787 521897821 /nfs/dbraw/zinc/89/78/21/521897821.db2.gz MXTOQUSHUFMYMC-UHFFFAOYSA-N -1 0 401.362 3.057 50 0 HGAARM COc1cc2c(cc1OC)CN(C(=O)CCc1c[nH]c3ccccc13)[C@@H](C(=O)[O-])C2 ZINC000020426370 523024973 /nfs/dbraw/zinc/02/49/73/523024973.db2.gz VYPZDXUVRGZVSW-LJQANCHMSA-N -1 0 408.454 3.156 50 0 HGAARM Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSCc1cccc(C(=O)[O-])c1 ZINC000032885597 524270092 /nfs/dbraw/zinc/27/00/92/524270092.db2.gz ABJVVZBEHPEFNT-UHFFFAOYSA-N -1 0 400.500 3.332 50 0 HGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H]2C[C@H](C)OC2=O)c(C)c1 ZINC000032879579 524327163 /nfs/dbraw/zinc/32/71/63/524327163.db2.gz KZASZQMIJKSXFD-MAUKXSAKSA-N -1 0 417.483 3.273 50 0 HGAARM Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(=O)[n-]2)c1C ZINC000032836321 524604883 /nfs/dbraw/zinc/60/48/83/524604883.db2.gz OCDKHCTUBRXXHY-UHFFFAOYSA-N -1 0 424.482 3.363 50 0 HGAARM COc1ccc(OC)c([C@H]2c3nc[nH]c3CCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000040313134 524920353 /nfs/dbraw/zinc/92/03/53/524920353.db2.gz JZRIJJNAZWFKRE-FQEVSTJZSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)c1 ZINC000032944040 525697854 /nfs/dbraw/zinc/69/78/54/525697854.db2.gz RTZHYWHLHJQGIU-ZDUSSCGKSA-N -1 0 403.529 3.428 50 0 HGAARM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000032106006 526315639 /nfs/dbraw/zinc/31/56/39/526315639.db2.gz RMSZLZDXAWVVIX-FQEVSTJZSA-N -1 0 421.453 3.343 50 0 HGAARM O=C([O-])CCC/C=C/C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 ZINC000043898769 527572765 /nfs/dbraw/zinc/57/27/65/527572765.db2.gz VJGGHXVGBSZVMZ-SHRDKJHOSA-N -1 0 424.921 3.195 50 0 in-vitro HGAARM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)CC1 ZINC000022626238 557081313 /nfs/dbraw/zinc/08/13/13/557081313.db2.gz QUGMFKLALZNCCV-INIZCTEOSA-N -1 0 418.494 3.308 50 0 HGAARM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000804537 557085905 /nfs/dbraw/zinc/08/59/05/557085905.db2.gz DIGPEQAGZSJXRL-GOSISDBHSA-N -1 0 412.471 3.074 50 0 HGAARM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000804536 557085920 /nfs/dbraw/zinc/08/59/20/557085920.db2.gz DIGPEQAGZSJXRL-SFHVURJKSA-N -1 0 412.471 3.074 50 0 HGAARM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000840727 557097808 /nfs/dbraw/zinc/09/78/08/557097808.db2.gz YGTQEBVKPISRBX-UHFFFAOYSA-N -1 0 414.277 3.128 50 0 HGAARM O=C([O-])c1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 ZINC000000855956 557102794 /nfs/dbraw/zinc/10/27/94/557102794.db2.gz JPXBHNPNQXUXHV-UHFFFAOYSA-N -1 0 412.357 3.354 50 0 HGAARM O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000858379 557103693 /nfs/dbraw/zinc/10/36/93/557103693.db2.gz LHJPATKHUWSVDI-UHFFFAOYSA-N -1 0 407.448 3.101 50 0 HGAARM COc1ccccc1C(=O)N/C(=C/c1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000915762 557117197 /nfs/dbraw/zinc/11/71/97/557117197.db2.gz IABSIEFWRINYHB-QGOAFFKASA-N -1 0 406.394 3.396 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 ZINC000000945087 557122890 /nfs/dbraw/zinc/12/28/90/557122890.db2.gz DEGPQVZESOTUIU-UHFFFAOYSA-N -1 0 418.425 3.425 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000953478 557125456 /nfs/dbraw/zinc/12/54/56/557125456.db2.gz FHMLDKPFAYXUSA-AWEZNQCLSA-N -1 0 407.797 3.333 50 0 HGAARM COc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)[O-])c4)cc3C2=O)cc1 ZINC000001085682 557176562 /nfs/dbraw/zinc/17/65/62/557176562.db2.gz IUCPAQGYGLMILD-UHFFFAOYSA-N -1 0 416.389 3.446 50 0 HGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1OCc1ccccc1 ZINC000001138893 557202565 /nfs/dbraw/zinc/20/25/65/557202565.db2.gz LFOIQUWABKDECO-VGOFMYFVSA-N -1 0 403.232 3.217 50 0 HGAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000001142933 557205558 /nfs/dbraw/zinc/20/55/58/557205558.db2.gz AWNQZLJWTHGMSE-UHFFFAOYSA-N -1 0 424.478 3.189 50 0 HGAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000002262660 557332422 /nfs/dbraw/zinc/33/24/22/557332422.db2.gz MDQFKYBTTJJRFP-UHFFFAOYSA-N -1 0 412.471 3.237 50 0 HGAARM COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(OC)c2)C1=O ZINC000002812560 557394417 /nfs/dbraw/zinc/39/44/17/557394417.db2.gz ZWNRGKAUJLRJDV-YVLHZVERSA-N -1 0 415.423 3.408 50 0 HGAARM CCCOc1ccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)c(=O)[n-]2)cc1 ZINC000034763808 557461212 /nfs/dbraw/zinc/46/12/12/557461212.db2.gz FSYWGVJJBXRALK-UHFFFAOYSA-N -1 0 410.449 3.421 50 0 HGAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000034764452 557461474 /nfs/dbraw/zinc/46/14/74/557461474.db2.gz OMOAFDFNOOBISB-UHFFFAOYSA-N -1 0 410.449 3.420 50 0 HGAARM CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCC3CCC3)c(OC)c2)[n-]c1=O ZINC000034767293 557462435 /nfs/dbraw/zinc/46/24/35/557462435.db2.gz JJSUSVOTPRFKSM-AWEZNQCLSA-N -1 0 414.506 3.279 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@](F)(Cl)C(F)(F)F ZINC000003876470 557502055 /nfs/dbraw/zinc/50/20/55/557502055.db2.gz CXNGXCIPGWQSHZ-NSHDSACASA-N -1 0 417.793 3.349 50 0 HGAARM CCOC(=O)c1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651249 557575773 /nfs/dbraw/zinc/57/57/73/557575773.db2.gz LZRQANCBNIXHPF-QZTJIDSGSA-N -1 0 417.458 3.426 50 0 HGAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000004675023 557579905 /nfs/dbraw/zinc/57/99/05/557579905.db2.gz SZBAPACKXBSXCX-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM Cn1cc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cn1 ZINC000521394028 557613216 /nfs/dbraw/zinc/61/32/16/557613216.db2.gz QRBRWXDSSLZBEA-MRXNPFEDSA-N -1 0 405.454 3.202 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000004969718 557618521 /nfs/dbraw/zinc/61/85/21/557618521.db2.gz AVYDVNCKZDPXGU-VQTJNVASSA-N -1 0 405.458 3.050 50 0 HGAARM CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C1=O ZINC000006491888 557705248 /nfs/dbraw/zinc/70/52/48/557705248.db2.gz PENHAUUIMDHTLY-BJMVGYQFSA-N -1 0 420.668 3.408 50 0 HGAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC(C)(C)O4)c(Cl)cc21 ZINC000006661219 557712687 /nfs/dbraw/zinc/71/26/87/557712687.db2.gz KKLKKDFWTCQPOY-UHFFFAOYSA-N -1 0 410.835 3.093 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)no1 ZINC000006858616 557727044 /nfs/dbraw/zinc/72/70/44/557727044.db2.gz ARMZWJZGWOHBIP-OAHLLOKOSA-N -1 0 415.471 3.498 50 0 HGAARM CC(C)C(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002682789 557740173 /nfs/dbraw/zinc/74/01/73/557740173.db2.gz LGQYQFNCMOXLCD-LBPRGKRZSA-N -1 0 412.726 3.140 50 0 HGAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Cl)CCCCCC3 ZINC000002778849 557761205 /nfs/dbraw/zinc/76/12/05/557761205.db2.gz XRIOJSVVTPBFSW-UHFFFAOYSA-N -1 0 405.911 3.196 50 0 HGAARM COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000008684174 557799890 /nfs/dbraw/zinc/79/98/90/557799890.db2.gz GSFXSFLLWNKGBG-XEZPLFJOSA-N -1 0 416.446 3.026 50 0 HGAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852281 557839790 /nfs/dbraw/zinc/83/97/90/557839790.db2.gz YYYAVTGXSSJOQF-MRXNPFEDSA-N -1 0 414.462 3.442 50 0 HGAARM CCCNC(=O)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000019879135 558300255 /nfs/dbraw/zinc/30/02/55/558300255.db2.gz DJNSGMKYHCBLHE-CYBMUJFWSA-N -1 0 423.922 3.229 50 0 HGAARM CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020289861 558353983 /nfs/dbraw/zinc/35/39/83/558353983.db2.gz FVSXNJJHJWCHEZ-XUTLUUPISA-N -1 0 416.481 3.243 50 0 HGAARM O=C([O-])c1cc(I)cn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000012336774 558385766 /nfs/dbraw/zinc/38/57/66/558385766.db2.gz ZGXXTAMVMJKHER-UHFFFAOYSA-N -1 0 423.128 3.218 50 0 HGAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000004355634 558443249 /nfs/dbraw/zinc/44/32/49/558443249.db2.gz MVEATDDUZNPPDJ-UNOMPAQXSA-N -1 0 406.417 3.372 50 0 HGAARM CCc1nc2ccc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)cc2nc1CC ZINC000022321743 558478203 /nfs/dbraw/zinc/47/82/03/558478203.db2.gz TVEFIYOWFLGYQG-UHFFFAOYSA-N -1 0 407.499 3.325 50 0 HGAARM CCCc1nnc(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)n1CC(=O)[O-] ZINC000012983414 558494423 /nfs/dbraw/zinc/49/44/23/558494423.db2.gz MURMVCXJQRASHZ-OAHLLOKOSA-N -1 0 418.563 3.483 50 0 HGAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000023078172 558533441 /nfs/dbraw/zinc/53/34/41/558533441.db2.gz XWJPGLXJSJZMGO-GASCZTMLSA-N -1 0 406.479 3.184 50 0 HGAARM COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2ccc(CC(=O)[O-])cc2)C1=O ZINC000023466442 558558910 /nfs/dbraw/zinc/55/89/10/558558910.db2.gz GMIFWDJFGUBVJZ-HNNXBMFYSA-N -1 0 402.834 3.028 50 0 HGAARM CCCCc1c([O-])nc(SCC(=O)N(CC)CC)n(-c2ccccc2OC)c1=O ZINC000013774401 558592333 /nfs/dbraw/zinc/59/23/33/558592333.db2.gz CUXRBMDZIXQTHF-UHFFFAOYSA-N -1 0 419.547 3.250 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000004483295 558602931 /nfs/dbraw/zinc/60/29/31/558602931.db2.gz WFOWWIKOAMPKDP-NHCUHLMSSA-N -1 0 419.485 3.304 50 0 HGAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000014202410 558637620 /nfs/dbraw/zinc/63/76/20/558637620.db2.gz HRQNNWJPWHBIRH-UHFFFAOYSA-N -1 0 403.529 3.074 50 0 HGAARM COc1cccc(NC(=O)CSc2nc([O-])c(C)c(=O)n2-c2ccc(F)cc2)c1 ZINC000014406398 558654264 /nfs/dbraw/zinc/65/42/64/558654264.db2.gz MDOAUXJMSLRZQV-UHFFFAOYSA-N -1 0 415.446 3.125 50 0 HGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccn2)c1 ZINC000028872452 558706349 /nfs/dbraw/zinc/70/63/49/558706349.db2.gz HCDQEQPZAUDQEK-UHFFFAOYSA-N -1 0 409.511 3.472 50 0 HGAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1C ZINC000030530912 558731725 /nfs/dbraw/zinc/73/17/25/558731725.db2.gz GBAJUOVNJWOCPA-UHFFFAOYSA-N -1 0 402.472 3.038 50 0 HGAARM CSCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000015746145 558751446 /nfs/dbraw/zinc/75/14/46/558751446.db2.gz JZNHBMVRHOSNRJ-XDPMZMSMSA-N -1 0 422.890 3.026 50 0 HGAARM COC(=O)c1sc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(C(=O)OC)c1C ZINC000017087908 558816732 /nfs/dbraw/zinc/81/67/32/558816732.db2.gz BKDRGVQVANCHNU-UHFFFAOYSA-N -1 0 408.457 3.137 50 0 HGAARM O=C([O-])COCC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000017093907 558822253 /nfs/dbraw/zinc/82/22/53/558822253.db2.gz QNOCFCSOKKGZJV-UHFFFAOYSA-N -1 0 424.478 3.385 50 0 HGAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2cccc3nccnc32)C1 ZINC000072314688 558848357 /nfs/dbraw/zinc/84/83/57/558848357.db2.gz FJLSNVJDQNQOAO-SFHVURJKSA-N -1 0 404.426 3.181 50 0 HGAARM Cc1nn(C)c(C)c1OCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000170592062 558851726 /nfs/dbraw/zinc/85/17/26/558851726.db2.gz JKWZYEAHWFWXLY-UHFFFAOYSA-N -1 0 403.438 3.152 50 0 HGAARM O=C([O-])c1cc(-c2ccc3cc[nH]c3c2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071774507 558911422 /nfs/dbraw/zinc/91/14/22/558911422.db2.gz HKAQJUXQEQNHCP-UHFFFAOYSA-N -1 0 402.497 3.271 50 0 HGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000004717515 558915932 /nfs/dbraw/zinc/91/59/32/558915932.db2.gz CIAGLHMKBXRMMD-SFHVURJKSA-N -1 0 401.459 3.367 50 0 HGAARM Cc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(Br)c1 ZINC000058391574 558923393 /nfs/dbraw/zinc/92/33/93/558923393.db2.gz BJDKCCDESHLBQH-UHFFFAOYSA-N -1 0 400.250 3.271 50 0 HGAARM CCc1sc(C2=N/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)O2)cc1C ZINC000096997856 559016761 /nfs/dbraw/zinc/01/67/61/559016761.db2.gz QTCPNWJNGQUPBT-MDWZMJQESA-N -1 0 401.440 3.435 50 0 HGAARM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)cc(OC)c1OC ZINC000023157947 559022516 /nfs/dbraw/zinc/02/25/16/559022516.db2.gz GTABXKFJRZSEAR-INIZCTEOSA-N -1 0 418.519 3.406 50 0 HGAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000033298919 559048108 /nfs/dbraw/zinc/04/81/08/559048108.db2.gz PYHURHKMOZNYAW-UHFFFAOYSA-N -1 0 418.468 3.169 50 0 HGAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2s1 ZINC000033299051 559048368 /nfs/dbraw/zinc/04/83/68/559048368.db2.gz QNIUBJCTADJRJD-UHFFFAOYSA-N -1 0 414.505 3.420 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100636541 559137201 /nfs/dbraw/zinc/13/72/01/559137201.db2.gz TXAXKSIWVDFVKD-MRXNPFEDSA-N -1 0 401.879 3.359 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NC4CCCCC4)c3=O)c2c1 ZINC000004950916 559215709 /nfs/dbraw/zinc/21/57/09/559215709.db2.gz ZNJHQRIUPNCNDY-UHFFFAOYSA-N -1 0 400.504 3.388 50 0 HGAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)c2)nn1 ZINC000005204274 560538516 /nfs/dbraw/zinc/53/85/16/560538516.db2.gz XAMXIHXPYCUKBX-UHFFFAOYSA-N -1 0 415.471 3.360 50 0 HGAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000005246886 560550756 /nfs/dbraw/zinc/55/07/56/560550756.db2.gz IIBPKUIVIDQZIS-PMACEKPBSA-N -1 0 424.497 3.161 50 0 HGAARM CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@H](c2ccccc2OC)C1 ZINC000061983953 560564706 /nfs/dbraw/zinc/56/47/06/560564706.db2.gz XNZYHESERSNXLS-IBGZPJMESA-N -1 0 401.488 3.154 50 0 HGAARM O=C([O-])CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000016527364 560636739 /nfs/dbraw/zinc/63/67/39/560636739.db2.gz NQYKBHPPOJMPRT-LJQANCHMSA-N -1 0 417.259 3.184 50 0 HGAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc21 ZINC000017247929 560704799 /nfs/dbraw/zinc/70/47/99/560704799.db2.gz MYXFOLHMKIWSQN-UHFFFAOYSA-N -1 0 404.488 3.194 50 0 HGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000000857804 560725992 /nfs/dbraw/zinc/72/59/92/560725992.db2.gz KWDLCCBHLVOROX-UHFFFAOYSA-N -1 0 400.250 3.045 50 0 HGAARM COc1cc(OC)cc(C(=O)/N=c2\sc3c(cc(C)cc3C)n2CC(=O)[O-])c1 ZINC000100969448 560765091 /nfs/dbraw/zinc/76/50/91/560765091.db2.gz XBAVAXSGHVLUJV-MRCUWXFGSA-N -1 0 400.456 3.163 50 0 HGAARM COc1ccc(I)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000170615124 560767875 /nfs/dbraw/zinc/76/78/75/560767875.db2.gz SDARXHZLXPCOPC-LLVKDONJSA-N -1 0 417.268 3.339 50 0 HGAARM COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(O)=C23)c1 ZINC000101311263 560791350 /nfs/dbraw/zinc/79/13/50/560791350.db2.gz ZQMDGDPYCDZGDY-WBVHZDCISA-N -1 0 421.236 3.303 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCCc3ccccc3)c([O-])c3cccnc32)c1 ZINC000101722458 560798816 /nfs/dbraw/zinc/79/88/16/560798816.db2.gz KIFCDMUJXSIVNA-UHFFFAOYSA-N -1 0 415.449 3.072 50 0 biogenic HGAARM COc1ccccc1[C@H]1CC(c2c([O-])n(C)c(=O)n(C)c2=O)=Nc2ccccc2S1 ZINC000101766359 560799729 /nfs/dbraw/zinc/79/97/29/560799729.db2.gz YGVSJCXINWEJQC-GOSISDBHSA-N -1 0 423.494 3.156 50 0 HGAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccccc1F ZINC000101836124 560803538 /nfs/dbraw/zinc/80/35/38/560803538.db2.gz YMVBYGPGLPGKCG-QGZVFWFLSA-N -1 0 408.389 3.267 50 0 HGAARM CCN(CC)C(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000102928821 560834728 /nfs/dbraw/zinc/83/47/28/560834728.db2.gz AELIZVYXMIZCNY-UHFFFAOYSA-N -1 0 423.538 3.489 50 0 HGAARM COC(=O)[C@](NNc1ccccc1)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000104298995 560850254 /nfs/dbraw/zinc/85/02/54/560850254.db2.gz DIVMMEGVAWELEI-LJQANCHMSA-N -1 0 420.391 3.434 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1Cl ZINC000101262190 560851512 /nfs/dbraw/zinc/85/15/12/560851512.db2.gz HSZGVDYKASHYPC-SJORKVTESA-N -1 0 422.832 3.192 50 0 HGAARM COc1ccc(-n2nc3c4cc(C(=O)NCc5ccco5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281790 560851640 /nfs/dbraw/zinc/85/16/40/560851640.db2.gz IZJRPNBEDDBRFQ-UHFFFAOYSA-N -1 0 414.421 3.350 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101311508 560851651 /nfs/dbraw/zinc/85/16/51/560851651.db2.gz TUAGTORCVWJZEF-DLBZAZTESA-N -1 0 422.832 3.192 50 0 HGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(O)cc2)CC(=O)N3)c(OC)c1 ZINC000049543233 568451135 /nfs/dbraw/zinc/45/11/35/568451135.db2.gz KNQDXDOCQRZHTO-HNNXBMFYSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000627569 568456112 /nfs/dbraw/zinc/45/61/12/568456112.db2.gz HYBBUZCLWSYURK-LSDHHAIUSA-N -1 0 410.426 3.497 50 0 HGAARM O=S(=O)([N-]c1cnn(C[C@@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000390827805 568591611 /nfs/dbraw/zinc/59/16/11/568591611.db2.gz KIWSIDKZJRQHFH-AWEZNQCLSA-N -1 0 405.398 3.152 50 0 HGAARM COc1ccc(NC(=O)Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000020331703 568599402 /nfs/dbraw/zinc/59/94/02/568599402.db2.gz LRKJDVBLKLCZJU-UHFFFAOYSA-N -1 0 410.455 3.196 50 0 HGAARM C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000095464531 568622519 /nfs/dbraw/zinc/62/25/19/568622519.db2.gz YWXHPUXCERPYIB-ZDUSSCGKSA-N -1 0 404.517 3.116 50 0 HGAARM C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000095464532 568622536 /nfs/dbraw/zinc/62/25/36/568622536.db2.gz YWXHPUXCERPYIB-CYBMUJFWSA-N -1 0 404.517 3.116 50 0 HGAARM CCOC(=O)c1cc2cccnc2nc1[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000225395270 568633797 /nfs/dbraw/zinc/63/37/97/568633797.db2.gz SZMCZKAAHFNSDT-UHFFFAOYSA-N -1 0 421.862 3.269 50 0 HGAARM CCCCN1Cc2cccc([N-]S(=O)(=O)c3c(Br)cnn3C)c2C1 ZINC000225662574 568661366 /nfs/dbraw/zinc/66/13/66/568661366.db2.gz QERMHHGCLVLORU-UHFFFAOYSA-N -1 0 413.341 3.099 50 0 HGAARM COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000095970581 568671488 /nfs/dbraw/zinc/67/14/88/568671488.db2.gz MVSQOHRDYHKLAJ-AWEZNQCLSA-N -1 0 409.442 3.007 50 0 HGAARM COC(=O)C[C@H](c1ccc2ncccc2c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117786 568697297 /nfs/dbraw/zinc/69/72/97/568697297.db2.gz DKYMXKWLLZRUCP-OAHLLOKOSA-N -1 0 409.829 3.297 50 0 HGAARM COc1cc(C=CC(=O)Oc2ccc(N3CC(=O)N=C3[O-])cc2)ccc1OC(C)C ZINC000096309000 568723528 /nfs/dbraw/zinc/72/35/28/568723528.db2.gz PVACARFDFAIDCM-WZUFQYTHSA-N -1 0 410.426 3.157 50 0 HGAARM CCCOc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)ccc1Br ZINC000252485125 568752112 /nfs/dbraw/zinc/75/21/12/568752112.db2.gz GNWIKXAKYQYEHF-UHFFFAOYSA-N -1 0 413.293 3.138 50 0 HGAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000000949262 568755394 /nfs/dbraw/zinc/75/53/94/568755394.db2.gz FZEDKXOPWINMGL-UHFFFAOYSA-N -1 0 401.444 3.435 50 0 HGAARM CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000021883354 568758111 /nfs/dbraw/zinc/75/81/11/568758111.db2.gz MEQUNSKLZZMVSU-UHFFFAOYSA-N -1 0 415.446 3.356 50 0 HGAARM Cc1nc2sc([C@@H](c3ccco3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022459056 568768226 /nfs/dbraw/zinc/76/82/26/568768226.db2.gz XBYQNPDQLZDCEJ-GOSISDBHSA-N -1 0 409.515 3.305 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000097161240 568769033 /nfs/dbraw/zinc/76/90/33/568769033.db2.gz JFNNKHUKUOMPEX-UHFFFAOYSA-N -1 0 408.867 3.134 50 0 HGAARM CN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1 ZINC000022577363 568770160 /nfs/dbraw/zinc/77/01/60/568770160.db2.gz ADAJVMBHULSIGP-INIZCTEOSA-N -1 0 413.478 3.232 50 0 HGAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000002566756 568784272 /nfs/dbraw/zinc/78/42/72/568784272.db2.gz ZDPOBRPTAWHTMQ-CQSZACIVSA-N -1 0 418.696 3.077 50 0 HGAARM CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(=O)[O-])cc1 ZINC000002932380 568818483 /nfs/dbraw/zinc/81/84/83/568818483.db2.gz YXRGUMQFNLSVEG-UHFFFAOYSA-N -1 0 417.512 3.226 50 0 HGAARM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000005881802 568828129 /nfs/dbraw/zinc/82/81/29/568828129.db2.gz UKRUPNSNVMQQOZ-UHFFFAOYSA-N -1 0 412.508 3.110 50 0 HGAARM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000012521292 568841633 /nfs/dbraw/zinc/84/16/33/568841633.db2.gz HCHVLKNHJGJONW-UHFFFAOYSA-N -1 0 402.497 3.063 50 0 HGAARM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)N1CCC1 ZINC000012536115 568845493 /nfs/dbraw/zinc/84/54/93/568845493.db2.gz ZAQOBFZBRUOADA-UHFFFAOYSA-N -1 0 401.307 3.157 50 0 HGAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCCCC1 ZINC000003043856 568848336 /nfs/dbraw/zinc/84/83/36/568848336.db2.gz JSBZTARYHDVIJV-UHFFFAOYSA-N -1 0 423.494 3.088 50 0 HGAARM COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)[O-])cc1OC ZINC000012556949 568855933 /nfs/dbraw/zinc/85/59/33/568855933.db2.gz ADKDAJSJABRKLC-UHFFFAOYSA-N -1 0 405.350 3.222 50 0 HGAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000003395988 568857862 /nfs/dbraw/zinc/85/78/62/568857862.db2.gz ZIYBWVHYRIBJPN-UHFFFAOYSA-N -1 0 414.277 3.420 50 0 HGAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)NC1CCCCC1 ZINC000003270008 568870364 /nfs/dbraw/zinc/87/03/64/568870364.db2.gz JWUYEOWKOMTYAL-UHFFFAOYSA-N -1 0 422.528 3.155 50 0 HGAARM CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000004025501 568878163 /nfs/dbraw/zinc/87/81/63/568878163.db2.gz GHPORMLBYXHFAV-HQIOBYMBSA-N -1 0 416.514 3.240 50 0 biogenic HGAARM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1OC(F)F ZINC000059000082 568880667 /nfs/dbraw/zinc/88/06/67/568880667.db2.gz PRQHXJMNGKOFCY-UHFFFAOYSA-N -1 0 413.398 3.284 50 0 HGAARM Cc1ncc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)s1 ZINC000084290655 568945734 /nfs/dbraw/zinc/94/57/34/568945734.db2.gz QLNFCDNNBVBNME-UHFFFAOYSA-N -1 0 407.496 3.376 50 0 HGAARM CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000007987946 568965544 /nfs/dbraw/zinc/96/55/44/568965544.db2.gz SHZPXYSZMWOQOI-UHFFFAOYSA-N -1 0 417.512 3.246 50 0 HGAARM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000015781357 569002492 /nfs/dbraw/zinc/00/24/92/569002492.db2.gz XKPZJPNEGCGXNZ-UHFFFAOYSA-N -1 0 400.547 3.041 50 0 HGAARM CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000016028313 569027889 /nfs/dbraw/zinc/02/78/89/569027889.db2.gz DFGVBCRALAMJNR-LHSJRXKWSA-N -1 0 409.438 3.453 50 0 biogenic HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F ZINC000012942204 569028683 /nfs/dbraw/zinc/02/86/83/569028683.db2.gz OPSMFGOGFWPKGF-UHFFFAOYSA-N -1 0 423.445 3.355 50 0 HGAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CCc3ccccc32)cc1 ZINC000006368843 569046034 /nfs/dbraw/zinc/04/60/34/569046034.db2.gz XFGZFDCIIMFUCN-UHFFFAOYSA-N -1 0 411.512 3.037 50 0 HGAARM O=S(=O)([N-]c1cc(F)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000012987376 569047521 /nfs/dbraw/zinc/04/75/21/569047521.db2.gz CGDOJZDPJRRTLT-UHFFFAOYSA-N -1 0 407.341 3.339 50 0 HGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3)[C@H](C)C2)c(C(=O)[O-])c1 ZINC000064580627 569068569 /nfs/dbraw/zinc/06/85/69/569068569.db2.gz DTXLKMLBWATREQ-MRXNPFEDSA-N -1 0 417.531 3.170 50 0 HGAARM COc1cc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1C ZINC000089534624 569070001 /nfs/dbraw/zinc/07/00/01/569070001.db2.gz VXYFZMWXWMBHKP-UHFFFAOYSA-N -1 0 404.271 3.438 50 0 HGAARM CCOC(=O)[C@@H]1CCCN([C@@H](c2cccs2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000016690079 569070604 /nfs/dbraw/zinc/07/06/04/569070604.db2.gz UDDGGNMQFSPRFE-DOMZBBRYSA-N -1 0 420.560 3.485 50 0 HGAARM CC(=O)c1ccc(-c2ccc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)o2)cc1 ZINC000006654076 569082744 /nfs/dbraw/zinc/08/27/44/569082744.db2.gz BENPHSGPEBQKCH-HSZRJFAPSA-N -1 0 417.421 3.261 50 0 HGAARM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2n(CC)c1=O ZINC000064775633 569093581 /nfs/dbraw/zinc/09/35/81/569093581.db2.gz OGNJPHBAUYANAL-UHFFFAOYSA-N -1 0 409.895 3.306 50 0 HGAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccs2)CC1 ZINC000064820562 569102655 /nfs/dbraw/zinc/10/26/55/569102655.db2.gz LMAZYQDHPROFSO-UHFFFAOYSA-N -1 0 402.472 3.478 50 0 HGAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920294 569121123 /nfs/dbraw/zinc/12/11/23/569121123.db2.gz PRKPRLDPTXJNPF-UHFFFAOYSA-N -1 0 405.457 3.248 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000006816065 569137508 /nfs/dbraw/zinc/13/75/08/569137508.db2.gz RKHXTOIPRPEOCH-NHCUHLMSSA-N -1 0 419.485 3.106 50 0 HGAARM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000065097684 569176558 /nfs/dbraw/zinc/17/65/58/569176558.db2.gz VIBHPELMFXQQDQ-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM O=C(NCc1ccccc1Cl)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249879 569205957 /nfs/dbraw/zinc/20/59/57/569205957.db2.gz AVQIVSJXBKNWDY-UHFFFAOYSA-N -1 0 408.845 3.062 50 0 HGAARM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000170592120 569240921 /nfs/dbraw/zinc/24/09/21/569240921.db2.gz OIUZQONJCQCSFJ-MSOLQXFVSA-N -1 0 420.868 3.046 50 0 HGAARM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000170606247 569244334 /nfs/dbraw/zinc/24/43/34/569244334.db2.gz DKIBZSQDFYLQFW-JTQLQIEISA-N -1 0 403.248 3.033 50 0 HGAARM COc1ccc(-c2noc(CSc3nc(=O)c4sccc4[n-]3)n2)c(OC)c1 ZINC000016842922 569264748 /nfs/dbraw/zinc/26/47/48/569264748.db2.gz LTXOKVLVILIIEY-UHFFFAOYSA-N -1 0 402.457 3.344 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000016973905 569269775 /nfs/dbraw/zinc/26/97/75/569269775.db2.gz AHZZBKXKRSERQX-UHFFFAOYSA-N -1 0 422.462 3.292 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000017051041 569272534 /nfs/dbraw/zinc/27/25/34/569272534.db2.gz FTXNFNWTMHBGJK-UHFFFAOYSA-N -1 0 419.503 3.250 50 0 HGAARM COc1ccc2c(C)c(CCC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc2c1C ZINC000002096909 569281016 /nfs/dbraw/zinc/28/10/16/569281016.db2.gz VVMBRBNVTGWWSX-UHFFFAOYSA-N -1 0 415.486 3.358 50 0 biogenic HGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCSC)C(=O)[O-])ccc12 ZINC000002107971 569283247 /nfs/dbraw/zinc/28/32/47/569283247.db2.gz HAIQLUYVHORVIA-INIZCTEOSA-N -1 0 421.515 3.145 50 0 biogenic HGAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002155786 569290212 /nfs/dbraw/zinc/29/02/12/569290212.db2.gz NKZUWQCOEXYFLA-YWZLYKJASA-N -1 0 423.465 3.325 50 0 biogenic HGAARM COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](Nc2ccc(CC(=O)[O-])cc2)C1=O ZINC000007813556 569312323 /nfs/dbraw/zinc/31/23/23/569312323.db2.gz GMIFWDJFGUBVJZ-OAHLLOKOSA-N -1 0 402.834 3.028 50 0 HGAARM CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)[O-])c2ccccc12 ZINC000002255606 569326192 /nfs/dbraw/zinc/32/61/92/569326192.db2.gz JANOETOEKOLHPW-ZHZULCJRSA-N -1 0 418.449 3.210 50 0 HGAARM COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000002280572 569363790 /nfs/dbraw/zinc/36/37/90/569363790.db2.gz DMZJCOCVBFFQRU-GDLUXTLDSA-N -1 0 410.470 3.082 50 0 biogenic HGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000253483616 569381643 /nfs/dbraw/zinc/38/16/43/569381643.db2.gz FYRDRWHCLLNEML-BBEGDGIKSA-N -1 0 403.475 3.437 50 0 HGAARM CCc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000008836674 571123350 /nfs/dbraw/zinc/12/33/50/571123350.db2.gz MGVSRUDXIUBKMA-UHFFFAOYSA-N -1 0 417.878 3.307 50 0 HGAARM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2C1 ZINC000008977022 571197893 /nfs/dbraw/zinc/19/78/93/571197893.db2.gz BVYOZVJPKSFYSB-UHFFFAOYSA-N -1 0 408.907 3.444 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NCc1c(F)cccc1F ZINC000008978049 571198173 /nfs/dbraw/zinc/19/81/73/571198173.db2.gz GCMYITNUPLYPEM-UHFFFAOYSA-N -1 0 423.466 3.461 50 0 HGAARM COc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1 ZINC000009094902 571220706 /nfs/dbraw/zinc/22/07/06/571220706.db2.gz KZGGDCLJJCJQHL-UHFFFAOYSA-N -1 0 421.453 3.198 50 0 HGAARM O=C([O-])C1CCN(C(=O)CCN2C(=O)S/C(=C\c3cccc(Cl)c3)C2=O)CC1 ZINC000009348363 571250482 /nfs/dbraw/zinc/25/04/82/571250482.db2.gz WELWGWKLUWRGDC-PTNGSMBKSA-N -1 0 422.890 3.090 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000009546395 571267695 /nfs/dbraw/zinc/26/76/95/571267695.db2.gz DCXMEAOHURJZBJ-INIZCTEOSA-N -1 0 419.869 3.498 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NC3CCCCCC3)cs2)cc1 ZINC000009828628 571286926 /nfs/dbraw/zinc/28/69/26/571286926.db2.gz PHTSFGOXUNEPAE-UHFFFAOYSA-N -1 0 423.560 3.334 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCC3CCCCC3)cs2)cc1 ZINC000009828607 571287067 /nfs/dbraw/zinc/28/70/67/571287067.db2.gz JSJZPKWWIMBAEM-UHFFFAOYSA-N -1 0 407.561 3.491 50 0 HGAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000010273252 571299046 /nfs/dbraw/zinc/29/90/46/571299046.db2.gz NRMRWCVXFJXLPV-RTBURBONSA-N -1 0 401.426 3.452 50 0 HGAARM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001036004 132235680 /nfs/dbraw/zinc/23/56/80/132235680.db2.gz XSIAIXUYDYNTRA-UHFFFAOYSA-N -1 0 406.504 3.121 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)c1 ZINC000005099646 132301369 /nfs/dbraw/zinc/30/13/69/132301369.db2.gz ONDSOSOJVKYTPF-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=C1C[C@H](c2c[nH]c3ccccc32)NN1 ZINC000008770511 132333281 /nfs/dbraw/zinc/33/32/81/132333281.db2.gz BJHHAILVZSQEOI-OTZFSBHDSA-N -1 0 405.389 3.223 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1NC(=O)c1cccnc1 ZINC000032833723 522756137 /nfs/dbraw/zinc/75/61/37/522756137.db2.gz HTVZFMGGRBLJNQ-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000000652113 557039056 /nfs/dbraw/zinc/03/90/56/557039056.db2.gz TYLXDPULRFOYMC-UHFFFAOYSA-N -1 0 406.464 3.293 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1OC ZINC000000678079 557054201 /nfs/dbraw/zinc/05/42/01/557054201.db2.gz COUVAXBSCMRTOL-UHFFFAOYSA-N -1 0 419.484 3.213 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)s1 ZINC000000705517 557063675 /nfs/dbraw/zinc/06/36/75/557063675.db2.gz FZDSNYXVSHIUTN-UHFFFAOYSA-N -1 0 416.528 3.473 50 0 HGAARM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000000794215 557082534 /nfs/dbraw/zinc/08/25/34/557082534.db2.gz DZOUDOIISGSPAW-UHFFFAOYSA-N -1 0 415.471 3.364 50 0 HGAARM COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)cc1 ZINC000000819795 557091945 /nfs/dbraw/zinc/09/19/45/557091945.db2.gz YSPRYYXOOKHMOA-UHFFFAOYSA-N -1 0 416.389 3.446 50 0 HGAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(Br)cc1 ZINC000001159803 557217307 /nfs/dbraw/zinc/21/73/07/557217307.db2.gz GZJZOSDTPWGADC-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000002817045 557395271 /nfs/dbraw/zinc/39/52/71/557395271.db2.gz BBFGDURMUHHYQA-UHFFFAOYSA-N -1 0 410.455 3.041 50 0 HGAARM CCOc1cc(C(=O)[O-])c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000002863786 557411391 /nfs/dbraw/zinc/41/13/91/557411391.db2.gz WHPHKCGUGNCJIL-UHFFFAOYSA-N -1 0 408.248 3.241 50 0 HGAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCCc3cccs3)c(=O)[n-]2)c1 ZINC000034764475 557461462 /nfs/dbraw/zinc/46/14/62/557461462.db2.gz PKOKYDXFYRGNJC-UHFFFAOYSA-N -1 0 412.515 3.384 50 0 HGAARM CCCOc1cccc(-c2nnc(CCC(=O)NCCc3cccs3)c(=O)[n-]2)c1 ZINC000034765335 557461816 /nfs/dbraw/zinc/46/18/16/557461816.db2.gz TZXCQQMFSZFZFW-UHFFFAOYSA-N -1 0 412.515 3.386 50 0 HGAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCC(=O)[O-])cc1 ZINC000004756085 557594212 /nfs/dbraw/zinc/59/42/12/557594212.db2.gz XQIDHOPVENPWEM-CAPFRKAQSA-N -1 0 410.470 3.227 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)no1 ZINC000004914245 557613394 /nfs/dbraw/zinc/61/33/94/557613394.db2.gz MDXWEMYGHQJMFA-CQSZACIVSA-N -1 0 401.444 3.190 50 0 HGAARM CCCC[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000005107366 557636780 /nfs/dbraw/zinc/63/67/80/557636780.db2.gz XCPBCQBTKWOSNU-NGYXKBBWSA-N -1 0 410.470 3.226 50 0 HGAARM O=C(NCCOc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005790764 557674542 /nfs/dbraw/zinc/67/45/42/557674542.db2.gz JHVKZZVIJREXEF-UHFFFAOYSA-N -1 0 414.458 3.435 50 0 HGAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006702131 557716148 /nfs/dbraw/zinc/71/61/48/557716148.db2.gz WJAUSINODWGYMZ-UHFFFAOYSA-N -1 0 401.875 3.466 50 0 HGAARM CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000007262251 557738258 /nfs/dbraw/zinc/73/82/58/557738258.db2.gz FUXXXYVDKKEBFT-UHFFFAOYSA-N -1 0 404.488 3.448 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1 ZINC000002738795 557752201 /nfs/dbraw/zinc/75/22/01/557752201.db2.gz LVRXGBMYCVRSEX-UHFFFAOYSA-N -1 0 400.435 3.286 50 0 HGAARM COc1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c(OC)cc1C ZINC000008715003 557801125 /nfs/dbraw/zinc/80/11/25/557801125.db2.gz DSOHAFBPHAOIIY-UHFFFAOYSA-N -1 0 401.868 3.484 50 0 HGAARM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000008715484 557801360 /nfs/dbraw/zinc/80/13/60/557801360.db2.gz LHTQNAZKRNZYCC-UHFFFAOYSA-N -1 0 410.451 3.343 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000009356425 557839062 /nfs/dbraw/zinc/83/90/62/557839062.db2.gz PLYAATLEMAVGLT-ZDUSSCGKSA-N -1 0 424.906 3.058 50 0 HGAARM COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc21 ZINC000012894191 558483586 /nfs/dbraw/zinc/48/35/86/558483586.db2.gz ZADRJSDOWGHQES-KRWDZBQOSA-N -1 0 407.426 3.092 50 0 biogenic HGAARM COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000013545809 558537806 /nfs/dbraw/zinc/53/78/06/558537806.db2.gz GSFXSFLLWNKGBG-ZENOOKHLSA-N -1 0 416.446 3.026 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000024764966 558611474 /nfs/dbraw/zinc/61/14/74/558611474.db2.gz UFPURSUGPRXLAY-LBPRGKRZSA-N -1 0 419.528 3.495 50 0 HGAARM CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)ccc1[O-] ZINC000014199717 558635597 /nfs/dbraw/zinc/63/55/97/558635597.db2.gz UNTVDMOHGSCFRN-UHFFFAOYSA-N -1 0 409.471 3.314 50 0 HGAARM CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000025473695 558642071 /nfs/dbraw/zinc/64/20/71/558642071.db2.gz YYTUTJNOEBOSJF-UHFFFAOYSA-N -1 0 404.488 3.489 50 0 HGAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(Br)ccc1Cl ZINC000014792471 558672951 /nfs/dbraw/zinc/67/29/51/558672951.db2.gz QNUPOJMZKJLDHO-UHFFFAOYSA-N -1 0 400.660 3.002 50 0 HGAARM NC(=O)COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015107431 558723333 /nfs/dbraw/zinc/72/33/33/558723333.db2.gz CJGSOGSBHQEHMW-OAHLLOKOSA-N -1 0 422.462 3.452 50 0 HGAARM CC[C@@H]1CCCCN1C(=O)CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1 ZINC000015107352 558723340 /nfs/dbraw/zinc/72/33/40/558723340.db2.gz SRHJARVRFLONLG-OAHLLOKOSA-N -1 0 415.494 3.107 50 0 HGAARM COc1ccc(NC(=O)c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015900846 558761257 /nfs/dbraw/zinc/76/12/57/558761257.db2.gz JZKNDFHGSFMXAD-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)[O-])c(OC)c1 ZINC000016676245 558798803 /nfs/dbraw/zinc/79/88/03/558798803.db2.gz KDLODMNCZOEUEE-DHDCSXOGSA-N -1 0 406.232 3.322 50 0 HGAARM O=c1[n-]c(N2CCN(c3ccccn3)CC2)nnc1Cc1ccc(Cl)cc1Cl ZINC000017058840 558813530 /nfs/dbraw/zinc/81/35/30/558813530.db2.gz GZRNVNFZQOIVPJ-UHFFFAOYSA-N -1 0 417.300 3.196 50 0 HGAARM O=C([O-])CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000017082422 558814561 /nfs/dbraw/zinc/81/45/61/558814561.db2.gz UMSWPBRHSKMVQR-UHFFFAOYSA-N -1 0 402.472 3.022 50 0 HGAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017082482 558814564 /nfs/dbraw/zinc/81/45/64/558814564.db2.gz BDMVNYBTHTVSCW-BNOWGMLFSA-N -1 0 402.516 3.371 50 0 HGAARM C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2cccnc2)C1 ZINC000017090346 558818997 /nfs/dbraw/zinc/81/89/97/558818997.db2.gz AQYQVJCXMYQZSY-CYBMUJFWSA-N -1 0 415.515 3.391 50 0 HGAARM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[n-]1 ZINC000072312533 558837712 /nfs/dbraw/zinc/83/77/12/558837712.db2.gz GPAJIFLDZGKZDF-JSGCOSHPSA-N -1 0 410.474 3.268 50 0 HGAARM O=C([O-])CN1C(=O)S/C(=C\c2cccn2-c2cccc(Br)c2)C1=O ZINC000004676395 558888697 /nfs/dbraw/zinc/88/86/97/558888697.db2.gz DGXBAHHHABGJKD-JYRVWZFOSA-N -1 0 407.245 3.361 50 0 HGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)c(C(=O)[O-])c1 ZINC000033252883 558921061 /nfs/dbraw/zinc/92/10/61/558921061.db2.gz GQBQZRWMMVJSBG-UHFFFAOYSA-N -1 0 423.922 3.126 50 0 HGAARM Cn1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N2CCCCC2)c1Cl ZINC000059120733 558931999 /nfs/dbraw/zinc/93/19/99/558931999.db2.gz KWWCVCJKQXYYCI-UHFFFAOYSA-N -1 0 417.318 3.154 50 0 HGAARM CCOc1ccc(C2=N/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000096634983 558982916 /nfs/dbraw/zinc/98/29/16/558982916.db2.gz NZNSOUOAKNKFNX-GZTJUZNOSA-N -1 0 411.410 3.292 50 0 HGAARM [O-]c1c([C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031151 558985121 /nfs/dbraw/zinc/98/51/21/558985121.db2.gz RUNWZNOXGDDOKZ-IBGZPJMESA-N -1 0 405.527 3.404 50 0 HGAARM Cc1ccccc1N1CCN(c2ncccc2CNc2ncccc2C(=O)[O-])CC1 ZINC000067643040 558990708 /nfs/dbraw/zinc/99/07/08/558990708.db2.gz IRLHQDSZYFOAQJ-UHFFFAOYSA-N -1 0 403.486 3.422 50 0 HGAARM O=C(c1ccc2cc[nH]c2c1)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097112787 558995054 /nfs/dbraw/zinc/99/50/54/558995054.db2.gz FJCSUUFMGADHON-UHFFFAOYSA-N -1 0 409.449 3.369 50 0 HGAARM O=C(NCc1cccc(F)c1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097151859 558997448 /nfs/dbraw/zinc/99/74/48/558997448.db2.gz USDVNFIHOFHLEF-UHFFFAOYSA-N -1 0 417.444 3.097 50 0 HGAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004741084 559044173 /nfs/dbraw/zinc/04/41/73/559044173.db2.gz PPFLQWFRKMLFRF-UHFFFAOYSA-N -1 0 403.287 3.170 50 0 HGAARM C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000725241062 559068158 /nfs/dbraw/zinc/06/81/58/559068158.db2.gz VCKUAFFVCRUAFX-VFNWGFHPSA-N -1 0 422.481 3.379 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000100036873 559129100 /nfs/dbraw/zinc/12/91/00/559129100.db2.gz YNXOMGWSCCGCTE-UXHICEINSA-N -1 0 405.458 3.050 50 0 HGAARM COc1ccc2nc(-c3ccc(OC)c([N-]S(=O)(=O)c4cccs4)c3)cn2n1 ZINC000011693560 559187683 /nfs/dbraw/zinc/18/76/83/559187683.db2.gz FIINBUNFHFYGSW-UHFFFAOYSA-N -1 0 416.484 3.276 50 0 HGAARM COC(=O)c1cc(Cl)ccc1Nc1nc2ccccc2nc1[N-]S(C)(=O)=O ZINC000005030176 559231210 /nfs/dbraw/zinc/23/12/10/559231210.db2.gz URIAGTMOVLYQDV-UHFFFAOYSA-N -1 0 406.851 3.185 50 0 HGAARM Cc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238923861 559271746 /nfs/dbraw/zinc/27/17/46/559271746.db2.gz PRIXVYSKRRCDSF-JOCQHMNTSA-N -1 0 407.850 3.141 50 0 biogenic HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)c(OC)c2)c1 ZINC000005329918 560565538 /nfs/dbraw/zinc/56/55/38/560565538.db2.gz PJLNROSLHOOGDT-UHFFFAOYSA-N -1 0 420.487 3.030 50 0 HGAARM CCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000005451573 560589199 /nfs/dbraw/zinc/58/91/99/560589199.db2.gz YMIRXWPLSUVSQH-UHFFFAOYSA-N -1 0 400.460 3.178 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000005497974 560598147 /nfs/dbraw/zinc/59/81/47/560598147.db2.gz SILXYWQSVVPELK-JKSUJKDBSA-N -1 0 403.895 3.449 50 0 HGAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000005602650 560629273 /nfs/dbraw/zinc/62/92/73/560629273.db2.gz OSMHZCGRMVQDEW-UHFFFAOYSA-N -1 0 405.220 3.487 50 0 HGAARM O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1F ZINC000017916795 560730569 /nfs/dbraw/zinc/73/05/69/560730569.db2.gz CCHBPDYHEKCDOC-JQBYJRRVSA-N -1 0 412.420 3.363 50 0 HGAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101170570 560787933 /nfs/dbraw/zinc/78/79/33/560787933.db2.gz PRWPHYKMELVVDO-SFTDATJTSA-N -1 0 419.485 3.359 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000101274992 560790303 /nfs/dbraw/zinc/79/03/03/560790303.db2.gz HXQROEYSWXQPRW-RTBURBONSA-N -1 0 416.441 3.101 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)cc1 ZINC000101272264 560790947 /nfs/dbraw/zinc/79/09/47/560790947.db2.gz WQBWYPVUBVVEAL-OALUTQOASA-N -1 0 416.441 3.155 50 0 HGAARM COc1ccc(C=CC(O)=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1O ZINC000101378646 560793662 /nfs/dbraw/zinc/79/36/62/560793662.db2.gz ASGRVMAJGNFCRU-XPQZURHDSA-N -1 0 414.801 3.163 50 0 HGAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000101765794 560799493 /nfs/dbraw/zinc/79/94/93/560799493.db2.gz NEHBSKNGQSNHOQ-OAHLLOKOSA-N -1 0 400.504 3.360 50 0 HGAARM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(NC(=O)c3ccc(C(C)C)cc3)c(=O)c12 ZINC000102236244 560808889 /nfs/dbraw/zinc/80/88/89/560808889.db2.gz WESDVOHPJIIVBX-UHFFFAOYSA-N -1 0 403.485 3.261 50 0 HGAARM CCOC(=O)[C@@H]1CCCN([C@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000102896698 560834782 /nfs/dbraw/zinc/83/47/82/560834782.db2.gz IRBPUJOHULTFDG-IUODEOHRSA-N -1 0 404.492 3.016 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102901220 560834951 /nfs/dbraw/zinc/83/49/51/560834951.db2.gz CJYRRDCPEHEEEQ-LJQANCHMSA-N -1 0 420.425 3.136 50 0 HGAARM C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(=O)[n-]2)[C@H]1C ZINC000104236257 560849954 /nfs/dbraw/zinc/84/99/54/560849954.db2.gz XVTXLINOOZNUIM-ZETOZRRWSA-N -1 0 408.474 3.143 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000101166070 560851122 /nfs/dbraw/zinc/85/11/22/560851122.db2.gz WFOWWIKOAMPKDP-LEWJYISDSA-N -1 0 419.485 3.304 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1 ZINC000101260844 560851493 /nfs/dbraw/zinc/85/14/93/560851493.db2.gz SQHSTPRZBMRPDB-IRXDYDNUSA-N -1 0 400.822 3.163 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000710127 568465029 /nfs/dbraw/zinc/46/50/29/568465029.db2.gz ATLWRDUNQUAHDT-SFHVURJKSA-N -1 0 412.442 3.255 50 0 HGAARM CC(C)CCN1c2ccc([N-]S(=O)(=O)c3cnn(C)c3)cc2OCC(C)(C)C1=O ZINC000096103560 568691852 /nfs/dbraw/zinc/69/18/52/568691852.db2.gz FWGBWFRVYCDSAU-UHFFFAOYSA-N -1 0 420.535 3.019 50 0 HGAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)c1 ZINC000012420778 568720388 /nfs/dbraw/zinc/72/03/88/568720388.db2.gz RHHUTSZIFGBJNR-FQEVSTJZSA-N -1 0 404.426 3.181 50 0 HGAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)c1 ZINC000012420777 568720528 /nfs/dbraw/zinc/72/05/28/568720528.db2.gz RHHUTSZIFGBJNR-HXUWFJFHSA-N -1 0 404.426 3.181 50 0 HGAARM O=C(Nc1ccc(F)c(F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361230 568739114 /nfs/dbraw/zinc/73/91/14/568739114.db2.gz VGDRDDIJJSCMRW-UHFFFAOYSA-N -1 0 412.805 3.394 50 0 HGAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000210948981 568747112 /nfs/dbraw/zinc/74/71/12/568747112.db2.gz MOPGTUAGRNUGDE-SILNSSARSA-N -1 0 410.470 3.227 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000025076491 568748613 /nfs/dbraw/zinc/74/86/13/568748613.db2.gz CSSJVRRJMBZJLL-QISBLDNZSA-N -1 0 418.494 3.015 50 0 HGAARM Cc1cc(=O)n2nc(CN(C(=O)c3ccc(F)cc3)c3ccc(Cl)cc3)[n-]c2n1 ZINC000021796147 568753677 /nfs/dbraw/zinc/75/36/77/568753677.db2.gz BOTOAMWHVMRNEL-UHFFFAOYSA-N -1 0 411.824 3.366 50 0 HGAARM O=C(COc1ccc(I)cc1)c1c(=O)oc2ccccc2c1[O-] ZINC000000957744 568757904 /nfs/dbraw/zinc/75/79/04/568757904.db2.gz HUYCBMNHQNRBSP-UHFFFAOYSA-N -1 0 422.174 3.365 50 0 HGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3cccc(O)c3)c1)C2=O ZINC000000969157 568758743 /nfs/dbraw/zinc/75/87/43/568758743.db2.gz IRNUZIFSZOPEIW-UHFFFAOYSA-N -1 0 402.362 3.143 50 0 HGAARM CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)CC1 ZINC000096594066 568763467 /nfs/dbraw/zinc/76/34/67/568763467.db2.gz SUOHUOYCPCTQSX-UHFFFAOYSA-N -1 0 402.472 3.058 50 0 HGAARM O=S(=O)([N-]c1nc2ccc(Br)cn2n1)c1ccc2c(c1)CCCC2 ZINC000097164865 568769381 /nfs/dbraw/zinc/76/93/81/568769381.db2.gz BJJAMXFYBIQORD-UHFFFAOYSA-N -1 0 407.293 3.171 50 0 HGAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578022 568770049 /nfs/dbraw/zinc/77/00/49/568770049.db2.gz KKVMNPBABXWCIA-MRXNPFEDSA-N -1 0 405.955 3.439 50 0 HGAARM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000031666464 568837510 /nfs/dbraw/zinc/83/75/10/568837510.db2.gz KYLUSZWJWLPECX-UHFFFAOYSA-N -1 0 411.277 3.143 50 0 HGAARM O=C([O-])COc1cc(Br)c(Br)c(Br)c1O ZINC000003097117 568855196 /nfs/dbraw/zinc/85/51/96/568855196.db2.gz CQOYCHLSMIAGBQ-UHFFFAOYSA-N -1 0 404.836 3.143 50 0 HGAARM CCOC(=O)[C@@]([N-]c1ccccc1Cl)(NC(=O)c1cccnc1)C(F)(F)F ZINC000003103508 568855505 /nfs/dbraw/zinc/85/55/05/568855505.db2.gz UHNLXNTZOFBREU-MRXNPFEDSA-N -1 0 401.772 3.399 50 0 HGAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000012557275 568856390 /nfs/dbraw/zinc/85/63/90/568856390.db2.gz ZWNNZRLQPXCUEV-NSHDSACASA-N -1 0 400.909 3.111 50 0 HGAARM CC(C)(C)C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000012561066 568858552 /nfs/dbraw/zinc/85/85/52/568858552.db2.gz OBMNAZBHZCDZNA-UHFFFAOYSA-N -1 0 410.442 3.111 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)nc(C)n1 ZINC000012604816 568870831 /nfs/dbraw/zinc/87/08/31/568870831.db2.gz WMOCWYLYUUWDMU-UHFFFAOYSA-N -1 0 418.425 3.425 50 0 HGAARM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000003287858 568872672 /nfs/dbraw/zinc/87/26/72/568872672.db2.gz GORTZMCBZIIFOQ-UHFFFAOYSA-N -1 0 415.500 3.095 50 0 HGAARM Cc1ccc(N2C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C(=O)[N-]C2=S)cc1 ZINC000001245920 568908402 /nfs/dbraw/zinc/90/84/02/568908402.db2.gz LYPRZQFFNFKLBW-ZSFFSCSXSA-N -1 0 421.526 3.165 50 0 HGAARM COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)[O-])cc1 ZINC000004126560 568915332 /nfs/dbraw/zinc/91/53/32/568915332.db2.gz VREQNGGBBSWBDJ-UHFFFAOYSA-N -1 0 417.516 3.152 50 0 HGAARM COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000218232399 568928381 /nfs/dbraw/zinc/92/83/81/568928381.db2.gz KSTCJQZOCQNNLM-AWEZNQCLSA-N -1 0 405.790 3.296 50 0 HGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000015671383 568962127 /nfs/dbraw/zinc/96/21/27/568962127.db2.gz WVDIFOCUOJVFPJ-UHFFFAOYSA-N -1 0 413.286 3.443 50 0 HGAARM COC(=O)c1c(SCC(=O)Nc2ccc(OC)cc2)[n-]c2ccc(C)cc2c1=O ZINC000015731516 568982153 /nfs/dbraw/zinc/98/21/53/568982153.db2.gz NANLFXDGQOLQKS-UHFFFAOYSA-N -1 0 412.467 3.363 50 0 HGAARM COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000015781924 569002901 /nfs/dbraw/zinc/00/29/01/569002901.db2.gz OYFIBXVIVHSCCD-MRXNPFEDSA-N -1 0 400.431 3.318 50 0 HGAARM COc1ccc(NC(=O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006178375 569017581 /nfs/dbraw/zinc/01/75/81/569017581.db2.gz JCJAEKZXSXWCNW-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000006779105 569042045 /nfs/dbraw/zinc/04/20/45/569042045.db2.gz MAGJMHGCPQCOOK-UHFFFAOYSA-N -1 0 408.501 3.329 50 0 HGAARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000012979689 569042686 /nfs/dbraw/zinc/04/26/86/569042686.db2.gz RTSVUUBOTCQJOX-UHFFFAOYSA-N -1 0 402.885 3.499 50 0 HGAARM CN(C[C@H]1COCCO1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000035510976 569043032 /nfs/dbraw/zinc/04/30/32/569043032.db2.gz OBDFFXCWNHYNFI-INIZCTEOSA-N -1 0 404.850 3.142 50 0 HGAARM CC(=O)N1c2ccccc2N=C(c2c([O-])[nH]c(=O)sc2=O)C[C@@H]1c1ccc(C)o1 ZINC000035622688 569046613 /nfs/dbraw/zinc/04/66/13/569046613.db2.gz FMEHZMQZCDMMHU-OAHLLOKOSA-N -1 0 411.439 3.022 50 0 HGAARM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000001932569 569059773 /nfs/dbraw/zinc/05/97/73/569059773.db2.gz IKKFXXXJYRHIAB-KPKJPENVSA-N -1 0 413.455 3.444 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000001210754 569060299 /nfs/dbraw/zinc/06/02/99/569060299.db2.gz SDZRJVCXOGRYLC-LJQANCHMSA-N -1 0 417.421 3.439 50 0 biogenic HGAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(N=CC=[NH+][N-]c2ccccc2)cc1 ZINC000252598201 569060694 /nfs/dbraw/zinc/06/06/94/569060694.db2.gz CYABJDJECFHHNB-UHFFFAOYSA-N -1 0 410.459 3.086 50 0 HGAARM CC(=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)C(=O)[O-] ZINC000252612428 569060829 /nfs/dbraw/zinc/06/08/29/569060829.db2.gz ISVGQSDBSXYWJC-UHFFFAOYSA-N -1 0 412.471 3.171 50 0 HGAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)NC1CC1 ZINC000006537776 569064462 /nfs/dbraw/zinc/06/44/62/569064462.db2.gz FNSMNRJEYARUAD-UHFFFAOYSA-N -1 0 413.524 3.280 50 0 HGAARM O=C([O-])c1ccc(C=NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)cc1 ZINC000013108829 569070013 /nfs/dbraw/zinc/07/00/13/569070013.db2.gz XEPMCQRIIUFFOA-UHFFFAOYSA-N -1 0 412.449 3.128 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1 ZINC000006623390 569075045 /nfs/dbraw/zinc/07/50/45/569075045.db2.gz JGTONVKCKZYCEU-UHFFFAOYSA-N -1 0 415.515 3.445 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 ZINC000006636460 569076633 /nfs/dbraw/zinc/07/66/33/569076633.db2.gz YNEXZIKRUMLSIL-RHSMWYFYSA-N -1 0 403.475 3.437 50 0 HGAARM COc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)NC2=S)cc1 ZINC000006645223 569079226 /nfs/dbraw/zinc/07/92/26/569079226.db2.gz QSCLFMKCHOUROF-OQLLNIDSSA-N -1 0 418.858 3.074 50 0 HGAARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C2/c3ccccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000001810474 569147657 /nfs/dbraw/zinc/14/76/57/569147657.db2.gz YWCQOARNKAIEBI-ZFHSLQLHSA-N -1 0 424.503 3.278 50 0 HGAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCCCC2)c2ccc(Br)cc21 ZINC000036365396 569152157 /nfs/dbraw/zinc/15/21/57/569152157.db2.gz MORVDEFWDBCYGK-QGZVFWFLSA-N -1 0 409.280 3.490 50 0 HGAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000065183997 569191085 /nfs/dbraw/zinc/19/10/85/569191085.db2.gz LNKNBCBWVNAUHL-UHFFFAOYSA-N -1 0 408.505 3.064 50 0 HGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2)s1 ZINC000065183715 569191134 /nfs/dbraw/zinc/19/11/34/569191134.db2.gz HMEKWRWTGVQSLI-UHFFFAOYSA-N -1 0 401.311 3.225 50 0 HGAARM O=C(NCCc1ccc(F)c(Br)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000065493018 569232397 /nfs/dbraw/zinc/23/23/97/569232397.db2.gz RALHWGNCNCZJTA-UHFFFAOYSA-N -1 0 422.279 3.086 50 0 HGAARM COc1ccccc1NC(=O)CSc1ccc(NC(=O)/C=C(/C)C(=O)[O-])cc1 ZINC000013579234 569256489 /nfs/dbraw/zinc/25/64/89/569256489.db2.gz QNROPSOWIDFDNO-QBFSEMIESA-N -1 0 400.456 3.395 50 0 HGAARM COc1ccc(-c2noc(CSc3nc(=O)c4sccc4[n-]3)n2)cc1OC ZINC000016842920 569264751 /nfs/dbraw/zinc/26/47/51/569264751.db2.gz FHHFVNTWPTXXNA-UHFFFAOYSA-N -1 0 402.457 3.344 50 0 HGAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCc1ccc(F)cc1 ZINC000016848330 569265408 /nfs/dbraw/zinc/26/54/08/569265408.db2.gz RUAJSCVATPWFCH-UHFFFAOYSA-N -1 0 419.503 3.332 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002092431 569280423 /nfs/dbraw/zinc/28/04/23/569280423.db2.gz DYMMQMVMCMFSOO-BEFAXECRSA-N -1 0 423.465 3.243 50 0 biogenic HGAARM CCC[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000002094544 569280884 /nfs/dbraw/zinc/28/08/84/569280884.db2.gz UEOYYHPYQFKHHO-FQEVSTJZSA-N -1 0 423.465 3.441 50 0 biogenic HGAARM Cc1c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000002097942 569281064 /nfs/dbraw/zinc/28/10/64/569281064.db2.gz HBHXXYDBAVCIIQ-XOBRGWDASA-N -1 0 421.449 3.300 50 0 biogenic HGAARM Cc1cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002115247 569284614 /nfs/dbraw/zinc/28/46/14/569284614.db2.gz URQIILWNBLGRRJ-PBHICJAKSA-N -1 0 415.486 3.363 50 0 biogenic HGAARM O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000002195407 569294568 /nfs/dbraw/zinc/29/45/68/569294568.db2.gz YVAGVPJEVYRFLG-KRWDZBQOSA-N -1 0 411.767 3.285 50 0 HGAARM O=C1NCc2ccc([N-]S(=O)(=O)c3cccc4cncc(Br)c43)cc21 ZINC000253424900 569367990 /nfs/dbraw/zinc/36/79/90/569367990.db2.gz MFEAMIJLFVXZIS-UHFFFAOYSA-N -1 0 418.272 3.042 50 0 HGAARM CCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002419275 569397563 /nfs/dbraw/zinc/39/75/63/569397563.db2.gz UGQNKKSFSAAQPD-KRWDZBQOSA-N -1 0 401.459 3.119 50 0 HGAARM CCCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002419276 569397662 /nfs/dbraw/zinc/39/76/62/569397662.db2.gz UGQNKKSFSAAQPD-QGZVFWFLSA-N -1 0 401.459 3.119 50 0 HGAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)C1 ZINC000012896610 569404787 /nfs/dbraw/zinc/40/47/87/569404787.db2.gz AERPIHMEUNXTLY-INIZCTEOSA-N -1 0 407.422 3.162 50 0 biogenic HGAARM COC(=O)c1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000013348782 569411079 /nfs/dbraw/zinc/41/10/79/569411079.db2.gz CWPNGSHWSHROFT-UHFFFAOYSA-N -1 0 420.472 3.098 50 0 HGAARM Cc1ccc(-n2nnc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c2C(C)C)cc1 ZINC000040145199 571195605 /nfs/dbraw/zinc/19/56/05/571195605.db2.gz CXVVPDFNTZKQGC-UHFFFAOYSA-N -1 0 422.514 3.269 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)s2)on1 ZINC000009688768 571280215 /nfs/dbraw/zinc/28/02/15/571280215.db2.gz BWSLHAUDZLIONU-UHFFFAOYSA-N -1 0 408.457 3.389 50 0 HGAARM COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(=O)[O-])cc3)n2)cc1OC ZINC000033000115 571315702 /nfs/dbraw/zinc/31/57/02/571315702.db2.gz PLKGPXQTMBGSDG-UHFFFAOYSA-N -1 0 411.414 3.413 50 0 HGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000004756672 132287678 /nfs/dbraw/zinc/28/76/78/132287678.db2.gz FLDMLDFSWHRMIT-UHFFFAOYSA-N -1 0 421.522 3.450 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1N1CCCCC1 ZINC000004865406 132291104 /nfs/dbraw/zinc/29/11/04/132291104.db2.gz URRYBQFQZZREKM-UHFFFAOYSA-N -1 0 403.504 3.445 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1C(=O)[O-] ZINC000005694489 132307532 /nfs/dbraw/zinc/30/75/32/132307532.db2.gz OHCLTJPHXIFMGW-UHFFFAOYSA-N -1 0 421.453 3.251 50 0 HGAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000005750775 132307867 /nfs/dbraw/zinc/30/78/67/132307867.db2.gz CFAXCZDWLWVYAF-HXUWFJFHSA-N -1 0 417.387 3.276 50 0 HGAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)cc1 ZINC000006779688 132315801 /nfs/dbraw/zinc/31/58/01/132315801.db2.gz HQSXGQBFRMAXCS-UHFFFAOYSA-N -1 0 408.863 3.089 50 0 HGAARM CCC(Nc1ccc(OC)cc1OC)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000009009268 132334931 /nfs/dbraw/zinc/33/49/31/132334931.db2.gz RUUYPMWDOLWBJL-KNTRCKAVSA-N -1 0 409.442 3.371 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c1 ZINC000009406961 132339293 /nfs/dbraw/zinc/33/92/93/132339293.db2.gz DGRKZOJOQXZDBH-GFCCVEGCSA-N -1 0 422.528 3.352 50 0 HGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C)n1 ZINC000032932351 523507126 /nfs/dbraw/zinc/50/71/26/523507126.db2.gz NSGTVMPDJMWMBZ-UHFFFAOYSA-N -1 0 423.292 3.352 50 0 HGAARM O=C([O-])C[C@@H](CNC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1 ZINC000015934935 527624969 /nfs/dbraw/zinc/62/49/69/527624969.db2.gz AIGSBBRMQLXAIM-HNNXBMFYSA-N -1 0 415.829 3.200 50 0 HGAARM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000870316 557107133 /nfs/dbraw/zinc/10/71/33/557107133.db2.gz IJCINSUMZHEUDO-UHFFFAOYSA-N -1 0 403.485 3.134 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)no1 ZINC000000904154 557114979 /nfs/dbraw/zinc/11/49/79/557114979.db2.gz SZUWGHCWHZDEDS-UHFFFAOYSA-N -1 0 421.862 3.455 50 0 HGAARM COc1ccccc1C(=O)N/C(=C/c1ccco1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000915779 557117295 /nfs/dbraw/zinc/11/72/95/557117295.db2.gz ZCQWQYFTTQXEDY-QGOAFFKASA-N -1 0 406.394 3.396 50 0 HGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000001052735 557160654 /nfs/dbraw/zinc/16/06/54/557160654.db2.gz RDJYYKINFFZEAE-UHFFFAOYSA-N -1 0 410.451 3.407 50 0 HGAARM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000001115253 557186640 /nfs/dbraw/zinc/18/66/40/557186640.db2.gz WMHOYQIJIVAOSP-UHFFFAOYSA-N -1 0 415.471 3.364 50 0 HGAARM COC(=O)c1c(C)c(C)sc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000001793016 557288265 /nfs/dbraw/zinc/28/82/65/557288265.db2.gz ZGRNSGLNFMNIKN-ZDUSSCGKSA-N -1 0 419.480 3.274 50 0 HGAARM CCOC(=O)Cc1csc([N-]C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)n1 ZINC000002050606 557300887 /nfs/dbraw/zinc/30/08/87/557300887.db2.gz TXCJHFZTOXGIAA-UHFFFAOYSA-N -1 0 423.335 3.228 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000002503357 557353143 /nfs/dbraw/zinc/35/31/43/557353143.db2.gz MSNQQXJNHWUXGF-CCQQUTMYSA-N -1 0 413.404 3.461 50 0 HGAARM CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000002863799 557411322 /nfs/dbraw/zinc/41/13/22/557411322.db2.gz XSOMSSRIBHUSGM-UHFFFAOYSA-N -1 0 422.231 3.342 50 0 HGAARM O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O)NCc1ccccn1 ZINC000034764119 557461441 /nfs/dbraw/zinc/46/14/41/557461441.db2.gz BJHILIZIJXIZLM-UHFFFAOYSA-N -1 0 419.485 3.067 50 0 HGAARM CCOC(=O)c1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651247 557575707 /nfs/dbraw/zinc/57/57/07/557575707.db2.gz LZRQANCBNIXHPF-ROUUACIJSA-N -1 0 417.458 3.426 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000004742357 557591150 /nfs/dbraw/zinc/59/11/50/557591150.db2.gz XONYKGIVWCKATK-INIZCTEOSA-N -1 0 408.545 3.216 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1C ZINC000004914360 557613419 /nfs/dbraw/zinc/61/34/19/557613419.db2.gz SMDITFSWGAOAJE-UHFFFAOYSA-N -1 0 411.483 3.129 50 0 HGAARM COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005101556 557635815 /nfs/dbraw/zinc/63/58/15/557635815.db2.gz DMZJCOCVBFFQRU-ZSFFSCSXSA-N -1 0 410.470 3.082 50 0 HGAARM COc1ccc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)cc1OC ZINC000005670933 557667627 /nfs/dbraw/zinc/66/76/27/557667627.db2.gz QRUKDLALZQSZGJ-KRWDZBQOSA-N -1 0 403.442 3.335 50 0 HGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000006244605 557695943 /nfs/dbraw/zinc/69/59/43/557695943.db2.gz ZWJFCZXKKIAQFS-UHFFFAOYSA-N -1 0 411.483 3.211 50 0 HGAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccc(COc2ccc(F)cc2)o1 ZINC000002790274 557759743 /nfs/dbraw/zinc/75/97/43/557759743.db2.gz QTYCHTYPWPIQTH-UHFFFAOYSA-N -1 0 411.414 3.380 50 0 HGAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)n1 ZINC000002779095 557761455 /nfs/dbraw/zinc/76/14/55/557761455.db2.gz YSEHEZNHHKJRQE-VIFPVBQESA-N -1 0 405.911 3.145 50 0 HGAARM O=S(=O)([N-]c1nc(SCc2ccc(Cl)cc2)n[nH]1)c1cccc2nonc21 ZINC000008636853 557797839 /nfs/dbraw/zinc/79/78/39/557797839.db2.gz FCHGLJQVRLPOLA-UHFFFAOYSA-N -1 0 422.879 3.087 50 0 HGAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000020614668 558392051 /nfs/dbraw/zinc/39/20/51/558392051.db2.gz VHFMCHOKXZSLEB-UHFFFAOYSA-N -1 0 413.278 3.318 50 0 HGAARM COC(=O)c1c([N-][C@]2(C(F)(F)F)N=C3SCCN3C2=O)sc2c1CCCC2 ZINC000012417740 558402634 /nfs/dbraw/zinc/40/26/34/558402634.db2.gz ZRFZGVOZDGBFLP-HNNXBMFYSA-N -1 0 419.450 3.029 50 0 HGAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000022621100 558503233 /nfs/dbraw/zinc/50/32/33/558503233.db2.gz YNINGDBABFLBLJ-UHFFFAOYSA-N -1 0 422.466 3.218 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000013260071 558527879 /nfs/dbraw/zinc/52/78/79/558527879.db2.gz CSVOIBJVOKKLLW-FQEVSTJZSA-N -1 0 405.454 3.111 50 0 HGAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000013463364 558533077 /nfs/dbraw/zinc/53/30/77/558533077.db2.gz IJCYLQRSDWSSJH-UHFFFAOYSA-N -1 0 413.835 3.163 50 0 HGAARM O=C([O-])[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 ZINC000013467058 558533516 /nfs/dbraw/zinc/53/35/16/558533516.db2.gz MDYSKOKEVHRAAM-CQSZACIVSA-N -1 0 404.348 3.483 50 0 HGAARM Cc1cnc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)s1 ZINC000013693811 558574837 /nfs/dbraw/zinc/57/48/37/558574837.db2.gz RUNOFGSWTCSMMA-UHFFFAOYSA-N -1 0 408.530 3.198 50 0 HGAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000024370311 558596322 /nfs/dbraw/zinc/59/63/22/558596322.db2.gz CWMAKMQSBHUFPT-UHFFFAOYSA-N -1 0 412.439 3.340 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000013856258 558598227 /nfs/dbraw/zinc/59/82/27/558598227.db2.gz MHWXGBRUYPBSTN-UHFFFAOYSA-N -1 0 424.906 3.394 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000004483870 558603084 /nfs/dbraw/zinc/60/30/84/558603084.db2.gz LNSJSJPJXKGNAU-WOJBJXKFSA-N -1 0 405.458 3.050 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1C ZINC000004483861 558603172 /nfs/dbraw/zinc/60/31/72/558603172.db2.gz JUSHDLQADJKNTH-RTWAWAEBSA-N -1 0 419.485 3.359 50 0 HGAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)c1ccc(OC(F)F)cc1 ZINC000004486693 558603747 /nfs/dbraw/zinc/60/37/47/558603747.db2.gz HGRXFEQWWNGYNX-LLVKDONJSA-N -1 0 413.398 3.088 50 0 HGAARM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)ccc2N1 ZINC000028810625 558705053 /nfs/dbraw/zinc/70/50/53/558705053.db2.gz VNBCBSGBNTWKEX-UHFFFAOYSA-N -1 0 422.388 3.187 50 0 HGAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000028940244 558707731 /nfs/dbraw/zinc/70/77/31/558707731.db2.gz ZLHWSNTUGRUZCD-UHFFFAOYSA-N -1 0 403.504 3.445 50 0 HGAARM CCc1c([O-])nc(SCC(=O)Nc2cccc(OC)c2)n(-c2ccccc2)c1=O ZINC000015837065 558756229 /nfs/dbraw/zinc/75/62/29/558756229.db2.gz YRDVSHFCNSKOET-UHFFFAOYSA-N -1 0 411.483 3.240 50 0 HGAARM COc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC(C)C)cc2)cc(OC)c1OC ZINC000004580849 558766900 /nfs/dbraw/zinc/76/69/00/558766900.db2.gz JUSKVVUHAGXIJD-QGZVFWFLSA-N -1 0 417.458 3.445 50 0 HGAARM CCC(=O)N1NC(=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C[C@@H]1c1cccs1 ZINC000017027788 558812244 /nfs/dbraw/zinc/81/22/44/558812244.db2.gz MNSDUYMGXCQADP-SULWINFOSA-N -1 0 424.482 3.309 50 0 HGAARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=C1C[C@@H](c2c[nH]c3ccccc32)NN1 ZINC000017029373 558812459 /nfs/dbraw/zinc/81/24/59/558812459.db2.gz KTEFISUVHHAOMX-NSURYPBFSA-N -1 0 401.426 3.080 50 0 HGAARM CCCCn1c(=O)c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c([O-])[nH]c1=S ZINC000017056336 558813414 /nfs/dbraw/zinc/81/34/14/558813414.db2.gz BYYAVTYYLLWXRL-RBUKOAKNSA-N -1 0 421.522 3.455 50 0 HGAARM Cc1sc2[nH]c(=S)n([N-]C(=O)c3ccc(Br)o3)c(=O)c2c1C ZINC000017081813 558813651 /nfs/dbraw/zinc/81/36/51/558813651.db2.gz OVBHXFRESBDDIS-UHFFFAOYSA-N -1 0 400.279 3.477 50 0 HGAARM CN(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccco1 ZINC000033024258 558841419 /nfs/dbraw/zinc/84/14/19/558841419.db2.gz PMKITWPSEALRFT-INIZCTEOSA-N -1 0 419.528 3.175 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000097940946 558945896 /nfs/dbraw/zinc/94/58/96/558945896.db2.gz XZHOPAGGHFEAPB-UHFFFAOYSA-N -1 0 408.867 3.134 50 0 HGAARM Cc1ccc(C(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)cc1F ZINC000097941984 558947667 /nfs/dbraw/zinc/94/76/67/558947667.db2.gz KIUAUBRETXGUAC-UHFFFAOYSA-N -1 0 402.429 3.336 50 0 HGAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000023125656 559013730 /nfs/dbraw/zinc/01/37/30/559013730.db2.gz XQSXTUQTFFYQMU-IAGOWNOFSA-N -1 0 400.822 3.163 50 0 HGAARM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2ccc(Br)cc2C(=O)O1 ZINC000011666704 559149884 /nfs/dbraw/zinc/14/98/84/559149884.db2.gz KCXOQCFUICLLNQ-GOSISDBHSA-N -1 0 404.216 3.258 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000014222123 559157893 /nfs/dbraw/zinc/15/78/93/559157893.db2.gz TYROPJNRSMYLQY-UHFFFAOYSA-N -1 0 404.879 3.344 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc(OC)c1OC ZINC000023390030 559173753 /nfs/dbraw/zinc/17/37/53/559173753.db2.gz MHWAFMNCVGNJPP-UHFFFAOYSA-N -1 0 407.366 3.412 50 0 HGAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCSC[C@H]32)C(=O)N1c1ccccc1 ZINC000033429121 559190837 /nfs/dbraw/zinc/19/08/37/559190837.db2.gz QAAVQFGXSNZOPE-HRAATJIYSA-N -1 0 411.458 3.413 50 0 HGAARM O=C1[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCSC[C@H]32)C(=O)N1c1ccccc1 ZINC000033429123 559190844 /nfs/dbraw/zinc/19/08/44/559190844.db2.gz QAAVQFGXSNZOPE-KKSFZXQISA-N -1 0 411.458 3.413 50 0 HGAARM CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000004936387 559211086 /nfs/dbraw/zinc/21/10/86/559211086.db2.gz VQTVLSZSNGDCGW-UHFFFAOYSA-N -1 0 410.536 3.031 50 0 HGAARM O=C([O-])c1ccc(NC(=O)CSc2nnnn2-c2cccc3ccccc32)cc1 ZINC000005015419 559228298 /nfs/dbraw/zinc/22/82/98/559228298.db2.gz OECSXHPKSZVVJL-UHFFFAOYSA-N -1 0 405.439 3.245 50 0 HGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O ZINC000245241026 559272990 /nfs/dbraw/zinc/27/29/90/559272990.db2.gz WLYWCBGRFRSDSW-BRWVUGGUSA-N -1 0 415.486 3.493 50 0 biogenic HGAARM O=C([O-])c1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2)cc1 ZINC000004845344 560736779 /nfs/dbraw/zinc/73/67/79/560736779.db2.gz TVKLWWYJLWDFGX-UHFFFAOYSA-N -1 0 409.261 3.039 50 0 HGAARM O=C([O-])CN1C(=O)c2ccccc2/C(=C\c2ccc(F)c(Br)c2)C1=O ZINC000097997539 560758823 /nfs/dbraw/zinc/75/88/23/560758823.db2.gz NXXDJWLPFHMSJR-NTUHNPAUSA-N -1 0 404.191 3.196 50 0 HGAARM COc1ccc(NC(=O)c2cc(C)no2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000024400571 560779621 /nfs/dbraw/zinc/77/96/21/560779621.db2.gz XDJKPKZWMFJEHP-UHFFFAOYSA-N -1 0 405.407 3.184 50 0 HGAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1ccc(OC)cc1OC ZINC000018159314 560780185 /nfs/dbraw/zinc/78/01/85/560780185.db2.gz ZVSXMQLPYRZTLB-UHFFFAOYSA-N -1 0 404.444 3.081 50 0 HGAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)c([O-])[nH]c1=S ZINC000101456283 560795401 /nfs/dbraw/zinc/79/54/01/560795401.db2.gz YFDAALMWDKBKKS-INIZCTEOSA-N -1 0 416.503 3.118 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCc3cccc(C)c3)c([O-])c3cccnc32)c1 ZINC000101722442 560798828 /nfs/dbraw/zinc/79/88/28/560798828.db2.gz NWJZWPULTPIXTD-UHFFFAOYSA-N -1 0 415.449 3.338 50 0 HGAARM Cc1cccc(CNC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1 ZINC000101722550 560798905 /nfs/dbraw/zinc/79/89/05/560798905.db2.gz IBKSTGXKDBCRRJ-UHFFFAOYSA-N -1 0 403.413 3.469 50 0 HGAARM COc1cccc(CNC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101722983 560799169 /nfs/dbraw/zinc/79/91/69/560799169.db2.gz DQHRWRCPOFKMEP-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)ccc1Br ZINC000013345777 560804756 /nfs/dbraw/zinc/80/47/56/560804756.db2.gz HCQBEHRIXYJZDP-UHFFFAOYSA-N -1 0 410.167 3.365 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2OC)c1 ZINC000102810737 560829290 /nfs/dbraw/zinc/82/92/90/560829290.db2.gz IGMXFSZMLRRHJX-SFHVURJKSA-N -1 0 420.425 3.136 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000102819497 560829490 /nfs/dbraw/zinc/82/94/90/560829490.db2.gz OTSFNRCOYSYLBI-CVEARBPZSA-N -1 0 420.347 3.220 50 0 HGAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N(C)C)oc1C ZINC000097940948 560849939 /nfs/dbraw/zinc/84/99/39/560849939.db2.gz RFKHWRPKRRJNNQ-UHFFFAOYSA-N -1 0 402.476 3.043 50 0 HGAARM CCOC(=O)CSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000101150868 560851116 /nfs/dbraw/zinc/85/11/16/560851116.db2.gz GVNCPTZNKPFICS-UHFFFAOYSA-N -1 0 410.499 3.108 50 0 biogenic HGAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2N2CCN(c3ccccn3)CC2)cc1 ZINC000049402325 568447988 /nfs/dbraw/zinc/44/79/88/568447988.db2.gz XBYBKNXLGDNWFE-UHFFFAOYSA-N -1 0 423.542 3.166 50 0 HGAARM CC(C)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C/C(=O)[O-])CC2)cc1 ZINC000000628499 568456099 /nfs/dbraw/zinc/45/60/99/568456099.db2.gz QXSXRVWPDIXKLT-VAWYXSNFSA-N -1 0 421.497 3.352 50 0 HGAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000753788 568471605 /nfs/dbraw/zinc/47/16/05/568471605.db2.gz KNBNGZDXGUJQCT-UHFFFAOYSA-N -1 0 418.862 3.192 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(N[C@@H]3OC(=O)c4ccccc43)cc2)s1 ZINC000000796164 568482156 /nfs/dbraw/zinc/48/21/56/568482156.db2.gz XUCVWNRMJBVGME-MRXNPFEDSA-N -1 0 416.484 3.182 50 0 HGAARM CCOC(=O)c1cnc2ccc(-c3cncc([N-]S(=O)(=O)c4ccccc4)c3)cn21 ZINC000071319188 568577742 /nfs/dbraw/zinc/57/77/42/568577742.db2.gz SEKOTFCHZNXZMM-UHFFFAOYSA-N -1 0 422.466 3.374 50 0 in-vitro HGAARM Cc1nn(C)c(C)c1C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000095389874 568603962 /nfs/dbraw/zinc/60/39/62/568603962.db2.gz ANNQXLYQUUACIA-UHFFFAOYSA-N -1 0 407.352 3.192 50 0 HGAARM Cc1nn(-c2ccc(C(=O)N[C@H]3CCCc4c3cnn4C)cc2)c(C)c1CCC(=O)[O-] ZINC000095424311 568607594 /nfs/dbraw/zinc/60/75/94/568607594.db2.gz ZQYMMJLCEDJRHA-FQEVSTJZSA-N -1 0 421.501 3.047 50 0 HGAARM O=S(=O)([N-]c1ccc(-n2ccnc2)nc1)c1cccc(Br)c1Cl ZINC000225399012 568634090 /nfs/dbraw/zinc/63/40/90/568634090.db2.gz KLSXVLXEGRERFK-UHFFFAOYSA-N -1 0 413.684 3.484 50 0 HGAARM CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)sc1C(C)=O ZINC000225529489 568647807 /nfs/dbraw/zinc/64/78/07/568647807.db2.gz MJNZPRZJSFHYIP-UHFFFAOYSA-N -1 0 408.501 3.202 50 0 HGAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)C2)c1 ZINC000095982559 568675544 /nfs/dbraw/zinc/67/55/44/568675544.db2.gz OKVPLRUTRSEKMN-GOSISDBHSA-N -1 0 417.893 3.147 50 0 HGAARM COCC(=O)N1CCCc2ccc(NC(=O)C[C@@H](CC(=O)[O-])c3cccs3)cc21 ZINC000096024586 568686022 /nfs/dbraw/zinc/68/60/22/568686022.db2.gz UKRDXZDXBJIUFF-HNNXBMFYSA-N -1 0 416.499 3.261 50 0 HGAARM CC[C@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCC[C@H]32)C(=O)NC1=S ZINC000229919892 568715901 /nfs/dbraw/zinc/71/59/01/568715901.db2.gz STQPTDBQPUDKPZ-SLSDUTBNSA-N -1 0 405.951 3.283 50 0 HGAARM Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021660831 568735730 /nfs/dbraw/zinc/73/57/30/568735730.db2.gz MCUIYYURILFALA-HNNXBMFYSA-N -1 0 401.426 3.240 50 0 HGAARM O=C(Nc1ccc(Br)cc1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361060 568738931 /nfs/dbraw/zinc/73/89/31/568738931.db2.gz AGYSXQDERPVYTF-UHFFFAOYSA-N -1 0 421.276 3.225 50 0 HGAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000096361114 568739037 /nfs/dbraw/zinc/73/90/37/568739037.db2.gz UNYGMSYLSBJLMJ-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM O=C(CC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000941209 568753085 /nfs/dbraw/zinc/75/30/85/568753085.db2.gz VRAHRTWBFYRSCI-UHFFFAOYSA-N -1 0 401.469 3.155 50 0 HGAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000021796109 568753666 /nfs/dbraw/zinc/75/36/66/568753666.db2.gz FBBLLMCMZOMBMF-UHFFFAOYSA-N -1 0 423.860 3.235 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nc2sc3ccccc3n2c1=O ZINC000021883947 568758287 /nfs/dbraw/zinc/75/82/87/568758287.db2.gz FGYJKWKJVVCXCF-UHFFFAOYSA-N -1 0 401.469 3.027 50 0 HGAARM C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)CC(=O)[O-] ZINC000097165136 568769343 /nfs/dbraw/zinc/76/93/43/568769343.db2.gz UTSUILWOXFKFNY-ZETCQYMHSA-N -1 0 402.669 3.021 50 0 HGAARM CN1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577402 568770027 /nfs/dbraw/zinc/77/00/27/568770027.db2.gz YDJJCEWSISCMHU-CQSZACIVSA-N -1 0 401.517 3.155 50 0 HGAARM O=C(NC[C@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002971985 568831956 /nfs/dbraw/zinc/83/19/56/568831956.db2.gz OOFZCOFFHHWNQG-UYSNPLJNSA-N -1 0 401.532 3.161 50 0 HGAARM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000012525905 568842857 /nfs/dbraw/zinc/84/28/57/568842857.db2.gz ZQKSPFDKDCJYIO-UHFFFAOYSA-N -1 0 419.528 3.032 50 0 HGAARM CCOc1cc2c(cc1COC(=O)c1ccccc1[N-]S(C)(=O)=O)O[C@H](C)C2 ZINC000012532474 568844354 /nfs/dbraw/zinc/84/43/54/568844354.db2.gz JLVOBUWCAJIDRF-CYBMUJFWSA-N -1 0 405.472 3.137 50 0 HGAARM CCCn1c(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[n-]c1=S ZINC000003043743 568848199 /nfs/dbraw/zinc/84/81/99/568848199.db2.gz TXSQECDWUSBPPN-UHFFFAOYSA-N -1 0 408.527 3.058 50 0 HGAARM COCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043830 568848332 /nfs/dbraw/zinc/84/83/32/568848332.db2.gz GNOKHMGLRUDVDK-UHFFFAOYSA-N -1 0 417.918 3.153 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000299804160 568876932 /nfs/dbraw/zinc/87/69/32/568876932.db2.gz DKPMWHFRUGMUKF-ZAAQLCOPSA-N -1 0 408.579 3.449 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004000221 568932061 /nfs/dbraw/zinc/93/20/61/568932061.db2.gz CJTXEFHQAZFYBT-PUECVXPYSA-N -1 0 419.909 3.052 50 0 biogenic HGAARM Cc1cc(OCC(=O)NCCCCCC(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000004030012 568934373 /nfs/dbraw/zinc/93/43/73/568934373.db2.gz DDAWHZJKCNHUIC-UHFFFAOYSA-N -1 0 401.459 3.120 50 0 biogenic HGAARM CCc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)c(=O)[n-]1 ZINC000004317414 568962673 /nfs/dbraw/zinc/96/26/73/568962673.db2.gz GTAAIQHHMSWENV-UHFFFAOYSA-N -1 0 410.499 3.470 50 0 HGAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc(Cl)cc1 ZINC000008381986 568996197 /nfs/dbraw/zinc/99/61/97/568996197.db2.gz WBWXKPMCTONNKG-MRXNPFEDSA-N -1 0 412.902 3.104 50 0 HGAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1cccc(Cl)c1 ZINC000008381987 568996385 /nfs/dbraw/zinc/99/63/85/568996385.db2.gz LULSTIQEAHVZKF-MRXNPFEDSA-N -1 0 412.902 3.104 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(C)n1 ZINC000001516971 569010047 /nfs/dbraw/zinc/01/00/47/569010047.db2.gz QCCMLOIPYFTKSA-UHFFFAOYSA-N -1 0 403.508 3.348 50 0 HGAARM CCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012893142 569020221 /nfs/dbraw/zinc/02/02/21/569020221.db2.gz MLKLTGDBJNTATL-IBGZPJMESA-N -1 0 404.463 3.244 50 0 HGAARM CC1CCN(c2ncc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])CC1 ZINC000035397340 569034848 /nfs/dbraw/zinc/03/48/48/569034848.db2.gz PRQHLGSEOHJWEF-UHFFFAOYSA-N -1 0 411.430 3.095 50 0 HGAARM Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012997290 569048228 /nfs/dbraw/zinc/04/82/28/569048228.db2.gz UKPPKMAZTWVXCS-UHFFFAOYSA-N -1 0 405.501 3.070 50 0 HGAARM COc1cc(C2=N/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=O)O2)ccc1OC(F)F ZINC000012995672 569048278 /nfs/dbraw/zinc/04/82/78/569048278.db2.gz ZPNAMBQYYJEJCG-ZSOIEALJSA-N -1 0 419.336 3.105 50 0 HGAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N[C@H](C)COC)cc1 ZINC000006653281 569082509 /nfs/dbraw/zinc/08/25/09/569082509.db2.gz CLHRPSHQPCSYCJ-CQSZACIVSA-N -1 0 416.503 3.276 50 0 HGAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000006670187 569086716 /nfs/dbraw/zinc/08/67/16/569086716.db2.gz BGPOWXAZKQNOEN-HOCLYGCPSA-N -1 0 410.898 3.414 50 0 HGAARM COc1ccc(NC(=O)[C@]2(CC(=O)[O-])CC(C3=Cc4ccccc4OC3)=NO2)cc1 ZINC000006755182 569112030 /nfs/dbraw/zinc/11/20/30/569112030.db2.gz YEDYSAGPGDRNPJ-JOCHJYFZSA-N -1 0 408.410 3.100 50 0 HGAARM CC1=C(CC(=O)NCC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000006759749 569113239 /nfs/dbraw/zinc/11/32/39/569113239.db2.gz YHIPTYHDOZQZLO-QFXHDXKSSA-N -1 0 413.470 3.482 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000064946979 569129236 /nfs/dbraw/zinc/12/92/36/569129236.db2.gz YNVPMEMKGGCUIW-UHFFFAOYSA-N -1 0 405.451 3.446 50 0 HGAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000065183993 569191079 /nfs/dbraw/zinc/19/10/79/569191079.db2.gz IDGULOLZAAXJQY-UHFFFAOYSA-N -1 0 410.521 3.295 50 0 HGAARM COc1cccc(CNC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 ZINC000065249908 569205913 /nfs/dbraw/zinc/20/59/13/569205913.db2.gz PTYJRGBPSGXNQL-UHFFFAOYSA-N -1 0 424.844 3.011 50 0 HGAARM CCOc1ccccc1NC(=O)c1c([O-])c2cnn(-c3cccc(C)c3)c2[nH]c1=O ZINC000065250039 569206006 /nfs/dbraw/zinc/20/60/06/569206006.db2.gz CTEAAKLOJYJPCH-UHFFFAOYSA-N -1 0 404.426 3.379 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCCN(C(C)C)C3=O)cc1Cl ZINC000065258817 569210548 /nfs/dbraw/zinc/21/05/48/569210548.db2.gz BMVWUGGIZONKKK-UHFFFAOYSA-N -1 0 411.911 3.205 50 0 HGAARM O=C(Nc1cc(-c2n[nH]c(=O)[n-]2)cc(C(F)(F)F)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000065591074 569236573 /nfs/dbraw/zinc/23/65/73/569236573.db2.gz CGOHCUBXJAOHGO-AWEZNQCLSA-N -1 0 424.766 3.379 50 0 HGAARM Cn1cnc(S(=O)(=O)[N-]c2n[nH]cc2-c2ccccc2Br)c1Cl ZINC000089761504 569263562 /nfs/dbraw/zinc/26/35/62/569263562.db2.gz JWBCIQXBLYGVLI-UHFFFAOYSA-N -1 0 416.688 3.027 50 0 HGAARM O=C(NCc1ccc2c(c1)OCO2)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000016839928 569264452 /nfs/dbraw/zinc/26/44/52/569264452.db2.gz QJNHVPBOVVFHHR-UHFFFAOYSA-N -1 0 414.417 3.355 50 0 HGAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCN(Cc1ccccc1)C2 ZINC000016902352 569267076 /nfs/dbraw/zinc/26/70/76/569267076.db2.gz OIWCDPJOGYXNLP-UHFFFAOYSA-N -1 0 416.499 3.286 50 0 HGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)c2oc1=O ZINC000002098513 569281123 /nfs/dbraw/zinc/28/11/23/569281123.db2.gz XZWXSOOCPGIRQF-APWZRJJASA-N -1 0 423.465 3.298 50 0 biogenic HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCn1sc2ccccc2c1=O ZINC000252490519 569289686 /nfs/dbraw/zinc/28/96/86/569289686.db2.gz KWBWGGDPKRRIIR-SFHVURJKSA-N -1 0 423.494 3.137 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)O[C@@H](C)C2 ZINC000017520645 569292497 /nfs/dbraw/zinc/29/24/97/569292497.db2.gz FYAJHQLZEUYGOG-LBPRGKRZSA-N -1 0 402.472 3.094 50 0 HGAARM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000095627344 569359136 /nfs/dbraw/zinc/35/91/36/569359136.db2.gz ARWIWKBRNYMFJM-PWIZWCRZSA-N -1 0 412.486 3.140 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2I)cc1 ZINC000000862267 569363723 /nfs/dbraw/zinc/36/37/23/569363723.db2.gz VLNSMTQFDZLWSC-UHFFFAOYSA-N -1 0 416.240 3.110 50 0 HGAARM COc1ccc([C@@H](CC(=O)NCCc2ccc(O)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471424 569380986 /nfs/dbraw/zinc/38/09/86/569380986.db2.gz RONADUKSANSIBV-HXUWFJFHSA-N -1 0 423.465 3.249 50 0 HGAARM CC(C)(C)OC(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccccc2)CC1 ZINC000252496711 569387721 /nfs/dbraw/zinc/38/77/21/569387721.db2.gz PPKPDIBBZJEQEC-OAHLLOKOSA-N -1 0 415.519 3.139 50 0 HGAARM CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 ZINC000012655283 569402423 /nfs/dbraw/zinc/40/24/23/569402423.db2.gz GHPORMLBYXHFAV-VFFDGNEXSA-N -1 0 416.514 3.240 50 0 biogenic HGAARM COc1ccccc1NC(=O)CSC1=NC(=O)C(C/C=C/c2ccccc2)C([O-])=N1 ZINC000008589923 571085076 /nfs/dbraw/zinc/08/50/76/571085076.db2.gz LSCNDNLMCKHZGR-JXMROGBWSA-N -1 0 423.494 3.471 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)cc1OC ZINC000008725669 571108322 /nfs/dbraw/zinc/10/83/22/571108322.db2.gz RRPPZXMZFKOJFN-UHFFFAOYSA-N -1 0 404.488 3.177 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1ccccn1 ZINC000008978687 571198255 /nfs/dbraw/zinc/19/82/55/571198255.db2.gz FYFLZQNHJMANJL-UHFFFAOYSA-N -1 0 422.919 3.231 50 0 HGAARM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000040158565 571205054 /nfs/dbraw/zinc/20/50/54/571205054.db2.gz SQPCSQKQZONNFQ-LJQANCHMSA-N -1 0 404.474 3.238 50 0 HGAARM NC(=O)c1ccsc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009714705 571281481 /nfs/dbraw/zinc/28/14/81/571281481.db2.gz IGPWHUBIJDSZED-UHFFFAOYSA-N -1 0 419.459 3.039 50 0 HGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)N1CCc2ccccc21 ZINC000009761951 571284551 /nfs/dbraw/zinc/28/45/51/571284551.db2.gz GOMYMHXVNVEXLP-UHFFFAOYSA-N -1 0 407.904 3.133 50 0 HGAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cc(C)ccn2)c(C)n1C ZINC000021154434 571305511 /nfs/dbraw/zinc/30/55/11/571305511.db2.gz XDJJDYCWECTTDV-UHFFFAOYSA-N -1 0 404.536 3.162 50 0 HGAARM CCOC(=O)[N-]c1nn(CN2CCN(c3ccccc3OCC)CC2)c(=S)s1 ZINC000032935484 520998547 /nfs/dbraw/zinc/99/85/47/520998547.db2.gz ZALKERBEOFRORX-UHFFFAOYSA-N -1 0 423.564 3.421 50 0 HGAARM COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000000845435 523489826 /nfs/dbraw/zinc/48/98/26/523489826.db2.gz KEFLOEVICNQOTE-UVTDQMKNSA-N -1 0 401.216 3.124 50 0 HGAARM COc1ccc(OC)c([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000040310303 524899893 /nfs/dbraw/zinc/89/98/93/524899893.db2.gz NFGXGGZEZBHTBW-HXUWFJFHSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000032102492 527656355 /nfs/dbraw/zinc/65/63/55/527656355.db2.gz ULAGRRUPIPJJSS-FOIQADDNSA-N -1 0 421.453 3.343 50 0 HGAARM CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O ZINC000005563690 535226843 /nfs/dbraw/zinc/22/68/43/535226843.db2.gz MTMPYGZJBOEVBW-ZZEZOPTASA-N -1 0 420.444 3.386 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(I)cc2)c1 ZINC000000644820 557034568 /nfs/dbraw/zinc/03/45/68/557034568.db2.gz NWODJUKJHSULQK-UHFFFAOYSA-N -1 0 419.240 3.109 50 0 HGAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000858376 557103604 /nfs/dbraw/zinc/10/36/04/557103604.db2.gz UMPQWZYEWHIVMD-UHFFFAOYSA-N -1 0 403.485 3.270 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1 ZINC000001135343 557200937 /nfs/dbraw/zinc/20/09/37/557200937.db2.gz YMVWSLQSLHASRU-UHFFFAOYSA-N -1 0 414.462 3.215 50 0 HGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccccc1 ZINC000001205333 557240607 /nfs/dbraw/zinc/24/06/07/557240607.db2.gz SFPHIXORCJLMFT-RIYZIHGNSA-N -1 0 403.232 3.217 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000002369159 557341151 /nfs/dbraw/zinc/34/11/51/557341151.db2.gz PPWOOCYHOJSGDX-UHFFFAOYSA-N -1 0 402.863 3.492 50 0 HGAARM O=C(CCc1nnc(-c2ccc(F)c(Cl)c2)[n-]c1=O)NCCc1ccccc1 ZINC000034768604 557463219 /nfs/dbraw/zinc/46/32/19/557463219.db2.gz DTTWBBYVKLHQSC-UHFFFAOYSA-N -1 0 400.841 3.328 50 0 HGAARM O=C([O-])c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000004492454 557559412 /nfs/dbraw/zinc/55/94/12/557559412.db2.gz FQPNNQGUUJKHAL-UHFFFAOYSA-N -1 0 408.863 3.075 50 0 HGAARM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000004521957 557563333 /nfs/dbraw/zinc/56/33/33/557563333.db2.gz GIACMAUJWJTJCD-UHFFFAOYSA-N -1 0 414.512 3.149 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000004809325 557599776 /nfs/dbraw/zinc/59/97/76/557599776.db2.gz KKOIZUIUYXTNBE-UHFFFAOYSA-N -1 0 403.241 3.409 50 0 HGAARM CSCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004845788 557605807 /nfs/dbraw/zinc/60/58/07/557605807.db2.gz YKWCWHMKDAUVDY-ZCOZCJCESA-N -1 0 407.491 3.085 50 0 HGAARM Cn1cc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cn1 ZINC000521394027 557612816 /nfs/dbraw/zinc/61/28/16/557612816.db2.gz QRBRWXDSSLZBEA-INIZCTEOSA-N -1 0 405.454 3.202 50 0 HGAARM O=C([O-])c1cccc(CNC(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000005636992 557666176 /nfs/dbraw/zinc/66/61/76/557666176.db2.gz NHSVLKQMKAFWHO-UHFFFAOYSA-N -1 0 402.863 3.232 50 0 HGAARM CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccc(Cl)cc4)C3=C2[O-])cc1 ZINC000006351263 557699955 /nfs/dbraw/zinc/69/99/55/557699955.db2.gz XPFUFHULHQBIPD-IEBWSBKVSA-N -1 0 411.845 3.062 50 0 HGAARM Cc1c(C(=O)N(C)C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002760201 557758423 /nfs/dbraw/zinc/75/84/23/557758423.db2.gz GZICANRPHQGORW-CHWSQXEVSA-N -1 0 424.519 3.153 50 0 HGAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCc1ccco1 ZINC000002974426 557775834 /nfs/dbraw/zinc/77/58/34/557775834.db2.gz QGXHKVHWGVRXET-UHFFFAOYSA-N -1 0 415.471 3.258 50 0 HGAARM CCOc1ccc2nc([N-][C@@](NC(=O)CC)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009087771 557822335 /nfs/dbraw/zinc/82/23/35/557822335.db2.gz IAPUWMMVMPOVSB-HNNXBMFYSA-N -1 0 405.398 3.065 50 0 HGAARM Cc1nc2ccc([N-]S(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2nc1C ZINC000009130766 557824726 /nfs/dbraw/zinc/82/47/26/557824726.db2.gz ZUKOVKPGEFSVJS-UHFFFAOYSA-N -1 0 418.862 3.146 50 0 HGAARM O=C([O-])CCN1C(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2C1=O ZINC000009225131 557830178 /nfs/dbraw/zinc/83/01/78/557830178.db2.gz JSYSFMCVGSVKCI-UHFFFAOYSA-N -1 0 418.858 3.142 50 0 HGAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852279 557839811 /nfs/dbraw/zinc/83/98/11/557839811.db2.gz YYYAVTGXSSJOQF-INIZCTEOSA-N -1 0 414.462 3.442 50 0 HGAARM CCN1c2ccc(S(=O)(=O)N(C)c3ccccc3C(=O)[O-])c3cccc(c23)C1=O ZINC000011691610 558270237 /nfs/dbraw/zinc/27/02/37/558270237.db2.gz JLHAKCDQUHBTDZ-UHFFFAOYSA-N -1 0 410.451 3.343 50 0 HGAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)c(Br)c1 ZINC000019878616 558300227 /nfs/dbraw/zinc/30/02/27/558300227.db2.gz BVSFZZKFDLBHFY-CYBMUJFWSA-N -1 0 421.272 3.275 50 0 HGAARM COCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004356039 558443393 /nfs/dbraw/zinc/44/33/93/558443393.db2.gz ACMNIUCGQQGFOW-UNOMPAQXSA-N -1 0 418.453 3.126 50 0 HGAARM O=C([O-])/C=C/c1cc(Br)ccc1OCC(=O)NCCc1ccccc1 ZINC000022077328 558462690 /nfs/dbraw/zinc/46/26/90/558462690.db2.gz QXVHFMSCXCLPPZ-RMKNXTFCSA-N -1 0 404.260 3.285 50 0 HGAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccnc2Sc2ccccc2)C1=O ZINC000013014694 558503929 /nfs/dbraw/zinc/50/39/29/558503929.db2.gz JRSHNWHQULYKHA-QFIPXVFZSA-N -1 0 418.478 3.345 50 0 HGAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000013140963 558521917 /nfs/dbraw/zinc/52/19/17/558521917.db2.gz KSRZFKQKYHYRKL-UHFFFAOYSA-N -1 0 412.261 3.239 50 0 HGAARM COc1ccc(CC2C(=O)N=C(SCC(=O)c3ccc(OC)cc3)N=C2[O-])cc1 ZINC000013522288 558536533 /nfs/dbraw/zinc/53/65/33/558536533.db2.gz GIYINKBHUKLJMP-UHFFFAOYSA-N -1 0 412.467 3.059 50 0 HGAARM O=C([O-])CCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@]12C(=O)Nc1ccccc12 ZINC000013626344 558551294 /nfs/dbraw/zinc/55/12/94/558551294.db2.gz MCAFNBINNVGXIX-JOCHJYFZSA-N -1 0 403.394 3.082 50 0 HGAARM C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000072191513 558563081 /nfs/dbraw/zinc/56/30/81/558563081.db2.gz BCCGEHZWYPVMJB-ZDUSSCGKSA-N -1 0 412.471 3.384 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Br ZINC000029435476 558715208 /nfs/dbraw/zinc/71/52/08/558715208.db2.gz BUWRPLZQRYHERI-UHFFFAOYSA-N -1 0 412.309 3.122 50 0 HGAARM O=C(c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCOCC1 ZINC000015420817 558739543 /nfs/dbraw/zinc/73/95/43/558739543.db2.gz XFKFHEZEUPIGGR-UHFFFAOYSA-N -1 0 415.298 3.267 50 0 HGAARM O=C(c1c2c(sc1[N-]S(=O)(=O)c1ccccc1F)CCCC2)N1CCOCC1 ZINC000016095140 558771682 /nfs/dbraw/zinc/77/16/82/558771682.db2.gz QBKMLIWFRXHSGP-UHFFFAOYSA-N -1 0 424.519 3.039 50 0 HGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000016121594 558773012 /nfs/dbraw/zinc/77/30/12/558773012.db2.gz HJKMNLNEIBMZTP-UHFFFAOYSA-N -1 0 416.499 3.275 50 0 HGAARM O=C(COc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000016448385 558791683 /nfs/dbraw/zinc/79/16/83/558791683.db2.gz PSNTXZDIRNAQBS-UHFFFAOYSA-N -1 0 420.284 3.486 50 0 HGAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)N(C)C)cc1 ZINC000016847765 558808612 /nfs/dbraw/zinc/80/86/12/558808612.db2.gz ICWSVQFQQJICHO-UHFFFAOYSA-N -1 0 415.540 3.398 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(F)cc2C)cc1 ZINC000097937910 558813654 /nfs/dbraw/zinc/81/36/54/558813654.db2.gz SCAXCIDWHLKRLM-UHFFFAOYSA-N -1 0 418.450 3.227 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007153 558827937 /nfs/dbraw/zinc/82/79/37/558827937.db2.gz BGRUTNZKPMDGKM-CQSZACIVSA-N -1 0 404.488 3.431 50 0 HGAARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4n3C(C)=O)C2=O)cc1 ZINC000000977220 558835831 /nfs/dbraw/zinc/83/58/31/558835831.db2.gz UCQWQEXUZJFJBT-CPNJWEJPSA-N -1 0 417.421 3.367 50 0 HGAARM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651263 558869542 /nfs/dbraw/zinc/86/95/42/558869542.db2.gz NGACVQIMNONRCX-ZWKOTPCHSA-N -1 0 417.458 3.423 50 0 HGAARM O=C([O-])[C@H]1CC[C@@H](c2nc3cc(F)ccc3c3nc(=O)c(-c4ccccc4)nn32)C1 ZINC000170620120 558881370 /nfs/dbraw/zinc/88/13/70/558881370.db2.gz CTTAXRWDMSSSIV-KGLIPLIRSA-N -1 0 404.401 3.412 50 0 HGAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000058250098 558915129 /nfs/dbraw/zinc/91/51/29/558915129.db2.gz ZZOSSAHYHQFDKR-UHFFFAOYSA-N -1 0 421.906 3.117 50 0 HGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3C)CC2)cc1C(=O)[O-] ZINC000033259895 558928665 /nfs/dbraw/zinc/92/86/65/558928665.db2.gz WCJNNHHUUQJTHC-UHFFFAOYSA-N -1 0 417.531 3.090 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000097940953 558945956 /nfs/dbraw/zinc/94/59/56/558945956.db2.gz WIUJRDLUBLPPPK-UHFFFAOYSA-N -1 0 402.476 3.098 50 0 HGAARM O=C([O-])[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)c1ccccc1 ZINC000067640739 558990633 /nfs/dbraw/zinc/99/06/33/558990633.db2.gz CLKMMBIMPPIPID-QHCPKHFHSA-N -1 0 413.433 3.006 50 0 HGAARM COCCOc1cc2ncnc(Nc3cccc(C(=O)[O-])c3)c2cc1OCCOC ZINC000584907176 559035854 /nfs/dbraw/zinc/03/58/54/559035854.db2.gz MWDJGAINTKPYBQ-UHFFFAOYSA-N -1 0 413.430 3.122 50 0 HGAARM COc1ccc(CCNC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1 ZINC000004742631 559044628 /nfs/dbraw/zinc/04/46/28/559044628.db2.gz QPIIOWBFVULROM-UHFFFAOYSA-N -1 0 401.846 3.370 50 0 HGAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2s1 ZINC000033298917 559048134 /nfs/dbraw/zinc/04/81/34/559048134.db2.gz SNEJKKXKLGPBOC-UHFFFAOYSA-N -1 0 400.478 3.030 50 0 HGAARM COc1ccc(CCNc2nc(=O)c(Cc3ccc(Cl)cc3)n[n-]2)cc1OC ZINC000011340504 559056520 /nfs/dbraw/zinc/05/65/20/559056520.db2.gz NXSFDEKZQLRXKP-UHFFFAOYSA-N -1 0 400.866 3.081 50 0 HGAARM COCCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1cccc(C)c1 ZINC000011340515 559056526 /nfs/dbraw/zinc/05/65/26/559056526.db2.gz LNAOHYAYORYOCT-UHFFFAOYSA-N -1 0 413.528 3.490 50 0 HGAARM Nc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c(-c2ccccc2)n1 ZINC000095383212 559080499 /nfs/dbraw/zinc/08/04/99/559080499.db2.gz FBIACOPDPBCTNW-SFHVURJKSA-N -1 0 402.454 3.444 50 0 HGAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccc3nccnc3c2)C1 ZINC000011692457 559186358 /nfs/dbraw/zinc/18/63/58/559186358.db2.gz KFCUJVHSEUFSPA-LJQANCHMSA-N -1 0 404.426 3.181 50 0 HGAARM COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(=O)nc2ccc(C(F)(F)F)cn2c1[O-] ZINC000205972984 559197747 /nfs/dbraw/zinc/19/77/47/559197747.db2.gz DRGSJHLAHLHPOQ-AWEZNQCLSA-N -1 0 422.359 3.123 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000004938254 559211369 /nfs/dbraw/zinc/21/13/69/559211369.db2.gz RGNAJKQAFMUAHV-UHFFFAOYSA-N -1 0 415.515 3.462 50 0 HGAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)cc2)cc1Br ZINC000004957335 559216843 /nfs/dbraw/zinc/21/68/43/559216843.db2.gz SGYGAFPFBYZTPZ-UHFFFAOYSA-N -1 0 414.277 3.046 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000005154689 559254332 /nfs/dbraw/zinc/25/43/32/559254332.db2.gz ZWQFHPZMBGMSPF-UHFFFAOYSA-N -1 0 410.499 3.112 50 0 HGAARM CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=S)n(Cc2ccccc2)c1=O ZINC000100749947 559262462 /nfs/dbraw/zinc/26/24/62/559262462.db2.gz YKUUXYWYCVWXNH-IBGZPJMESA-N -1 0 407.495 3.154 50 0 biogenic HGAARM O=C([O-])Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)cc1 ZINC000064775545 559276872 /nfs/dbraw/zinc/27/68/72/559276872.db2.gz BRJHQVOQDFMSSH-MRXNPFEDSA-N -1 0 416.433 3.167 50 0 HGAARM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)/C=C/C(=O)[O-] ZINC000002188966 560585052 /nfs/dbraw/zinc/58/50/52/560585052.db2.gz FFCBLBLACIYQJM-MDZDMXLPSA-N -1 0 402.428 3.065 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000005497970 560598179 /nfs/dbraw/zinc/59/81/79/560598179.db2.gz SILXYWQSVVPELK-HOTGVXAUSA-N -1 0 403.895 3.449 50 0 HGAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccsc1C(=O)OC ZINC000018050209 560774077 /nfs/dbraw/zinc/77/40/77/560774077.db2.gz DTPXYOXMUKLTLK-UHFFFAOYSA-N -1 0 420.306 3.497 50 0 HGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 ZINC000101298286 560791032 /nfs/dbraw/zinc/79/10/32/560791032.db2.gz MKQKBTRLUWMPBO-IBGZPJMESA-N -1 0 404.426 3.436 50 0 HGAARM O=C(NCc1ccc(F)cc1F)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301788 560791267 /nfs/dbraw/zinc/79/12/67/560791267.db2.gz IVHWYZUSXORSAG-UHFFFAOYSA-N -1 0 407.376 3.300 50 0 HGAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102762413 560826383 /nfs/dbraw/zinc/82/63/83/560826383.db2.gz GGMRDPNNDBIXGV-NJDAHSKKSA-N -1 0 414.417 3.436 50 0 HGAARM C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1ccccc1C[C@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000103406103 560841698 /nfs/dbraw/zinc/84/16/98/560841698.db2.gz ICFQVZKELAHHIM-WQYJIASKSA-N -1 0 403.482 3.363 50 0 HGAARM C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)C1 ZINC000103587712 560843609 /nfs/dbraw/zinc/84/36/09/560843609.db2.gz AAXBSSVTJANDHI-JZXOWHBKSA-N -1 0 406.573 3.142 50 0 HGAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCOCC2)c1 ZINC000022852459 568415651 /nfs/dbraw/zinc/41/56/51/568415651.db2.gz PLPHCHGFTUGUTK-INIZCTEOSA-N -1 0 412.471 3.187 50 0 HGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000627574 568456130 /nfs/dbraw/zinc/45/61/30/568456130.db2.gz HYBBUZCLWSYURK-GJZGRUSLSA-N -1 0 410.426 3.497 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000000755064 568472054 /nfs/dbraw/zinc/47/20/54/568472054.db2.gz RIKAUWSRRCJDOX-UHFFFAOYSA-N -1 0 418.425 3.425 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(F)c3)[nH]n2)cc1 ZINC000032984992 568510171 /nfs/dbraw/zinc/51/01/71/568510171.db2.gz HRHAGIRIQVZMLC-UHFFFAOYSA-N -1 0 418.450 3.309 50 0 HGAARM CC(=O)N[C@H](CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000221914354 568512047 /nfs/dbraw/zinc/51/20/47/568512047.db2.gz CZZQPFQCSKYAJP-WYAVIUHXSA-N -1 0 404.413 3.110 50 0 HGAARM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033298943 568513177 /nfs/dbraw/zinc/51/31/77/568513177.db2.gz OCVLSYZSUCMWNA-UHFFFAOYSA-N -1 0 420.896 3.293 50 0 HGAARM CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000095424402 568607540 /nfs/dbraw/zinc/60/75/40/568607540.db2.gz YTXHJXKMSCZKBG-MRXNPFEDSA-N -1 0 403.500 3.232 50 0 HGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCOCc2ccccc2)cc1OC ZINC000095424065 568607558 /nfs/dbraw/zinc/60/75/58/568607558.db2.gz HNJZFSZTTFQUMW-GOSISDBHSA-N -1 0 401.459 3.333 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000095424586 568607727 /nfs/dbraw/zinc/60/77/27/568607727.db2.gz YKLOBJBTMGFKPN-IBGZPJMESA-N -1 0 417.421 3.439 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1-c1ccccc1 ZINC000095424995 568607799 /nfs/dbraw/zinc/60/77/99/568607799.db2.gz RPYJQKADKDTZOR-UHFFFAOYSA-N -1 0 404.422 3.429 50 0 HGAARM COc1ccc(CCC(=O)Nc2ccc(OCC(=O)[O-])cc2C)c(OC)c1OC ZINC000095425265 568607983 /nfs/dbraw/zinc/60/79/83/568607983.db2.gz JXLPPANYYNQDLZ-UHFFFAOYSA-N -1 0 403.431 3.056 50 0 HGAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)no3)cc2C)cc1OC ZINC000040152652 568625485 /nfs/dbraw/zinc/62/54/85/568625485.db2.gz VXXCVPLHFIAUFI-UHFFFAOYSA-N -1 0 407.423 3.311 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)cc1F ZINC000021147906 568670959 /nfs/dbraw/zinc/67/09/59/568670959.db2.gz GCDQJUSDQKIEMW-UHFFFAOYSA-N -1 0 403.460 3.466 50 0 HGAARM O=C([O-])CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000095970350 568671212 /nfs/dbraw/zinc/67/12/12/568671212.db2.gz JRMJAUJKAGYSGP-UHFFFAOYSA-N -1 0 408.451 3.001 50 0 HGAARM COc1cc(C(=O)/C=C\c2csc(N(C)C(C)=O)n2)ccc1SCC(=O)[O-] ZINC000096291769 568671877 /nfs/dbraw/zinc/67/18/77/568671877.db2.gz PCEBZEJEVQNWHR-WAYWQWQTSA-N -1 0 406.485 3.207 50 0 HGAARM CSc1nc2n(n1)[C@](O)(C(=O)[O-])[C@@H](c1ccccc1)[C@@H](c1ccc(Cl)cc1)N2 ZINC000226979203 568698952 /nfs/dbraw/zinc/69/89/52/568698952.db2.gz YHORAYAHSPBGBY-QMTMVMCOSA-N -1 0 416.890 3.334 50 0 HGAARM CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCC[C@H]32)C(=O)NC1=S ZINC000229919878 568716074 /nfs/dbraw/zinc/71/60/74/568716074.db2.gz STQPTDBQPUDKPZ-APXLUKDGSA-N -1 0 405.951 3.283 50 0 HGAARM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000685944922 568722859 /nfs/dbraw/zinc/72/28/59/568722859.db2.gz IGQNDNHOEVYVSD-JKSUJKDBSA-N -1 0 422.481 3.237 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000096361155 568738978 /nfs/dbraw/zinc/73/89/78/568738978.db2.gz YFPQXTSBALHFDP-UHFFFAOYSA-N -1 0 406.851 3.125 50 0 HGAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1-c1nc(C2CC2)no1 ZINC000096379853 568741699 /nfs/dbraw/zinc/74/16/99/568741699.db2.gz DIBIFZZQEMVKHO-UHFFFAOYSA-N -1 0 416.459 3.131 50 0 HGAARM CN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000947845 568754662 /nfs/dbraw/zinc/75/46/62/568754662.db2.gz GBESOPUNIGSTJG-UHFFFAOYSA-N -1 0 402.501 3.262 50 0 HGAARM O=C([O-])c1cccc(NC(=O)CS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000000973906 568759369 /nfs/dbraw/zinc/75/93/69/568759369.db2.gz DEELODXQNYZMOV-UHFFFAOYSA-N -1 0 421.780 3.469 50 0 HGAARM CC(C)C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002950039 568820707 /nfs/dbraw/zinc/82/07/07/568820707.db2.gz NLVPAYPOXXOVKH-UVQBRAAOSA-N -1 0 404.850 3.319 50 0 HGAARM COC(=O)C[C@@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccc(Br)cc1C ZINC000012464343 568837872 /nfs/dbraw/zinc/83/78/72/568837872.db2.gz JVWDQUNRXNWURP-MRXNPFEDSA-N -1 0 424.291 3.433 50 0 HGAARM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000012525866 568842867 /nfs/dbraw/zinc/84/28/67/568842867.db2.gz DRMXHOYXORBNTH-UHFFFAOYSA-N -1 0 418.496 3.236 50 0 HGAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000012526382 568843320 /nfs/dbraw/zinc/84/33/20/568843320.db2.gz XSTKDEIJBJPNSB-UHFFFAOYSA-N -1 0 408.705 3.262 50 0 HGAARM C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000012559768 568857324 /nfs/dbraw/zinc/85/73/24/568857324.db2.gz FJDDCKBXDSELDZ-MRVPVSSYSA-N -1 0 401.416 3.231 50 0 HGAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(=O)C(C)(C)C)cc1 ZINC000012561068 568858559 /nfs/dbraw/zinc/85/85/59/568858559.db2.gz HFHSHCNXYATLGT-UHFFFAOYSA-N -1 0 416.499 3.035 50 0 HGAARM CC(NCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000003771558 568868224 /nfs/dbraw/zinc/86/82/24/568868224.db2.gz KYWOBPVSCXGMIS-FOWTUZBSSA-N -1 0 403.360 3.352 50 0 HGAARM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1c(Cl)cccc1Cl ZINC000012604520 568870572 /nfs/dbraw/zinc/87/05/72/568870572.db2.gz JMHKRCUJEAUWJV-UHFFFAOYSA-N -1 0 421.327 3.334 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc2c(c1)CCCC2 ZINC000003313228 568878806 /nfs/dbraw/zinc/87/88/06/568878806.db2.gz PDGMRVNHPPIAPQ-UHFFFAOYSA-N -1 0 408.483 3.409 50 0 HGAARM CC(NCc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000001407376 568928480 /nfs/dbraw/zinc/92/84/80/568928480.db2.gz KEALQJQEYDXMFY-LFIBNONCSA-N -1 0 421.350 3.491 50 0 HGAARM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc21 ZINC000015781415 569002581 /nfs/dbraw/zinc/00/25/81/569002581.db2.gz FXSMSMHHBBKBFC-UHFFFAOYSA-N -1 0 414.574 3.350 50 0 HGAARM NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911626 569033825 /nfs/dbraw/zinc/03/38/25/569033825.db2.gz TVWNSTQTSIKAOI-UHFFFAOYSA-N -1 0 402.325 3.490 50 0 HGAARM COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)[O-])CC4)n4ncnc(N)c34)[nH]c21 ZINC000252286769 569059345 /nfs/dbraw/zinc/05/93/45/569059345.db2.gz JROFGZPOBKIAEW-HAQNSBGRSA-N -1 0 406.446 3.222 50 0 investigational HGAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)c1 ZINC000064565371 569067039 /nfs/dbraw/zinc/06/70/39/569067039.db2.gz IOYMHZUPECYPKB-SJORKVTESA-N -1 0 422.832 3.192 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 ZINC000006636459 569076606 /nfs/dbraw/zinc/07/66/06/569076606.db2.gz YNEXZIKRUMLSIL-WMLDXEAASA-N -1 0 403.475 3.437 50 0 HGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1Cl ZINC000064946729 569128418 /nfs/dbraw/zinc/12/84/18/569128418.db2.gz RLSRWQJATQYHTQ-UHFFFAOYSA-N -1 0 400.865 3.061 50 0 HGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000036357141 569148802 /nfs/dbraw/zinc/14/88/02/569148802.db2.gz YCNVSSBRDSVIMD-UHFFFAOYSA-N -1 0 402.451 3.387 50 0 HGAARM O=C([O-])[C@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000036360519 569151623 /nfs/dbraw/zinc/15/16/23/569151623.db2.gz JKKRBOBZGKWIHX-YWZLYKJASA-N -1 0 421.453 3.343 50 0 HGAARM Cc1cccc([N-]S(=O)(=O)c2cc(C)ccc2N2C(=O)c3cccnc3C2=O)c1 ZINC000006919496 569181604 /nfs/dbraw/zinc/18/16/04/569181604.db2.gz GEHKHBCAIAGCJN-UHFFFAOYSA-N -1 0 407.451 3.300 50 0 HGAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC000006919741 569181692 /nfs/dbraw/zinc/18/16/92/569181692.db2.gz VJPMRMWHQLHBCE-UHFFFAOYSA-N -1 0 414.936 3.315 50 0 HGAARM COC(=O)c1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)c1 ZINC000065150520 569184971 /nfs/dbraw/zinc/18/49/71/569184971.db2.gz QJIGGLVPRNCAIS-SNVBAGLBSA-N -1 0 412.467 3.459 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)c1 ZINC000065196261 569194564 /nfs/dbraw/zinc/19/45/64/569194564.db2.gz LZXUIASZWZCLBR-UHFFFAOYSA-N -1 0 406.529 3.242 50 0 HGAARM COc1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 ZINC000065250005 569206007 /nfs/dbraw/zinc/20/60/07/569206007.db2.gz YFUSZUZQWQOCBQ-UHFFFAOYSA-N -1 0 410.817 3.334 50 0 HGAARM C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)[O-] ZINC000013579302 569256442 /nfs/dbraw/zinc/25/64/42/569256442.db2.gz CLLPESKKEWCCHH-PTNGSMBKSA-N -1 0 410.426 3.068 50 0 HGAARM C/C(=C/C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1)C(=O)[O-] ZINC000013579297 569256481 /nfs/dbraw/zinc/25/64/81/569256481.db2.gz BGPAEINRJMFGMM-IKESIWSLSA-N -1 0 410.426 3.148 50 0 HGAARM Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)CCC(=O)[O-])cc3)C2=O)cc1 ZINC000017089150 569273978 /nfs/dbraw/zinc/27/39/78/569273978.db2.gz BOYYPZDYUZPOHM-KRWDZBQOSA-N -1 0 412.467 3.223 50 0 HGAARM CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)o1 ZINC000000804351 569276729 /nfs/dbraw/zinc/27/67/29/569276729.db2.gz VAMKSKNLTHOIGT-UHFFFAOYSA-N -1 0 400.460 3.302 50 0 HGAARM Cc1cc(OCC(=O)N[C@H](C(=O)[O-])c2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002099515 569281124 /nfs/dbraw/zinc/28/11/24/569281124.db2.gz WYMJMBGTMYQTNC-QFIPXVFZSA-N -1 0 421.449 3.301 50 0 biogenic HGAARM C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002107854 569283245 /nfs/dbraw/zinc/28/32/45/569283245.db2.gz SVYPFMPUTFLZBK-QKKBWIMNSA-N -1 0 421.449 3.381 50 0 biogenic HGAARM Cc1c(OCC(=O)NCCCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002136991 569287590 /nfs/dbraw/zinc/28/75/90/569287590.db2.gz LDGUFQFNOXIMIF-UHFFFAOYSA-N -1 0 401.459 3.120 50 0 biogenic HGAARM Cc1c(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002156235 569290411 /nfs/dbraw/zinc/29/04/11/569290411.db2.gz QNQORKPXIPGGOB-JKSUJKDBSA-N -1 0 423.465 3.357 50 0 biogenic HGAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007780805 569310080 /nfs/dbraw/zinc/31/00/80/569310080.db2.gz BSYKVMBNFFJCIM-JHMRYYBSSA-N -1 0 405.516 3.389 50 0 HGAARM O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000002254040 569326131 /nfs/dbraw/zinc/32/61/31/569326131.db2.gz XLZJBWHRRPPVGH-YBEGLDIGSA-N -1 0 407.253 3.355 50 0 HGAARM CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257349491 569363880 /nfs/dbraw/zinc/36/38/80/569363880.db2.gz OMOKWYAQVYBHMG-LTGKAUERSA-N -1 0 412.548 3.457 50 0 HGAARM C[C@H]1SCCN(C(=O)c2cccc(C(=O)N3CCS[C@@H](C)[C@@H]3C)c2[O-])[C@@H]1C ZINC000253424364 569367944 /nfs/dbraw/zinc/36/79/44/569367944.db2.gz FFDWXPJAGOWYLK-NMWPEEMBSA-N -1 0 408.589 3.324 50 0 HGAARM C[C@H]1SCCN(C(=O)c2cccc(C(=O)N3CCS[C@@H](C)[C@H]3C)c2[O-])[C@H]1C ZINC000253424366 569368044 /nfs/dbraw/zinc/36/80/44/569368044.db2.gz FFDWXPJAGOWYLK-PYHGIMPFSA-N -1 0 408.589 3.324 50 0 HGAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)C1 ZINC000012896603 569404793 /nfs/dbraw/zinc/40/47/93/569404793.db2.gz AERPIHMEUNXTLY-MRXNPFEDSA-N -1 0 407.422 3.162 50 0 biogenic HGAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccco2)cc1 ZINC000013124095 569409605 /nfs/dbraw/zinc/40/96/05/569409605.db2.gz SOOTYNXHYFRPCQ-MHWRWJLKSA-N -1 0 420.377 3.116 50 0 HGAARM O=S(=O)([N-]c1noc2ccc(C(F)(F)F)cc21)c1cnn(C2CCOCC2)c1 ZINC000328593971 569415637 /nfs/dbraw/zinc/41/56/37/569415637.db2.gz FGZSMCLMOKMWNL-UHFFFAOYSA-N -1 0 416.381 3.195 50 0 HGAARM COc1cccc(NC(=O)CSC2=NC(=O)C(C/C=C/c3ccccc3)C([O-])=N2)c1 ZINC000008589920 571085054 /nfs/dbraw/zinc/08/50/54/571085054.db2.gz VYAQSPDEYXDFDV-WEVVVXLNSA-N -1 0 423.494 3.471 50 0 HGAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2CCC1=O ZINC000008840534 571123495 /nfs/dbraw/zinc/12/34/95/571123495.db2.gz YACYVSLWYHQKRY-UHFFFAOYSA-N -1 0 404.488 3.194 50 0 HGAARM CCN(CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000008974673 571197481 /nfs/dbraw/zinc/19/74/81/571197481.db2.gz YOKINWYFHNSJDT-CAPFRKAQSA-N -1 0 406.486 3.497 50 0 HGAARM O=C([O-])CCCn1c(/C=C/c2csc(-c3ncccn3)n2)nc2ccccc2c1=O ZINC000040154562 571201797 /nfs/dbraw/zinc/20/17/97/571201797.db2.gz YNSFKMBQHJGFNA-CMDGGOBGSA-N -1 0 419.466 3.345 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 ZINC000040267182 571214073 /nfs/dbraw/zinc/21/40/73/571214073.db2.gz QQNCUHFXAACJOJ-ICSRJNTNSA-N -1 0 424.888 3.416 50 0 HGAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000009130296 571227479 /nfs/dbraw/zinc/22/74/79/571227479.db2.gz DLOWHWGADDKEEO-UHFFFAOYSA-N -1 0 424.725 3.307 50 0 HGAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c1 ZINC000009169117 571233402 /nfs/dbraw/zinc/23/34/02/571233402.db2.gz HTSVFACIBSOQFA-UHFFFAOYSA-N -1 0 404.488 3.416 50 0 HGAARM O=C([O-])[C@@H]1CC12CCN(C(=O)C1(c3cccc(Br)c3)CCOCC1)CC2 ZINC000069951960 571251232 /nfs/dbraw/zinc/25/12/32/571251232.db2.gz NDTJTHPBBJRHRG-INIZCTEOSA-N -1 0 422.319 3.211 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1S(=O)(=O)N(C)C ZINC000009539499 571267253 /nfs/dbraw/zinc/26/72/53/571267253.db2.gz WSYVILKEVBWSOY-UHFFFAOYSA-N -1 0 423.343 3.353 50 0 HGAARM O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)s1 ZINC000071843176 571303027 /nfs/dbraw/zinc/30/30/27/571303027.db2.gz MHNWOTZINYPFDH-UHFFFAOYSA-N -1 0 402.291 3.350 50 0 HGAARM COCCOc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])cc1OC ZINC000010511973 571303953 /nfs/dbraw/zinc/30/39/53/571303953.db2.gz HTSJOXNJHHOFOH-UHFFFAOYSA-N -1 0 423.487 3.343 50 0 HGAARM COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C(=O)[O-])n2)cc1OC ZINC000033000119 571315659 /nfs/dbraw/zinc/31/56/59/571315659.db2.gz LMYLFLIVEJFMEW-UHFFFAOYSA-N -1 0 411.414 3.413 50 0 HGAARM CC(=O)Nc1ccc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000032666580 519732128 /nfs/dbraw/zinc/73/21/28/519732128.db2.gz IPRXWCZZNSEKDY-IBGZPJMESA-N -1 0 411.483 3.031 50 0 HGAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000032962220 519838721 /nfs/dbraw/zinc/83/87/21/519838721.db2.gz UHYNRSKZYKGVNM-UHFFFAOYSA-N -1 0 404.488 3.146 50 0 HGAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000032895081 520339460 /nfs/dbraw/zinc/33/94/60/520339460.db2.gz LVCFYSRZWRZDHS-UHFFFAOYSA-N -1 0 421.397 3.195 50 0 HGAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)[n-]c2=O)cc1 ZINC000032778617 523259819 /nfs/dbraw/zinc/25/98/19/523259819.db2.gz GCLQBZXNVAMHFV-UHFFFAOYSA-N -1 0 404.398 3.262 50 0 HGAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238881509 523743415 /nfs/dbraw/zinc/74/34/15/523743415.db2.gz AIKXQDGJPPLSHC-KOMQPUFPSA-N -1 0 401.459 3.050 50 0 biogenic HGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H]2C[C@@H](C)OC2=O)c(C)c1 ZINC000032879580 524327975 /nfs/dbraw/zinc/32/79/75/524327975.db2.gz KZASZQMIJKSXFD-QAPCUYQASA-N -1 0 417.483 3.273 50 0 HGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2oc1=O ZINC000252695056 525677086 /nfs/dbraw/zinc/67/70/86/525677086.db2.gz UIEDXWDNSUSTHH-JYJNAYRXSA-N -1 0 401.459 3.184 50 0 biogenic HGAARM O=C([O-])CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@@H]1O ZINC000043898774 527573180 /nfs/dbraw/zinc/57/31/80/527573180.db2.gz VJGGHXVGBSZVMZ-VJEQGQCQSA-N -1 0 424.921 3.195 50 0 in-vitro HGAARM COc1ccc(Br)cc1/C=C1/Oc2ccccc2N(CC(=O)[O-])C1=O ZINC000003029647 536633679 /nfs/dbraw/zinc/63/36/79/536633679.db2.gz BWKZFVWRWCFUCI-CXUHLZMHSA-N -1 0 404.216 3.309 50 0 HGAARM Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000667358 557046492 /nfs/dbraw/zinc/04/64/92/557046492.db2.gz GRCZPBSVGRPYCV-GOSISDBHSA-N -1 0 407.422 3.452 50 0 HGAARM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000000670731 557048843 /nfs/dbraw/zinc/04/88/43/557048843.db2.gz ILJYHPIKCHUKJS-UHFFFAOYSA-N -1 0 417.443 3.053 50 0 HGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(I)cc1 ZINC000000692822 557061156 /nfs/dbraw/zinc/06/11/56/557061156.db2.gz QTCUKXWWSAHPJW-UHFFFAOYSA-N -1 0 411.195 3.315 50 0 HGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000794191 557082398 /nfs/dbraw/zinc/08/23/98/557082398.db2.gz QYTZXQYIXFMOCW-MSOLQXFVSA-N -1 0 408.520 3.081 50 0 HGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000794190 557082541 /nfs/dbraw/zinc/08/25/41/557082541.db2.gz QYTZXQYIXFMOCW-ROUUACIJSA-N -1 0 408.520 3.081 50 0 HGAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000000921119 557119241 /nfs/dbraw/zinc/11/92/41/557119241.db2.gz DZIQEWMANOUYBJ-UHFFFAOYSA-N -1 0 412.471 3.155 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000001072289 557170234 /nfs/dbraw/zinc/17/02/34/557170234.db2.gz UKAMZQFEOSXHKZ-LBPRGKRZSA-N -1 0 403.232 3.139 50 0 HGAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000001121958 557191538 /nfs/dbraw/zinc/19/15/38/557191538.db2.gz HUQPUPONCOHCPK-UHFFFAOYSA-N -1 0 401.440 3.444 50 0 HGAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000001153649 557212547 /nfs/dbraw/zinc/21/25/47/557212547.db2.gz UOHLYMOJROODIK-UHFFFAOYSA-N -1 0 412.471 3.155 50 0 HGAARM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001441635 557264593 /nfs/dbraw/zinc/26/45/93/557264593.db2.gz DZNWJLRKOLMYFS-HXUWFJFHSA-N -1 0 409.467 3.155 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000002503355 557353069 /nfs/dbraw/zinc/35/30/69/557353069.db2.gz MSNQQXJNHWUXGF-IYZJKTGWSA-N -1 0 413.404 3.461 50 0 HGAARM COc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000002655734 557362691 /nfs/dbraw/zinc/36/26/91/557362691.db2.gz GTIRTRWMHRGQSY-UHFFFAOYSA-N -1 0 404.271 3.221 50 0 HGAARM COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000002841866 557401465 /nfs/dbraw/zinc/40/14/65/557401465.db2.gz DOUGLWLPVBRWPS-ROUUACIJSA-N -1 0 408.454 3.482 50 0 HGAARM COc1ccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)cc1OC ZINC000034766061 557462081 /nfs/dbraw/zinc/46/20/81/557462081.db2.gz HUALEGFMNXJPBG-CQSZACIVSA-N -1 0 408.458 3.071 50 0 HGAARM Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000003885609 557502503 /nfs/dbraw/zinc/50/25/03/557502503.db2.gz UJAWLUJTTDLGBN-UHFFFAOYSA-N -1 0 408.648 3.328 50 0 HGAARM CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)c2ccccc2C(=O)[O-])c1C ZINC000004363544 557547054 /nfs/dbraw/zinc/54/70/54/557547054.db2.gz VREQXLQKCLXXIV-UHFFFAOYSA-N -1 0 408.414 3.011 50 0 HGAARM C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000004742380 557591178 /nfs/dbraw/zinc/59/11/78/557591178.db2.gz XYFGEOOBCCXIQP-INIZCTEOSA-N -1 0 408.545 3.049 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004899424 557611231 /nfs/dbraw/zinc/61/12/31/557611231.db2.gz LFHIOOBWQJBUPB-VDGAXYAQSA-N -1 0 412.486 3.140 50 0 HGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)C1 ZINC000004994034 557622511 /nfs/dbraw/zinc/62/25/11/557622511.db2.gz ILIGCSVGXRKHMZ-UXHICEINSA-N -1 0 407.470 3.397 50 0 HGAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1ccccc1Cl ZINC000002783472 557758792 /nfs/dbraw/zinc/75/87/92/557758792.db2.gz YPSCIOLFCUPFBF-UHFFFAOYSA-N -1 0 401.875 3.451 50 0 HGAARM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000022688489 557779518 /nfs/dbraw/zinc/77/95/18/557779518.db2.gz FIDSUHGUFUXLNW-UHFFFAOYSA-N -1 0 400.909 3.128 50 0 HGAARM COc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)NC2=S)cc1 ZINC000008399624 557786554 /nfs/dbraw/zinc/78/65/54/557786554.db2.gz QSCLFMKCHOUROF-DHDCSXOGSA-N -1 0 418.858 3.074 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1 ZINC000022705515 557795747 /nfs/dbraw/zinc/79/57/47/557795747.db2.gz KHVZBASNPUXFRW-UHFFFAOYSA-N -1 0 423.454 3.020 50 0 HGAARM Cn1c2cc(S(=O)(=O)[N-]c3ccccc3C(=O)Cc3ccccc3)ccc2oc1=O ZINC000008783519 557808595 /nfs/dbraw/zinc/80/85/95/557808595.db2.gz RZPHWAMIFVVOKA-UHFFFAOYSA-N -1 0 422.462 3.358 50 0 HGAARM COc1ccccc1Cn1c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1C ZINC000012406727 558398287 /nfs/dbraw/zinc/39/82/87/558398287.db2.gz AGJJVSXDTBGJDL-UHFFFAOYSA-N -1 0 418.478 3.456 50 0 HGAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000020722137 558403456 /nfs/dbraw/zinc/40/34/56/558403456.db2.gz YCKBWNBSBKFLJL-UHFFFAOYSA-N -1 0 409.305 3.438 50 0 HGAARM COc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)c(OC)c2c(C)cc(=O)[nH]c12 ZINC000012444894 558413434 /nfs/dbraw/zinc/41/34/34/558413434.db2.gz DQFLSUVJSPEYEJ-UHFFFAOYSA-N -1 0 406.435 3.102 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(N3CCCC3=O)cc1)O[C@@H](C)C2 ZINC000021900850 558454831 /nfs/dbraw/zinc/45/48/31/558454831.db2.gz JIVCQFICONQERS-AWEZNQCLSA-N -1 0 416.499 3.336 50 0 HGAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000022077336 558462727 /nfs/dbraw/zinc/46/27/27/558462727.db2.gz KZWCBEZIMAETOI-BQYQJAHWSA-N -1 0 420.259 3.251 50 0 HGAARM COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000012806392 558473915 /nfs/dbraw/zinc/47/39/15/558473915.db2.gz IBVCOAYLSMTJCS-LJQANCHMSA-N -1 0 419.499 3.247 50 0 HGAARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H](C)O1 ZINC000023078224 558533484 /nfs/dbraw/zinc/53/34/84/558533484.db2.gz OPAGWOZMFNGUMQ-RYUDHWBXSA-N -1 0 414.936 3.452 50 0 HGAARM O=C([O-])c1cn([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)nn1 ZINC000400207954 558606423 /nfs/dbraw/zinc/60/64/23/558606423.db2.gz NMWJJDIMZCPSSJ-AWEZNQCLSA-N -1 0 404.426 3.172 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccsc2)c1 ZINC000024926547 558621041 /nfs/dbraw/zinc/62/10/41/558621041.db2.gz MJIQCILGVXXFPA-UHFFFAOYSA-N -1 0 418.496 3.444 50 0 HGAARM CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000026540562 558662712 /nfs/dbraw/zinc/66/27/12/558662712.db2.gz UWFDFPMXFUNTFS-UHFFFAOYSA-N -1 0 406.460 3.103 50 0 HGAARM Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000027645773 558677748 /nfs/dbraw/zinc/67/77/48/558677748.db2.gz GKPVZCNODNGHRO-UHFFFAOYSA-N -1 0 403.851 3.053 50 0 HGAARM Cc1ccc(-n2nc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c3c2CCC3)cc1 ZINC000029786257 558721092 /nfs/dbraw/zinc/72/10/92/558721092.db2.gz SICOXGUCJWFYPD-UHFFFAOYSA-N -1 0 419.510 3.240 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[O-] ZINC000015446384 558740253 /nfs/dbraw/zinc/74/02/53/558740253.db2.gz OSWNGAXIPREVLH-KRWDZBQOSA-N -1 0 406.479 3.403 50 0 HGAARM COC(=O)[C@]([N-]S(=O)(=O)c1ccccc1)(c1c[nH]c2ccccc21)C(F)(F)F ZINC000003103071 558749839 /nfs/dbraw/zinc/74/98/39/558749839.db2.gz FVZXGNIMLMYIQO-QGZVFWFLSA-N -1 0 412.389 3.077 50 0 HGAARM O=C([O-])c1cc(NC(=S)NC(=O)c2cncc(Br)c2)ccc1Cl ZINC000015856740 558757135 /nfs/dbraw/zinc/75/71/35/558757135.db2.gz NADHHEKDSYZLQN-UHFFFAOYSA-N -1 0 414.668 3.323 50 0 HGAARM COc1cccc(NC(=O)CSc2nc([O-])c(C)c(=O)n2-c2ccc(C)cc2)c1 ZINC000015990054 558765536 /nfs/dbraw/zinc/76/55/36/558765536.db2.gz JEORJMMLXJWXTR-UHFFFAOYSA-N -1 0 411.483 3.294 50 0 HGAARM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(C)C)cc2)cc(OC)c1OC ZINC000004580850 558766968 /nfs/dbraw/zinc/76/69/68/558766968.db2.gz JUSKVVUHAGXIJD-KRWDZBQOSA-N -1 0 417.458 3.445 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)s1 ZINC000000755061 558774252 /nfs/dbraw/zinc/77/42/52/558774252.db2.gz HLKPUSUAYXSQGA-UHFFFAOYSA-N -1 0 424.454 3.432 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000001083502 558775050 /nfs/dbraw/zinc/77/50/50/558775050.db2.gz ZMGHLLPWDMAKED-MOPGFXCFSA-N -1 0 414.483 3.401 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)[nH]n2)cc1 ZINC000032984985 558805357 /nfs/dbraw/zinc/80/53/57/558805357.db2.gz GDTNBRDRKJAHGC-UHFFFAOYSA-N -1 0 404.423 3.001 50 0 HGAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)n[nH]1 ZINC000032985025 558805583 /nfs/dbraw/zinc/80/55/83/558805583.db2.gz MBQSQDRZYSNMMN-UHFFFAOYSA-N -1 0 421.276 3.225 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000004593257 558831202 /nfs/dbraw/zinc/83/12/02/558831202.db2.gz NDJNLVLYOIVRCT-LJQANCHMSA-N -1 0 418.515 3.437 50 0 HGAARM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651259 558869534 /nfs/dbraw/zinc/86/95/34/558869534.db2.gz NGACVQIMNONRCX-ROUUACIJSA-N -1 0 417.458 3.423 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000033114711 558876489 /nfs/dbraw/zinc/87/64/89/558876489.db2.gz OTSFNRCOYSYLBI-JKSUJKDBSA-N -1 0 420.347 3.220 50 0 HGAARM COc1cc(CO)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000004689709 558899544 /nfs/dbraw/zinc/89/95/44/558899544.db2.gz FHCJOXWLFYYGCB-UHFFFAOYSA-N -1 0 414.195 3.069 50 0 HGAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071774473 558911497 /nfs/dbraw/zinc/91/14/97/558911497.db2.gz MZMSXACTJYGVEG-UHFFFAOYSA-N -1 0 417.483 3.388 50 0 HGAARM O=C(Cc1c[nH]c2ccccc12)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097138215 558996561 /nfs/dbraw/zinc/99/65/61/558996561.db2.gz DHDRBJMVMFOZTK-UHFFFAOYSA-N -1 0 423.476 3.298 50 0 HGAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000033298923 559048145 /nfs/dbraw/zinc/04/81/45/559048145.db2.gz OAEIJKOOZHKJGP-UHFFFAOYSA-N -1 0 418.468 3.169 50 0 HGAARM O=C([O-])c1cn(C[C@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nn1 ZINC000725240968 559067919 /nfs/dbraw/zinc/06/79/19/559067919.db2.gz OKVKXOOQPBVJCA-OAHLLOKOSA-N -1 0 418.453 3.390 50 0 HGAARM CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000079075855 559162306 /nfs/dbraw/zinc/16/23/06/559162306.db2.gz OZCZPFAKCXECHO-UHFFFAOYSA-N -1 0 405.350 3.309 50 0 HGAARM CCn1[nH]c(=O)c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(C)cc1 ZINC000100141770 559163769 /nfs/dbraw/zinc/16/37/69/559163769.db2.gz MDUDILKXVVHMGO-QQTULTPQSA-N -1 0 415.497 3.202 50 0 HGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000050534765 559187353 /nfs/dbraw/zinc/18/73/53/559187353.db2.gz PEJAZMKQASAHLZ-UHFFFAOYSA-N -1 0 406.529 3.356 50 0 HGAARM COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205972511 559197785 /nfs/dbraw/zinc/19/77/85/559197785.db2.gz GWWCYOBPSRJXEE-OAHLLOKOSA-N -1 0 409.829 3.297 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000004951643 559215839 /nfs/dbraw/zinc/21/58/39/559215839.db2.gz IXFGXIKUVJROBS-UHFFFAOYSA-N -1 0 400.504 3.244 50 0 HGAARM O=C([O-])CC1(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CCCCC1 ZINC000061721099 560537006 /nfs/dbraw/zinc/53/70/06/560537006.db2.gz WQXZYXZGAHXLDJ-UHFFFAOYSA-N -1 0 417.893 3.105 50 0 HGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CC1)CCC2 ZINC000005252375 560551684 /nfs/dbraw/zinc/55/16/84/560551684.db2.gz OFMOYLGBAFWETM-UHFFFAOYSA-N -1 0 404.463 3.324 50 0 HGAARM Cc1c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002104378 560558986 /nfs/dbraw/zinc/55/89/86/560558986.db2.gz GMCPAQUBAJWWSS-KSSFIOAISA-N -1 0 415.486 3.363 50 0 biogenic HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C ZINC000002726545 560587497 /nfs/dbraw/zinc/58/74/97/560587497.db2.gz BKEUUBJWPIQHHV-UHFFFAOYSA-N -1 0 423.541 3.362 50 0 HGAARM CCOc1c(O)ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)c1[N+](=O)[O-] ZINC000083292478 560691174 /nfs/dbraw/zinc/69/11/74/560691174.db2.gz LHLONWXFDBTBPS-GDNBJRDFSA-N -1 0 411.370 3.203 50 0 HGAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000017248715 560704982 /nfs/dbraw/zinc/70/49/82/560704982.db2.gz LFTAPUQGAOHXDL-UHFFFAOYSA-N -1 0 400.504 3.496 50 0 HGAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000006382660 560733855 /nfs/dbraw/zinc/73/38/55/560733855.db2.gz RIOJXLRNKUFPIM-ZIAGYGMSSA-N -1 0 408.907 3.390 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1C ZINC000101168419 560787529 /nfs/dbraw/zinc/78/75/29/560787529.db2.gz GUUNSHSFGBFERA-RTWAWAEBSA-N -1 0 419.485 3.359 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101311514 560791527 /nfs/dbraw/zinc/79/15/27/560791527.db2.gz TUAGTORCVWJZEF-SJORKVTESA-N -1 0 422.832 3.192 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccccc3F)c([O-])c3cccnc32)c1 ZINC000101722213 560798699 /nfs/dbraw/zinc/79/86/99/560798699.db2.gz QWBLMFOSYQGUFY-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM COc1ccccc1CNC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722653 560798934 /nfs/dbraw/zinc/79/89/34/560798934.db2.gz ZVVJSVGVSNPQQQ-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(C)c3)cnn21 ZINC000101835628 560803341 /nfs/dbraw/zinc/80/33/41/560803341.db2.gz QZLGGCFGSWOMLR-SFHVURJKSA-N -1 0 404.426 3.436 50 0 HGAARM CCCC(=O)N(Cc1ccc(Br)cc1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000101877991 560804212 /nfs/dbraw/zinc/80/42/12/560804212.db2.gz KAPADNCXLWUZBR-UHFFFAOYSA-N -1 0 418.295 3.130 50 0 HGAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c1 ZINC000013278718 560804850 /nfs/dbraw/zinc/80/48/50/560804850.db2.gz VKLGIENMZAJAKI-UHFFFAOYSA-N -1 0 404.227 3.264 50 0 HGAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000102478946 560811728 /nfs/dbraw/zinc/81/17/28/560811728.db2.gz NRMRWCVXFJXLPV-OALUTQOASA-N -1 0 401.426 3.452 50 0 HGAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(F)c3)cnn21 ZINC000102810803 560829379 /nfs/dbraw/zinc/82/93/79/560829379.db2.gz MMXRPTMZHRTURM-KRWDZBQOSA-N -1 0 408.389 3.267 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000102819498 560829507 /nfs/dbraw/zinc/82/95/07/560829507.db2.gz OTSFNRCOYSYLBI-HZPDHXFCSA-N -1 0 420.347 3.220 50 0 HGAARM Cc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)c1C ZINC000051316674 560856441 /nfs/dbraw/zinc/85/64/41/560856441.db2.gz GVWPEXUJXDUXIN-UHFFFAOYSA-N -1 0 405.483 3.456 50 0 HGAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000047328514 560886142 /nfs/dbraw/zinc/88/61/42/560886142.db2.gz PUDAUTWNXBQOGV-UHFFFAOYSA-N -1 0 403.773 3.135 50 0 HGAARM Cn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000046017364 568423729 /nfs/dbraw/zinc/42/37/29/568423729.db2.gz OJAKYEZBKJXHBZ-UHFFFAOYSA-N -1 0 405.320 3.225 50 0 HGAARM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000048302864 568437796 /nfs/dbraw/zinc/43/77/96/568437796.db2.gz LPQPWAWQZPDGHK-UHFFFAOYSA-N -1 0 410.451 3.466 50 0 HGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(O)c(OC)c2)CC(=O)N3)c1 ZINC000049543448 568451177 /nfs/dbraw/zinc/45/11/77/568451177.db2.gz MDRNZHAOVLSSKP-OAHLLOKOSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(N[C@H]3OC(=O)c4ccccc43)cc2)s1 ZINC000000796165 568482139 /nfs/dbraw/zinc/48/21/39/568482139.db2.gz XUCVWNRMJBVGME-INIZCTEOSA-N -1 0 416.484 3.182 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)[n-]c2=O)cc1 ZINC000012347797 568494293 /nfs/dbraw/zinc/49/42/93/568494293.db2.gz UXTVSXNWOSPBCP-UHFFFAOYSA-N -1 0 424.526 3.420 50 0 HGAARM Cc1nn(Cc2ccccc2)c(C)c1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000000822584 568498611 /nfs/dbraw/zinc/49/86/11/568498611.db2.gz PNOVCQSCGHUSRW-UHFFFAOYSA-N -1 0 403.891 3.320 50 0 HGAARM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(C[C@H]2CCCCO2)c1 ZINC000390828734 568591759 /nfs/dbraw/zinc/59/17/59/568591759.db2.gz TWHGSHQJBWNRQD-MRXNPFEDSA-N -1 0 403.426 3.413 50 0 HGAARM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000095463953 568622344 /nfs/dbraw/zinc/62/23/44/568622344.db2.gz ZTEPIOYFIDMFLO-MRXNPFEDSA-N -1 0 407.513 3.066 50 0 HGAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2cnc3ccccc3n2)C1 ZINC000225506124 568644391 /nfs/dbraw/zinc/64/43/91/568644391.db2.gz VFXAWUGEKSOCTJ-IBGZPJMESA-N -1 0 404.426 3.181 50 0 HGAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000021045915 568660155 /nfs/dbraw/zinc/66/01/55/568660155.db2.gz QXHRKTHXVPKZJG-LJQANCHMSA-N -1 0 412.486 3.333 50 0 HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096119622 568698799 /nfs/dbraw/zinc/69/87/99/568698799.db2.gz MTWSOQLWQMRGBS-UHFFFAOYSA-N -1 0 411.443 3.128 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000000849918 568711012 /nfs/dbraw/zinc/71/10/12/568711012.db2.gz RREDHICTOYVTIE-UBFBPUDLSA-N -1 0 409.441 3.318 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000000849917 568711032 /nfs/dbraw/zinc/71/10/32/568711032.db2.gz RREDHICTOYVTIE-LMGFAJPXSA-N -1 0 409.441 3.318 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(SC)c2)cc1 ZINC000096361147 568738992 /nfs/dbraw/zinc/73/89/92/568738992.db2.gz PSUFLLSBBDIATJ-UHFFFAOYSA-N -1 0 418.500 3.193 50 0 HGAARM CCOc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000096361190 568739118 /nfs/dbraw/zinc/73/91/18/568739118.db2.gz SRGHOZFETSWUQB-UHFFFAOYSA-N -1 0 404.423 3.001 50 0 HGAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)c2C)o1 ZINC000096379424 568741050 /nfs/dbraw/zinc/74/10/50/568741050.db2.gz NLKOVKPSXKQHEU-UHFFFAOYSA-N -1 0 406.464 3.062 50 0 HGAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022459062 568768099 /nfs/dbraw/zinc/76/80/99/568768099.db2.gz XBYQNPDQLZDCEJ-SFHVURJKSA-N -1 0 409.515 3.305 50 0 HGAARM CN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1 ZINC000022577369 568770025 /nfs/dbraw/zinc/77/00/25/568770025.db2.gz ADAJVMBHULSIGP-MRXNPFEDSA-N -1 0 413.478 3.232 50 0 HGAARM O=C(NC1CC1)c1c(=O)[nH]c2c(Br)cc(Br)cc2c1[O-] ZINC000299738167 568781318 /nfs/dbraw/zinc/78/13/18/568781318.db2.gz DLUPONFCPKACLH-UHFFFAOYSA-N -1 0 402.042 3.063 50 0 HGAARM Cc1nnc([N-]S(=O)(=O)c2cc(Br)ccc2Br)s1 ZINC000028248399 568783481 /nfs/dbraw/zinc/78/34/81/568783481.db2.gz ZEWQVSVDWLFIKB-UHFFFAOYSA-N -1 0 413.116 3.172 50 0 HGAARM Cc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@H]2CCCO2)c3=O)cc1 ZINC000002970854 568831745 /nfs/dbraw/zinc/83/17/45/568831745.db2.gz VBLWFMUMTDKCPC-QGZVFWFLSA-N -1 0 409.511 3.103 50 0 HGAARM COC(CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O)OC ZINC000003043826 568848397 /nfs/dbraw/zinc/84/83/97/568848397.db2.gz LXKOTHMYCREENO-UHFFFAOYSA-N -1 0 417.531 3.298 50 0 HGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(Cl)ccc1Cl ZINC000012560874 568858044 /nfs/dbraw/zinc/85/80/44/568858044.db2.gz UMHGCEBMAAHXMF-UHFFFAOYSA-N -1 0 421.327 3.235 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@H](C)C2 ZINC000012560916 568858394 /nfs/dbraw/zinc/85/83/94/568858394.db2.gz IHKNYGQNQLOQDZ-GFCCVEGCSA-N -1 0 420.487 3.177 50 0 HGAARM CN(C[C@@H](CC(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000003627415 568864804 /nfs/dbraw/zinc/86/48/04/568864804.db2.gz ZAYJNNROIJHMNP-CQSZACIVSA-N -1 0 412.305 3.328 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2c(Cl)cccc2-n2ccnc2)cc1 ZINC000004025632 568877950 /nfs/dbraw/zinc/87/79/50/568877950.db2.gz HJKBBXKKUWEQCW-UHFFFAOYSA-N -1 0 404.879 3.022 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(OC(F)F)cc1 ZINC000003480312 568908329 /nfs/dbraw/zinc/90/83/29/568908329.db2.gz VPMQWHJESLXVBF-UHFFFAOYSA-N -1 0 420.397 3.131 50 0 HGAARM CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000058306861 568910348 /nfs/dbraw/zinc/91/03/48/568910348.db2.gz IELSRIBGKKGILK-UHFFFAOYSA-N -1 0 404.469 3.368 50 0 HGAARM O=C([O-])[C@@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000004143971 568916169 /nfs/dbraw/zinc/91/61/69/568916169.db2.gz MMSQLYKMBQRQFM-SQWLQELKSA-N -1 0 411.460 3.125 50 0 HGAARM CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004000364 568932245 /nfs/dbraw/zinc/93/22/45/568932245.db2.gz OPHAWRYOHOYBLZ-RDJZCZTQSA-N -1 0 419.909 3.052 50 0 biogenic HGAARM CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000004029920 568934399 /nfs/dbraw/zinc/93/43/99/568934399.db2.gz MPLPGXPNFRRIQN-UGSOOPFHSA-N -1 0 401.459 3.055 50 0 biogenic HGAARM Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004037438 568935711 /nfs/dbraw/zinc/93/57/11/568935711.db2.gz DSAGYHKERFGOOJ-SZNDQCEHSA-N -1 0 421.449 3.300 50 0 biogenic HGAARM COc1ccc(Cc2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)cc1 ZINC000008391824 568998495 /nfs/dbraw/zinc/99/84/95/568998495.db2.gz DJJFBOSMWAWMNR-AWEZNQCLSA-N -1 0 400.485 3.140 50 0 HGAARM Cc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(C3CCCCC3)cc1)c2=O ZINC000015942086 569024191 /nfs/dbraw/zinc/02/41/91/569024191.db2.gz MLZSOPVPJXPDGU-UHFFFAOYSA-N -1 0 401.492 3.295 50 0 HGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cnn(CC)c2C)sc2c1CC[C@H](C)C2 ZINC000006229062 569033512 /nfs/dbraw/zinc/03/35/12/569033512.db2.gz GJEZSEAQDARFGE-NSHDSACASA-N -1 0 411.549 3.375 50 0 HGAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000035377933 569034472 /nfs/dbraw/zinc/03/44/72/569034472.db2.gz UTHPHOMRKLXLMN-UHFFFAOYSA-N -1 0 409.471 3.242 50 0 HGAARM Cc1cc(Br)c([O-])c(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000089568682 569070375 /nfs/dbraw/zinc/07/03/75/569070375.db2.gz IVOIKBJWEQTORY-UHFFFAOYSA-N -1 0 424.320 3.411 50 0 HGAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccs2)C1 ZINC000064820556 569102659 /nfs/dbraw/zinc/10/26/59/569102659.db2.gz QJZUTJDSSRBUCY-AWEZNQCLSA-N -1 0 402.472 3.478 50 0 HGAARM Cc1cc(C)cc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000064843267 569107083 /nfs/dbraw/zinc/10/70/83/569107083.db2.gz ISKQHCYRTFJNMS-UHFFFAOYSA-N -1 0 403.504 3.434 50 0 HGAARM C[C@H]1CCc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CCCc2ccccc2)C1 ZINC000006759008 569113099 /nfs/dbraw/zinc/11/30/99/569113099.db2.gz HHECKJMGACEUOZ-AWEZNQCLSA-N -1 0 412.511 3.067 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c(OC)c1 ZINC000006866398 569159156 /nfs/dbraw/zinc/15/91/56/569159156.db2.gz STCVUJHYLANDBW-CYBMUJFWSA-N -1 0 416.499 3.192 50 0 HGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2ccno2)c1 ZINC000006887621 569170726 /nfs/dbraw/zinc/17/07/26/569170726.db2.gz AHYGZAHAWUKJIQ-UHFFFAOYSA-N -1 0 403.460 3.274 50 0 HGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cc(OCC)ccc1OCC ZINC000006887612 569170751 /nfs/dbraw/zinc/17/07/51/569170751.db2.gz HBYRKSVIDRBPEH-UHFFFAOYSA-N -1 0 424.519 3.417 50 0 HGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000007002825 569198903 /nfs/dbraw/zinc/19/89/03/569198903.db2.gz UZPIGBBURACBNW-UHFFFAOYSA-N -1 0 400.884 3.281 50 0 HGAARM O=C(NCc1cccc(Cl)c1)c1c([O-])c2cnn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000065249899 569205920 /nfs/dbraw/zinc/20/59/20/569205920.db2.gz WOHOUVKYLOJFJV-UHFFFAOYSA-N -1 0 412.808 3.142 50 0 HGAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2cnn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000065249900 569205937 /nfs/dbraw/zinc/20/59/37/569205937.db2.gz VIMSBQQRDSPBMC-UHFFFAOYSA-N -1 0 412.808 3.142 50 0 HGAARM COc1ccccc1CNC(=O)c1c([O-])c2cnn(-c3ccc(Cl)cc3)c2[nH]c1=O ZINC000065249907 569205950 /nfs/dbraw/zinc/20/59/50/569205950.db2.gz UAPVIRNJUBVCLB-UHFFFAOYSA-N -1 0 424.844 3.011 50 0 HGAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)NCc2cccc(Cl)c2)c3[O-])c1 ZINC000065249925 569205975 /nfs/dbraw/zinc/20/59/75/569205975.db2.gz FNUMRFQVMILTDW-UHFFFAOYSA-N -1 0 408.845 3.311 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(C)cc4)c3[nH]c2=O)cc1F ZINC000065249995 569206013 /nfs/dbraw/zinc/20/60/13/569206013.db2.gz XHTOMYOWMVWNBL-UHFFFAOYSA-N -1 0 408.389 3.128 50 0 HGAARM COc1ccc(-c2noc(-c3c([O-])c4cnn(Cc5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256924 569208529 /nfs/dbraw/zinc/20/85/29/569208529.db2.gz WBCPPROIXBDLSH-UHFFFAOYSA-N -1 0 415.409 3.204 50 0 HGAARM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000170614205 569247031 /nfs/dbraw/zinc/24/70/31/569247031.db2.gz GFVRHDJFHPVLHE-SFHVURJKSA-N -1 0 400.406 3.385 50 0 HGAARM Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000170618570 569247907 /nfs/dbraw/zinc/24/79/07/569247907.db2.gz VMMMRTCUKDRZRL-SJKOYZFVSA-N -1 0 419.457 3.450 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002156001 569290348 /nfs/dbraw/zinc/29/03/48/569290348.db2.gz FYRDRWHCLLNEML-CFZJUORYSA-N -1 0 403.475 3.437 50 0 biogenic HGAARM COc1cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2cc1Cl ZINC000252695249 569320283 /nfs/dbraw/zinc/32/02/83/569320283.db2.gz XBJJVDDFZCNLAZ-JOCQHMNTSA-N -1 0 421.877 3.313 50 0 biogenic HGAARM O=S(=O)([N-]c1ncnn1-c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000328593946 569415677 /nfs/dbraw/zinc/41/56/77/569415677.db2.gz CNOXMCOYGDBXPG-UHFFFAOYSA-N -1 0 402.785 3.162 50 0 HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000038677990 571061006 /nfs/dbraw/zinc/06/10/06/571061006.db2.gz NRKBNUDGAIZDIQ-UHFFFAOYSA-N -1 0 403.485 3.357 50 0 HGAARM O=C(NCc1ccc2c(c1)OCO2)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040142811 571193496 /nfs/dbraw/zinc/19/34/96/571193496.db2.gz OIBATTHGMSBVPO-UHFFFAOYSA-N -1 0 416.480 3.208 50 0 HGAARM O=S(=O)(Cc1cc2c(cc1Br)OCCO2)c1nc2ccccc2[n-]1 ZINC000040152116 571199711 /nfs/dbraw/zinc/19/97/11/571199711.db2.gz FDGDUQKREFMHAJ-UHFFFAOYSA-N -1 0 409.261 3.071 50 0 HGAARM COc1ccccc1CNC(=O)c1cncc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009151999 571230794 /nfs/dbraw/zinc/23/07/94/571230794.db2.gz IZGIHMLJQNJCCD-UHFFFAOYSA-N -1 0 411.483 3.129 50 0 HGAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1ccc(Br)cc1 ZINC000009306624 571246737 /nfs/dbraw/zinc/24/67/37/571246737.db2.gz AGGQAROZLVSHLO-UHFFFAOYSA-N -1 0 417.288 3.325 50 0 HGAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009468198 571261329 /nfs/dbraw/zinc/26/13/29/571261329.db2.gz LLYYWMQUPNHBIO-UHFFFAOYSA-N -1 0 413.499 3.045 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)on1 ZINC000009637598 571275240 /nfs/dbraw/zinc/27/52/40/571275240.db2.gz YODRHVLGLUBXDR-UHFFFAOYSA-N -1 0 420.418 3.467 50 0 HGAARM CC1CCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CC1 ZINC000009828492 571286774 /nfs/dbraw/zinc/28/67/74/571286774.db2.gz LWMNWOUOYFPYTA-UHFFFAOYSA-N -1 0 413.952 3.398 50 0 HGAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)ccc1Cl ZINC000010518234 571304106 /nfs/dbraw/zinc/30/41/06/571304106.db2.gz HRQWCZNCDCXRQL-UHFFFAOYSA-N -1 0 421.327 3.235 50 0 HGAARM COc1ccc(CCC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000021883076 571315133 /nfs/dbraw/zinc/31/51/33/571315133.db2.gz VZLJWOUJCPDNJC-UHFFFAOYSA-N -1 0 405.501 3.248 50 0 HGAARM O=C([O-])[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000428070059 939148505 /nfs/dbraw/zinc/14/85/05/939148505.db2.gz NBTXPSLFGCQBDH-LJQANCHMSA-N -1 0 410.451 3.043 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000001017450 132235116 /nfs/dbraw/zinc/23/51/16/132235116.db2.gz MQADWDYJBMZGER-UHFFFAOYSA-N -1 0 407.923 3.177 50 0 HGAARM O=C([O-])CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000002196619 132249311 /nfs/dbraw/zinc/24/93/11/132249311.db2.gz CATNHJGBIKKLPW-UHFFFAOYSA-N -1 0 416.528 3.132 50 0 HGAARM Cc1cc(C)nc(N=C2NC(=O)C[C@@H](C(=O)[O-])N2c2ccc(Cl)cc2Cl)n1 ZINC000002841408 132258342 /nfs/dbraw/zinc/25/83/42/132258342.db2.gz XDHRFERYYONUNR-ZDUSSCGKSA-N -1 0 408.245 3.058 50 0 HGAARM CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc2o1 ZINC000032595222 519105356 /nfs/dbraw/zinc/10/53/56/519105356.db2.gz LUIATKOCEYPACO-UHFFFAOYSA-N -1 0 404.444 3.390 50 0 HGAARM COCc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000042792560 523125909 /nfs/dbraw/zinc/12/59/09/523125909.db2.gz TYYPCAKQHKEEAO-UHFFFAOYSA-N -1 0 400.250 3.095 50 0 HGAARM CN1CC(=O)N(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)c2)C1=O ZINC000032935311 523745537 /nfs/dbraw/zinc/74/55/37/523745537.db2.gz RFEBINOTKROXNO-UHFFFAOYSA-N -1 0 414.270 3.193 50 0 HGAARM O=C(c1csc(S(=O)(=O)[N-]c2cccc(-c3ccno3)c2)c1)N1CCCC1 ZINC000045961589 526907684 /nfs/dbraw/zinc/90/76/84/526907684.db2.gz OLANKBQWFNWQGA-UHFFFAOYSA-N -1 0 403.485 3.440 50 0 HGAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)s2)n[nH]1 ZINC000020574767 527485838 /nfs/dbraw/zinc/48/58/38/527485838.db2.gz YVFVPRHRFKMILP-UHFFFAOYSA-N -1 0 412.290 3.062 50 0 HGAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000032587825 527618629 /nfs/dbraw/zinc/61/86/29/527618629.db2.gz ZTEAJQQHNSGJHU-UHFFFAOYSA-N -1 0 420.668 3.367 50 0 HGAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000006419629 535227573 /nfs/dbraw/zinc/22/75/73/535227573.db2.gz RZHOYCLDNNYOFW-CZIZESTLSA-N -1 0 423.469 3.049 50 0 HGAARM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc(C(=O)OC)c1 ZINC000000634181 557028814 /nfs/dbraw/zinc/02/88/14/557028814.db2.gz SRTGYSASTXMRKL-UHFFFAOYSA-N -1 0 418.254 3.367 50 0 HGAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000000826764 557094463 /nfs/dbraw/zinc/09/44/63/557094463.db2.gz PWXSTSCVCIUSKZ-UHFFFAOYSA-N -1 0 410.879 3.321 50 0 HGAARM O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000858378 557103621 /nfs/dbraw/zinc/10/36/21/557103621.db2.gz NPTFFSIJWXGRRJ-UHFFFAOYSA-N -1 0 407.448 3.101 50 0 HGAARM CCOC(=O)c1c(C)nn(-c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)c1C ZINC000001043605 557154877 /nfs/dbraw/zinc/15/48/77/557154877.db2.gz JYGSWGVDGWMAAP-UHFFFAOYSA-N -1 0 418.475 3.071 50 0 HGAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000001125059 557194730 /nfs/dbraw/zinc/19/47/30/557194730.db2.gz WNKDVFXXMCFURB-UHFFFAOYSA-N -1 0 421.430 3.014 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000001446327 557266361 /nfs/dbraw/zinc/26/63/61/557266361.db2.gz ZFLJYPCTGLQGNP-CHWSQXEVSA-N -1 0 403.328 3.349 50 0 HGAARM CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000001926270 557296775 /nfs/dbraw/zinc/29/67/75/557296775.db2.gz ODFBBJJETZDCAX-UHFFFAOYSA-N -1 0 415.423 3.384 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccc(I)cc1 ZINC000002385881 557342837 /nfs/dbraw/zinc/34/28/37/557342837.db2.gz QEKSTALXWONXOD-GFCCVEGCSA-N -1 0 405.232 3.202 50 0 HGAARM O=C([O-])CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002826565 557397258 /nfs/dbraw/zinc/39/72/58/557397258.db2.gz KVPIJDLBIVXMDU-UHFFFAOYSA-N -1 0 418.696 3.378 50 0 HGAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)c1 ZINC000034765118 557461935 /nfs/dbraw/zinc/46/19/35/557461935.db2.gz BDMDTTQVPVLQGV-HNNXBMFYSA-N -1 0 407.474 3.066 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)no1 ZINC000004809131 557599708 /nfs/dbraw/zinc/59/97/08/557599708.db2.gz TVSSEFPOVPCTFB-OAHLLOKOSA-N -1 0 415.471 3.498 50 0 HGAARM CC[C@H](C)[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000005103134 557636564 /nfs/dbraw/zinc/63/65/64/557636564.db2.gz ATSMWYLJBYQVCG-KUBWHPNOSA-N -1 0 410.470 3.082 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000005103128 557636631 /nfs/dbraw/zinc/63/66/31/557636631.db2.gz ATSMWYLJBYQVCG-ROWXZBGYSA-N -1 0 410.470 3.082 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3Cl)cc2)nc(C)n1 ZINC000002736328 557751267 /nfs/dbraw/zinc/75/12/67/557751267.db2.gz IXDSJVISEGPVJC-UHFFFAOYSA-N -1 0 417.878 3.195 50 0 HGAARM Cc1c(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3Cl)n2)cnn1C ZINC000002792552 557764626 /nfs/dbraw/zinc/76/46/26/557764626.db2.gz HRCRTYDNMHHWEM-UHFFFAOYSA-N -1 0 400.291 3.081 50 0 HGAARM O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1O ZINC000008908831 557813622 /nfs/dbraw/zinc/81/36/22/557813622.db2.gz GPSQZSNQBMIBJT-UHFFFAOYSA-N -1 0 402.362 3.143 50 0 HGAARM O=C([O-])COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000009260714 557833178 /nfs/dbraw/zinc/83/31/78/557833178.db2.gz DLHNHOOLTBXGFU-NTEUORMPSA-N -1 0 417.215 3.010 50 0 HGAARM CCc1nc2sc([C@H](c3cccc(Br)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854193 557839321 /nfs/dbraw/zinc/83/93/21/557839321.db2.gz PDYPEMKHAYSSGH-AWEZNQCLSA-N -1 0 423.336 3.243 50 0 HGAARM COC(=O)c1c(C)c(C)sc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019863013 558298597 /nfs/dbraw/zinc/29/85/97/558298597.db2.gz ZGRNSGLNFMNIKN-CYBMUJFWSA-N -1 0 419.480 3.274 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000021399538 558437962 /nfs/dbraw/zinc/43/79/62/558437962.db2.gz UJIFLCXZDDJURS-UHFFFAOYSA-N -1 0 400.456 3.412 50 0 HGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000004356097 558443609 /nfs/dbraw/zinc/44/36/09/558443609.db2.gz TWALLQULUUFISH-ZDLGFXPLSA-N -1 0 410.380 3.257 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1nc2ccccc2[nH]1 ZINC000013720480 558581657 /nfs/dbraw/zinc/58/16/57/558581657.db2.gz YLMHLYIGYJCQJN-UHFFFAOYSA-N -1 0 413.484 3.001 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000024153309 558590797 /nfs/dbraw/zinc/59/07/97/558590797.db2.gz JYGQKLVYNKHKOQ-UHFFFAOYSA-N -1 0 414.439 3.283 50 0 HGAARM COC(=O)C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Br)cc1C ZINC000013943079 558605201 /nfs/dbraw/zinc/60/52/01/558605201.db2.gz NQRZSTDRGCPYEI-INIZCTEOSA-N -1 0 420.259 3.490 50 0 HGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2F)C[C@H]1C(=O)[O-] ZINC000014632524 558662486 /nfs/dbraw/zinc/66/24/86/558662486.db2.gz YTUMWIOKROJEBS-JQWIXIFHSA-N -1 0 404.232 3.430 50 0 HGAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 ZINC000026532572 558662556 /nfs/dbraw/zinc/66/25/56/558662556.db2.gz HTVZCKDNQIYGCV-CYBMUJFWSA-N -1 0 418.906 3.365 50 0 HGAARM CC[C@H]1CCCCN1C(=O)CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1 ZINC000015107355 558723218 /nfs/dbraw/zinc/72/32/18/558723218.db2.gz SRHJARVRFLONLG-HNNXBMFYSA-N -1 0 415.494 3.107 50 0 HGAARM Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)N(Cc2ccccc2)c2ccccc2)n1 ZINC000000754132 558774159 /nfs/dbraw/zinc/77/41/59/558774159.db2.gz JZMDAQHHYHQWKB-UHFFFAOYSA-N -1 0 411.487 3.167 50 0 HGAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(OC)cc2)n(-c2ccccc2)c1=O ZINC000016513461 558795031 /nfs/dbraw/zinc/79/50/31/558795031.db2.gz RMMQBNHGMVKAOW-UHFFFAOYSA-N -1 0 411.483 3.240 50 0 HGAARM CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)c([O-])c(Br)c1 ZINC000016682517 558799497 /nfs/dbraw/zinc/79/94/97/558799497.db2.gz COGMGUOOBZKMNM-NSHDSACASA-N -1 0 405.701 3.164 50 0 HGAARM CC(C)CNC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000016995844 558811314 /nfs/dbraw/zinc/81/13/14/558811314.db2.gz DQAGFLCABRNTEK-UHFFFAOYSA-N -1 0 418.085 3.145 50 0 HGAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000013523618 558836021 /nfs/dbraw/zinc/83/60/21/558836021.db2.gz MOFBHNLIXPLLJY-STIKNRRDSA-N -1 0 410.470 3.082 50 0 biogenic HGAARM O=C([O-])[C@@H]1CC[C@H](c2nc3cc(F)ccc3c3nc(=O)c(-c4ccccc4)nn32)C1 ZINC000170620124 558881362 /nfs/dbraw/zinc/88/13/62/558881362.db2.gz CTTAXRWDMSSSIV-UONOGXRCSA-N -1 0 404.401 3.412 50 0 HGAARM O=C([O-])[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)c1ccccc1 ZINC000071333912 558896988 /nfs/dbraw/zinc/89/69/88/558896988.db2.gz HHWVUONLFLPCLP-QHCPKHFHSA-N -1 0 413.433 3.006 50 0 HGAARM CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCOCC2)cc1 ZINC000033254063 558922475 /nfs/dbraw/zinc/92/24/75/558922475.db2.gz QOAHIQBRJOJGPL-UHFFFAOYSA-N -1 0 418.515 3.221 50 0 HGAARM Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)ccc1Br ZINC000058377311 558922600 /nfs/dbraw/zinc/92/26/00/558922600.db2.gz PJCMFQJHXPEORL-UHFFFAOYSA-N -1 0 414.277 3.330 50 0 HGAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)noc2C)c(Br)c1 ZINC000058377338 558922742 /nfs/dbraw/zinc/92/27/42/558922742.db2.gz ADNODMSQQHSVHR-UHFFFAOYSA-N -1 0 403.254 3.031 50 0 HGAARM O=C(CSc1ccccc1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1 ZINC000097112274 558995578 /nfs/dbraw/zinc/99/55/78/558995578.db2.gz OUAGMEXCQXKJAA-UHFFFAOYSA-N -1 0 416.506 3.367 50 0 HGAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)n1 ZINC000023126520 559014341 /nfs/dbraw/zinc/01/43/41/559014341.db2.gz JQTMNOFDAHXYPY-SJORKVTESA-N -1 0 422.832 3.192 50 0 HGAARM Cc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023158140 559022642 /nfs/dbraw/zinc/02/26/42/559022642.db2.gz QFZYHUIMUQVDLH-QGZVFWFLSA-N -1 0 413.478 3.449 50 0 HGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nnc(-c3ccccc3)n2n1 ZINC000033277240 559040182 /nfs/dbraw/zinc/04/01/82/559040182.db2.gz XODZVNZVTNDTHY-UHFFFAOYSA-N -1 0 415.862 3.254 50 0 HGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(I)cc2)cc1 ZINC000004776234 559059606 /nfs/dbraw/zinc/05/96/06/559059606.db2.gz TUCCGNUNJPNLCP-UHFFFAOYSA-N -1 0 400.237 3.256 50 0 HGAARM CCCC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC000096032218 559089861 /nfs/dbraw/zinc/08/98/61/559089861.db2.gz UJRWOTKNFKYDQM-VLQCVTHLSA-N -1 0 414.546 3.189 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCc4ccc(C)cc4)c3=O)c2c1 ZINC000004951626 559215848 /nfs/dbraw/zinc/21/58/48/559215848.db2.gz VZIBXBWSSBVMHU-UHFFFAOYSA-N -1 0 408.483 3.174 50 0 HGAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)CCCC2 ZINC000005052096 559237108 /nfs/dbraw/zinc/23/71/08/559237108.db2.gz VLDGTYUPQAZPLE-UHFFFAOYSA-N -1 0 408.501 3.173 50 0 HGAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000005153971 559254303 /nfs/dbraw/zinc/25/43/03/559254303.db2.gz UFSRALLCAUGIDN-CYBMUJFWSA-N -1 0 414.483 3.060 50 0 HGAARM Cc1oc2cc(OCC(=O)NCC(=O)[O-])ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000011866042 559264031 /nfs/dbraw/zinc/26/40/31/559264031.db2.gz OXQAJMMPNDZPOH-UHFFFAOYSA-N -1 0 401.802 3.001 50 0 HGAARM O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238901129 559271683 /nfs/dbraw/zinc/27/16/83/559271683.db2.gz LDADPGRJTCKDRY-SHTZXODSSA-N -1 0 413.470 3.058 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238937468 559271697 /nfs/dbraw/zinc/27/16/97/559271697.db2.gz VRZNREAVGVERFB-BFYDXBDKSA-N -1 0 415.486 3.438 50 0 biogenic HGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2=O)c(OC)c1 ZINC000005329914 560565584 /nfs/dbraw/zinc/56/55/84/560565584.db2.gz PLIPOLCTUBLEEK-UHFFFAOYSA-N -1 0 404.488 3.330 50 0 HGAARM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])(c2ccccc2)CC1 ZINC000005420039 560584819 /nfs/dbraw/zinc/58/48/19/560584819.db2.gz QXJKIMJCUJGFTN-KRWDZBQOSA-N -1 0 402.491 3.031 50 0 HGAARM COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc(OC)c1OC ZINC000005441509 560587664 /nfs/dbraw/zinc/58/76/64/560587664.db2.gz USOIXHQTIQTPPJ-QGZVFWFLSA-N -1 0 405.472 3.347 50 0 biogenic HGAARM COc1ccc(NC(=O)c2csc([N-]S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000011693252 560773576 /nfs/dbraw/zinc/77/35/76/560773576.db2.gz KAYGOYQGDXDKSW-UHFFFAOYSA-N -1 0 419.484 3.213 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3cccc(OC)c3)cs2)cc1 ZINC000011693251 560773590 /nfs/dbraw/zinc/77/35/90/560773590.db2.gz AMTKBDCDGFUWFX-UHFFFAOYSA-N -1 0 419.484 3.213 50 0 HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2csc3nc(C)cc(=O)n23)cc1 ZINC000011696398 560773876 /nfs/dbraw/zinc/77/38/76/560773876.db2.gz MEJRLUPLSQEYTL-UHFFFAOYSA-N -1 0 416.484 3.137 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168458 560787540 /nfs/dbraw/zinc/78/75/40/560787540.db2.gz LNSJSJPJXKGNAU-PMACEKPBSA-N -1 0 405.458 3.050 50 0 HGAARM COc1cc(C=CC(O)=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1O ZINC000101367270 560792846 /nfs/dbraw/zinc/79/28/46/560792846.db2.gz ONKSQDOZSQUXRP-MRASAHJLSA-N -1 0 414.801 3.163 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCc3ccccc3F)c([O-])c3cccnc32)c1 ZINC000101722512 560798912 /nfs/dbraw/zinc/79/89/12/560798912.db2.gz XUNUXWXGQKEQCW-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(C)cc2)cc1 ZINC000101836416 560803698 /nfs/dbraw/zinc/80/36/98/560803698.db2.gz PXSSXJJDXOUHDK-LJQANCHMSA-N -1 0 404.426 3.436 50 0 HGAARM O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccccc1Cl ZINC000051316707 560856538 /nfs/dbraw/zinc/85/65/38/560856538.db2.gz WUYHIPKUFOOGBN-UHFFFAOYSA-N -1 0 411.874 3.493 50 0 HGAARM CCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c1=O ZINC000005737689 560861636 /nfs/dbraw/zinc/86/16/36/560861636.db2.gz HNSFHUZWXRIMJT-UHFFFAOYSA-N -1 0 410.470 3.454 50 0 HGAARM Cc1cc(C)n(Cc2ccc(C(=O)[N-]n3c(C)nc4sc5c(c4c3=O)CCC5)o2)n1 ZINC000020617485 560885912 /nfs/dbraw/zinc/88/59/12/560885912.db2.gz LBWCIRGXPHQNTG-UHFFFAOYSA-N -1 0 423.498 3.094 50 0 HGAARM CCOc1ccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000049003331 568446446 /nfs/dbraw/zinc/44/64/46/568446446.db2.gz UFXUZDOSXMQVGD-UHFFFAOYSA-N -1 0 414.487 3.478 50 0 HGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NC[C@H](C)c1ccccc1 ZINC000049003422 568446466 /nfs/dbraw/zinc/44/64/66/568446466.db2.gz DYGZDVIQBAXKMK-HNNXBMFYSA-N -1 0 412.515 3.361 50 0 HGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000049003343 568446470 /nfs/dbraw/zinc/44/64/70/568446470.db2.gz RXOBBTKWVSXCAI-UHFFFAOYSA-N -1 0 406.414 3.358 50 0 HGAARM COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cs2)cc1OC ZINC000020717834 568457878 /nfs/dbraw/zinc/45/78/78/568457878.db2.gz HNCIVIJKXGXEGA-LJQANCHMSA-N -1 0 412.467 3.312 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCc4ccco4)c3=O)c2c1 ZINC000020330478 568599280 /nfs/dbraw/zinc/59/92/80/568599280.db2.gz UUVPQLRXKCQMPF-UHFFFAOYSA-N -1 0 412.471 3.239 50 0 HGAARM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000095424043 568607638 /nfs/dbraw/zinc/60/76/38/568607638.db2.gz JALXXUQXGVIDDB-QGZVFWFLSA-N -1 0 415.852 3.458 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)s1 ZINC000095453619 568615998 /nfs/dbraw/zinc/61/59/98/568615998.db2.gz FYVWRHQMUGDYRA-UHFFFAOYSA-N -1 0 400.682 3.456 50 0 HGAARM C[S@](=O)Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000095463867 568622153 /nfs/dbraw/zinc/62/21/53/568622153.db2.gz MITTVKOSUVYJSK-IVCQMTBJSA-N -1 0 424.316 3.273 50 0 HGAARM CC(C)C(=O)Nc1nc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)s2)cs1 ZINC000095463974 568622322 /nfs/dbraw/zinc/62/23/22/568622322.db2.gz XVKVFYMTJWEJIA-JTQLQIEISA-N -1 0 415.924 3.327 50 0 HGAARM CC(C)OC(=O)c1c([N-]S(=O)(=O)c2ncn(C)c2Cl)sc2c1CCCC2 ZINC000095466350 568624070 /nfs/dbraw/zinc/62/40/70/568624070.db2.gz YJHANJJFDSEJEU-UHFFFAOYSA-N -1 0 417.940 3.380 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cnc4ccccc4n3)C2)cc1 ZINC000225507201 568644425 /nfs/dbraw/zinc/64/44/25/568644425.db2.gz MIWORZBLTHZGQE-HXUWFJFHSA-N -1 0 404.426 3.181 50 0 HGAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1c(C)nc2sc(C)cn2c1=O ZINC000020921751 568651019 /nfs/dbraw/zinc/65/10/19/568651019.db2.gz YNZYQXOGAPCWOA-UHFFFAOYSA-N -1 0 413.908 3.144 50 0 HGAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1cc(F)ccc1F ZINC000020981917 568654551 /nfs/dbraw/zinc/65/45/51/568654551.db2.gz NAWQCOMXXODWJH-UHFFFAOYSA-N -1 0 404.394 3.324 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000096361023 568738890 /nfs/dbraw/zinc/73/88/90/568738890.db2.gz CHSYBNXNXRXXRT-UHFFFAOYSA-N -1 0 414.487 3.397 50 0 HGAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000096361066 568738986 /nfs/dbraw/zinc/73/89/86/568738986.db2.gz NHSLMMWIGREBNV-UHFFFAOYSA-N -1 0 406.851 3.125 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000096361165 568739148 /nfs/dbraw/zinc/73/91/48/568739148.db2.gz BRJMUBLQNKNLSZ-UHFFFAOYSA-N -1 0 420.878 3.433 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(CC)c2)cc1 ZINC000096361166 568739195 /nfs/dbraw/zinc/73/91/95/568739195.db2.gz RPJMSILVNVSQPU-UHFFFAOYSA-N -1 0 414.487 3.424 50 0 HGAARM Cc1cc(=O)n2nc(CN(C(=O)c3ccccc3F)c3ccc(Cl)cc3)[n-]c2n1 ZINC000021796154 568753655 /nfs/dbraw/zinc/75/36/55/568753655.db2.gz SPJSGOUGFLJLDY-UHFFFAOYSA-N -1 0 411.824 3.366 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000002620531 568787624 /nfs/dbraw/zinc/78/76/24/568787624.db2.gz NTJZNEDQLLHJDV-UHFFFAOYSA-N -1 0 424.269 3.232 50 0 HGAARM CSCC[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002949444 568820497 /nfs/dbraw/zinc/82/04/97/568820497.db2.gz JZNHBMVRHOSNRJ-XFNCEPBJSA-N -1 0 422.890 3.026 50 0 HGAARM CSCC[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002949448 568820516 /nfs/dbraw/zinc/82/05/16/568820516.db2.gz JZNHBMVRHOSNRJ-ADVGAGMGSA-N -1 0 422.890 3.026 50 0 HGAARM Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2OC(F)F)[n-]c1=O ZINC000006017234 568835382 /nfs/dbraw/zinc/83/53/82/568835382.db2.gz YQHJMTAOPDFXID-UHFFFAOYSA-N -1 0 419.413 3.159 50 0 HGAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000012557276 568856353 /nfs/dbraw/zinc/85/63/53/568856353.db2.gz ZWNNZRLQPXCUEV-LLVKDONJSA-N -1 0 400.909 3.111 50 0 HGAARM O=C(NCc1c(F)cccc1F)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628105 568881996 /nfs/dbraw/zinc/88/19/96/568881996.db2.gz WHSJIEAJDRIMEA-UHFFFAOYSA-N -1 0 409.439 3.152 50 0 HGAARM COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])c2ccccc2oc1=O ZINC000217646249 568901756 /nfs/dbraw/zinc/90/17/56/568901756.db2.gz FZJLVDGYXYRKEV-HNNXBMFYSA-N -1 0 421.405 3.044 50 0 biogenic HGAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ncccc2O[C@@H](C)c2ccccc2)c1C ZINC000083836741 568918003 /nfs/dbraw/zinc/91/80/03/568918003.db2.gz MSVNMDZNOSAWSI-INIZCTEOSA-N -1 0 400.504 3.278 50 0 HGAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@H]2CCCO2)c3=O)cc1 ZINC000003631933 568921437 /nfs/dbraw/zinc/92/14/37/568921437.db2.gz MTEBXKXBBPJNPU-MRXNPFEDSA-N -1 0 411.483 3.499 50 0 HGAARM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(F)ccc3OCC(F)(F)F)ccc2N1 ZINC000012740992 568929016 /nfs/dbraw/zinc/92/90/16/568929016.db2.gz VUWAWJYMNDZPGU-UHFFFAOYSA-N -1 0 418.368 3.452 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(OC)c1 ZINC000015730283 568981009 /nfs/dbraw/zinc/98/10/09/568981009.db2.gz WFEWIXWHZRWFFT-NSHDSACASA-N -1 0 408.501 3.327 50 0 HGAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)CCC(=O)[O-] ZINC000008429660 569002809 /nfs/dbraw/zinc/00/28/09/569002809.db2.gz FWOJCKROAOKUGU-UHFFFAOYSA-N -1 0 421.453 3.134 50 0 HGAARM CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004535739 569012522 /nfs/dbraw/zinc/01/25/22/569012522.db2.gz ARWIWKBRNYMFJM-LSTHTHJFSA-N -1 0 412.486 3.140 50 0 HGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)c1 ZINC000015862623 569015953 /nfs/dbraw/zinc/01/59/53/569015953.db2.gz GALYVDIGMGVRLS-UHFFFAOYSA-N -1 0 413.480 3.221 50 0 HGAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCC(=O)[O-])OC(C)(C)CC3 ZINC000012900505 569020710 /nfs/dbraw/zinc/02/07/10/569020710.db2.gz UBAKLUWDBBFINB-UHFFFAOYSA-N -1 0 401.459 3.119 50 0 biogenic HGAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)cnc1N1CCCCCC1 ZINC000035397441 569034854 /nfs/dbraw/zinc/03/48/54/569034854.db2.gz VDLNYVKYMFLCOB-UHFFFAOYSA-N -1 0 411.430 3.239 50 0 HGAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)c(C)s2)no1 ZINC000035539227 569043596 /nfs/dbraw/zinc/04/35/96/569043596.db2.gz MAOSTPOECXAPLN-UHFFFAOYSA-N -1 0 409.489 3.487 50 0 HGAARM O=C(Nc1ccccc1I)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000006383134 569046231 /nfs/dbraw/zinc/04/62/31/569046231.db2.gz PVSIXLTUZSQNEI-UHFFFAOYSA-N -1 0 406.179 3.091 50 0 HGAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1I ZINC000089540463 569070061 /nfs/dbraw/zinc/07/00/61/569070061.db2.gz CGCOCFYCIGXPTO-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000006720189 569098217 /nfs/dbraw/zinc/09/82/17/569098217.db2.gz CIDNIKDWMQRCDU-UHFFFAOYSA-N -1 0 402.472 3.202 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)N2CCCC2)s1 ZINC000064919668 569120941 /nfs/dbraw/zinc/12/09/41/569120941.db2.gz GYFQLEYBTJFRQV-UHFFFAOYSA-N -1 0 414.936 3.376 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)s1 ZINC000064919818 569120967 /nfs/dbraw/zinc/12/09/67/569120967.db2.gz JUFLZMCQRLNECO-UHFFFAOYSA-N -1 0 408.545 3.421 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c(OC)c1 ZINC000064920137 569121068 /nfs/dbraw/zinc/12/10/68/569121068.db2.gz UCRDZVXZEIRAAR-UHFFFAOYSA-N -1 0 407.473 3.494 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000064947293 569129246 /nfs/dbraw/zinc/12/92/46/569129246.db2.gz KIXHDISTZVMCNJ-UHFFFAOYSA-N -1 0 405.451 3.446 50 0 HGAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000006820256 569139315 /nfs/dbraw/zinc/13/93/15/569139315.db2.gz FNJWBZGJBJIOLI-UHFFFAOYSA-N -1 0 406.204 3.315 50 0 HGAARM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2[nH]1 ZINC000064976614 569139766 /nfs/dbraw/zinc/13/97/66/569139766.db2.gz BMHWSKVFKHTXQG-UHFFFAOYSA-N -1 0 407.757 3.209 50 0 HGAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000064979489 569140686 /nfs/dbraw/zinc/14/06/86/569140686.db2.gz UYDONKMIDJHYTR-UHFFFAOYSA-N -1 0 401.444 3.418 50 0 HGAARM Cc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)c(C)c1 ZINC000036359069 569150397 /nfs/dbraw/zinc/15/03/97/569150397.db2.gz QSEZSMOSDHMCON-HSZRJFAPSA-N -1 0 421.497 3.291 50 0 HGAARM Cc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c(C)c1 ZINC000036367144 569152567 /nfs/dbraw/zinc/15/25/67/569152567.db2.gz GKIBKBFCABJRAM-JOCHJYFZSA-N -1 0 421.497 3.441 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c(OC)c1 ZINC000006866401 569159170 /nfs/dbraw/zinc/15/91/70/569159170.db2.gz STCVUJHYLANDBW-ZDUSSCGKSA-N -1 0 416.499 3.192 50 0 HGAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1 ZINC000065097473 569176592 /nfs/dbraw/zinc/17/65/92/569176592.db2.gz QXDYWRJBHZOOGC-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM C[C@H](CCc1ccccc1)NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000006918515 569181509 /nfs/dbraw/zinc/18/15/09/569181509.db2.gz IICCDBCPEDRFAX-CQSZACIVSA-N -1 0 403.529 3.028 50 0 HGAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cn1C ZINC000006919492 569181625 /nfs/dbraw/zinc/18/16/25/569181625.db2.gz IXQPWDKZZBXCMN-UHFFFAOYSA-N -1 0 401.282 3.074 50 0 HGAARM O=C(Nc1ccc2c(c1)OCO2)c1c(=O)[nH]c2c(cnn2-c2ccc(Cl)cc2)c1[O-] ZINC000065250012 569206032 /nfs/dbraw/zinc/20/60/32/569206032.db2.gz GUMIGXDETQTWRY-UHFFFAOYSA-N -1 0 424.800 3.054 50 0 HGAARM O=c1[nH]c2c(cnn2Cc2ccccc2)c([O-])c1-c1nc(-c2cccc(F)c2)no1 ZINC000065256929 569208592 /nfs/dbraw/zinc/20/85/92/569208592.db2.gz BPVGVYDEYUSFCE-UHFFFAOYSA-N -1 0 403.373 3.335 50 0 HGAARM Cc1ccc(C(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)cn1 ZINC000065260872 569209620 /nfs/dbraw/zinc/20/96/20/569209620.db2.gz ZRNQSRFZFCBKPA-UHFFFAOYSA-N -1 0 419.872 3.245 50 0 HGAARM O=C(Nc1cc(-c2n[nH]c(=O)[n-]2)cc(C(F)(F)F)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000065591073 569236616 /nfs/dbraw/zinc/23/66/16/569236616.db2.gz CGOHCUBXJAOHGO-CQSZACIVSA-N -1 0 424.766 3.379 50 0 HGAARM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CC1 ZINC000007421593 569237625 /nfs/dbraw/zinc/23/76/25/569237625.db2.gz YZRRJTACBZDENU-UHFFFAOYSA-N -1 0 409.305 3.451 50 0 HGAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000007428363 569238418 /nfs/dbraw/zinc/23/84/18/569238418.db2.gz VRRQXXLPBKJXIE-UHFFFAOYSA-N -1 0 405.453 3.275 50 0 HGAARM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000170609207 569244872 /nfs/dbraw/zinc/24/48/72/569244872.db2.gz JQELKOVYIKUNSI-UHFFFAOYSA-N -1 0 411.789 3.070 50 0 HGAARM Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)cc1C ZINC000013578903 569256276 /nfs/dbraw/zinc/25/62/76/569256276.db2.gz PJCQVKWQDNRWSX-BBVFFXRHSA-N -1 0 424.478 3.307 50 0 HGAARM COc1ccccc1CNC(=O)CC(C)(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000017112969 569274975 /nfs/dbraw/zinc/27/49/75/569274975.db2.gz UGPYQUUXBPWXEZ-UHFFFAOYSA-N -1 0 415.515 3.140 50 0 HGAARM COc1ccc2[nH]c(C(=O)[O-])c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000002099475 569281142 /nfs/dbraw/zinc/28/11/42/569281142.db2.gz RMWAXHWWRAXQJY-UHFFFAOYSA-N -1 0 400.387 3.153 50 0 biogenic HGAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002104383 569282007 /nfs/dbraw/zinc/28/20/07/569282007.db2.gz RTFQGEOOLBPWHU-PJFSTRORSA-N -1 0 415.486 3.363 50 0 biogenic HGAARM CCc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)[O-])CC3)c(C)c2oc1=O ZINC000002137661 569287440 /nfs/dbraw/zinc/28/74/40/569287440.db2.gz WQXKOBYLQWJFPY-UHFFFAOYSA-N -1 0 415.486 3.358 50 0 biogenic HGAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002146388 569289639 /nfs/dbraw/zinc/28/96/39/569289639.db2.gz JUWNHTQEZSYOSE-IBGZPJMESA-N -1 0 423.465 3.245 50 0 biogenic HGAARM Cc1c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002156234 569290377 /nfs/dbraw/zinc/29/03/77/569290377.db2.gz QNQORKPXIPGGOB-HOTGVXAUSA-N -1 0 423.465 3.357 50 0 biogenic HGAARM O=C([O-])CCC/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000027645162 569385718 /nfs/dbraw/zinc/38/57/18/569385718.db2.gz VJGGHXVGBSZVMZ-JQQJVKALSA-N -1 0 424.921 3.195 50 0 HGAARM NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2C(=O)[O-])cc1 ZINC000225392265 569393525 /nfs/dbraw/zinc/39/35/25/569393525.db2.gz DXTJHUASRINHOD-NRFANRHFSA-N -1 0 421.478 3.388 50 0 HGAARM C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238882102 571046661 /nfs/dbraw/zinc/04/66/61/571046661.db2.gz CIPDGAJKNINTBP-RBSFLKMASA-N -1 0 413.470 3.056 50 0 HGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(CC)CCO2 ZINC000008961627 571190148 /nfs/dbraw/zinc/19/01/48/571190148.db2.gz WWRJEFDZIUHJEU-UHFFFAOYSA-N -1 0 404.488 3.049 50 0 HGAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000040143685 571194104 /nfs/dbraw/zinc/19/41/04/571194104.db2.gz VWDFBWOBQYIEFK-UHFFFAOYSA-N -1 0 421.501 3.041 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccc(F)cc1 ZINC000008977699 571198131 /nfs/dbraw/zinc/19/81/31/571198131.db2.gz RJAVZUVZIUVPBY-UHFFFAOYSA-N -1 0 405.476 3.321 50 0 HGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)c1)CCC2 ZINC000040156790 571203698 /nfs/dbraw/zinc/20/36/98/571203698.db2.gz HCOYWKATOBBIHG-UHFFFAOYSA-N -1 0 400.456 3.023 50 0 HGAARM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000040157116 571203975 /nfs/dbraw/zinc/20/39/75/571203975.db2.gz VPRFJGFSUQBFJZ-UHFFFAOYSA-N -1 0 417.531 3.132 50 0 HGAARM CCC(Nc1ccc(OC)cc1OC)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000009090129 571220180 /nfs/dbraw/zinc/22/01/80/571220180.db2.gz XHXJQIDRPLQSOF-KNTRCKAVSA-N -1 0 409.442 3.058 50 0 HGAARM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)c1cccc(Cl)c1 ZINC000069442835 571228271 /nfs/dbraw/zinc/22/82/71/571228271.db2.gz SBASOPPEIVJVMB-NSHDSACASA-N -1 0 424.935 3.427 50 0 HGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1Cl ZINC000009151536 571230352 /nfs/dbraw/zinc/23/03/52/571230352.db2.gz SAIFYWCCXLPRQC-LLVKDONJSA-N -1 0 424.906 3.456 50 0 HGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000009173509 571234270 /nfs/dbraw/zinc/23/42/70/571234270.db2.gz VSHOHKQUXONAHE-UHFFFAOYSA-N -1 0 404.488 3.470 50 0 HGAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)c(N(C)C)c2)c1C(=O)N1CCCC1 ZINC000009684323 571279416 /nfs/dbraw/zinc/27/94/16/571279416.db2.gz RLVTVXXUMOQAPE-UHFFFAOYSA-N -1 0 404.536 3.043 50 0 HGAARM COc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000009828586 571286806 /nfs/dbraw/zinc/28/68/06/571286806.db2.gz JKFDZOKDYFZZQH-UHFFFAOYSA-N -1 0 417.512 3.442 50 0 HGAARM Cc1ccc(CNC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009828568 571286866 /nfs/dbraw/zinc/28/68/66/571286866.db2.gz UMARVZOQAZUKBC-UHFFFAOYSA-N -1 0 415.540 3.420 50 0 HGAARM O=C([O-])CCc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000071833039 571302796 /nfs/dbraw/zinc/30/27/96/571302796.db2.gz YFJIPJYXFINELF-UHFFFAOYSA-N -1 0 410.289 3.218 50 0 HGAARM O=C([O-])[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000426691083 939142907 /nfs/dbraw/zinc/14/29/07/939142907.db2.gz GDBFPAAJYVHBSY-IBGZPJMESA-N -1 0 410.451 3.043 50 0 HGAARM O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccccc1 ZINC000005045652 132299376 /nfs/dbraw/zinc/29/93/76/132299376.db2.gz KUPDONXTUATKJI-UHFFFAOYSA-N -1 0 414.465 3.311 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)c(OC)c1 ZINC000005136606 132302773 /nfs/dbraw/zinc/30/27/73/132302773.db2.gz BBGFVXGLTPZNPE-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1Cl ZINC000008600673 132331169 /nfs/dbraw/zinc/33/11/69/132331169.db2.gz UFPHMTUZPKTLMM-UHFFFAOYSA-N -1 0 424.906 3.457 50 0 HGAARM CN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000032869496 522908109 /nfs/dbraw/zinc/90/81/09/522908109.db2.gz QPYHMWFSJKEHBC-UHFFFAOYSA-N -1 0 418.906 3.446 50 0 HGAARM COc1ccc(OC)c([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000040313132 524899423 /nfs/dbraw/zinc/89/94/23/524899423.db2.gz JZRIJJNAZWFKRE-HXUWFJFHSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM O=C([O-])CCC/C=C/C[C@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 ZINC000043898778 527572447 /nfs/dbraw/zinc/57/24/47/527572447.db2.gz VJGGHXVGBSZVMZ-IUHUOTSPSA-N -1 0 424.921 3.195 50 0 in-vitro HGAARM CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000000892671 557112667 /nfs/dbraw/zinc/11/26/67/557112667.db2.gz YFGGPIBSLISMSO-UHFFFAOYSA-N -1 0 402.906 3.154 50 0 HGAARM COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)c1 ZINC000001010590 557141582 /nfs/dbraw/zinc/14/15/82/557141582.db2.gz WVPATEIFVFZKBQ-UHFFFAOYSA-N -1 0 416.389 3.446 50 0 HGAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000001041437 557153352 /nfs/dbraw/zinc/15/33/52/557153352.db2.gz JGZKUTSKWGUGBS-GFCCVEGCSA-N -1 0 412.345 3.103 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2sc(Cl)cc2Br)c(OC)n1 ZINC000001046238 557156432 /nfs/dbraw/zinc/15/64/32/557156432.db2.gz UJQSIIUPZWZDQM-UHFFFAOYSA-N -1 0 413.702 3.377 50 0 HGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)cc1 ZINC000001071067 557169475 /nfs/dbraw/zinc/16/94/75/557169475.db2.gz XHAAGGFDDFSRKQ-UHFFFAOYSA-N -1 0 414.277 3.435 50 0 HGAARM CC(C)(C)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000001076066 557172925 /nfs/dbraw/zinc/17/29/25/557172925.db2.gz OFXQTTQOWIQPTN-LJQANCHMSA-N -1 0 400.500 3.440 50 0 biogenic,in-vitro HGAARM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1OCC(N)=O ZINC000001109621 557182373 /nfs/dbraw/zinc/18/23/73/557182373.db2.gz HZLQGCOKBXEFIX-UHFFFAOYSA-N -1 0 422.812 3.332 50 0 HGAARM COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2[N-]C(=O)c2ccco2)cc1 ZINC000001156563 557214422 /nfs/dbraw/zinc/21/44/22/557214422.db2.gz AGBGWNKMQBYXEH-JOCHJYFZSA-N -1 0 422.437 3.125 50 0 HGAARM COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000001161938 557218755 /nfs/dbraw/zinc/21/87/55/557218755.db2.gz NZGAHVKYNJJCCT-OVCLIPMQSA-N -1 0 401.396 3.163 50 0 HGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000001164688 557220014 /nfs/dbraw/zinc/22/00/14/557220014.db2.gz JLWJFNLJHZZATI-VGOFMYFVSA-N -1 0 421.222 3.356 50 0 HGAARM CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000002682872 557367555 /nfs/dbraw/zinc/36/75/55/557367555.db2.gz AETWQLXNBWWWKE-LBPRGKRZSA-N -1 0 412.726 3.284 50 0 HGAARM CCSc1nnc(NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000003117151 557447716 /nfs/dbraw/zinc/44/77/16/557447716.db2.gz YOZXXQXDHCUWKV-SNVBAGLBSA-N -1 0 404.439 3.399 50 0 HGAARM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003641481 557495968 /nfs/dbraw/zinc/49/59/68/557495968.db2.gz LHCVXIUKYDQDSR-OAQYLSRUSA-N -1 0 423.494 3.464 50 0 HGAARM COc1ccc([C@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003641479 557496030 /nfs/dbraw/zinc/49/60/30/557496030.db2.gz LHCVXIUKYDQDSR-NRFANRHFSA-N -1 0 423.494 3.464 50 0 HGAARM CCOC(=O)c1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651246 557575774 /nfs/dbraw/zinc/57/57/74/557575774.db2.gz LZRQANCBNIXHPF-MSOLQXFVSA-N -1 0 417.458 3.426 50 0 HGAARM CCOC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000004748467 557592274 /nfs/dbraw/zinc/59/22/74/557592274.db2.gz STCPRZPASCDOCC-MRXNPFEDSA-N -1 0 414.439 3.195 50 0 HGAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OCC)c1C ZINC000005021030 557626794 /nfs/dbraw/zinc/62/67/94/557626794.db2.gz RUIKYQJZSPJZBH-VXGBXAGGSA-N -1 0 409.460 3.015 50 0 HGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cccc(O)c3)cc1)C2=O ZINC000005198099 557639776 /nfs/dbraw/zinc/63/97/76/557639776.db2.gz SJXDFUMATWZTKM-UHFFFAOYSA-N -1 0 402.362 3.143 50 0 HGAARM O=C1c2ccccc2N[C@H](c2nc3ccccc3[nH]2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000006278436 557697643 /nfs/dbraw/zinc/69/76/43/557697643.db2.gz NYOZDCONDLNBLT-FQEVSTJZSA-N -1 0 419.466 3.023 50 0 HGAARM CCN1c2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)OC)c3cccc(c23)C1=O ZINC000006480526 557704696 /nfs/dbraw/zinc/70/46/96/557704696.db2.gz VQIZFWKNZXPEOO-UHFFFAOYSA-N -1 0 410.451 3.407 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1OC ZINC000006549612 557707460 /nfs/dbraw/zinc/70/74/60/557707460.db2.gz HBSBPXKGOJIKAT-UHFFFAOYSA-N -1 0 404.488 3.131 50 0 HGAARM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000008495120 557793195 /nfs/dbraw/zinc/79/31/95/557793195.db2.gz PIOIWWZQQZQVMD-UHFFFAOYSA-N -1 0 413.455 3.152 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(I)cc2)c(OC)c1 ZINC000008834386 557811486 /nfs/dbraw/zinc/81/14/86/557811486.db2.gz ZGHFIGGFZDGBPJ-UHFFFAOYSA-N -1 0 419.240 3.109 50 0 HGAARM CSCC[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)[O-] ZINC000011635072 558264735 /nfs/dbraw/zinc/26/47/35/558264735.db2.gz NKDDXNNITUYCGY-CYBMUJFWSA-N -1 0 418.334 3.087 50 0 HGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000019819326 558289792 /nfs/dbraw/zinc/28/97/92/558289792.db2.gz UBJLRVMIUOWVHP-UHFFFAOYSA-N -1 0 423.494 3.402 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000020726292 558404930 /nfs/dbraw/zinc/40/49/30/558404930.db2.gz WIJQYQYZJSVLHY-INIZCTEOSA-N -1 0 410.817 3.424 50 0 HGAARM CC(C)[C@H](NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C(=O)[O-] ZINC000020744750 558409513 /nfs/dbraw/zinc/40/95/13/558409513.db2.gz YLEZOMNYJIJFDK-AWEZNQCLSA-N -1 0 402.394 3.477 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O ZINC000012843289 558478648 /nfs/dbraw/zinc/47/86/48/558478648.db2.gz WAEFRGQGIVESOV-UHFFFAOYSA-N -1 0 402.362 3.143 50 0 HGAARM O=C(NCc1ccco1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000012995453 558498451 /nfs/dbraw/zinc/49/84/51/558498451.db2.gz BKZMRZVOGDIYBY-UHFFFAOYSA-N -1 0 406.847 3.369 50 0 HGAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccnc2Sc2ccccc2)C1=O ZINC000013014697 558503897 /nfs/dbraw/zinc/50/38/97/558503897.db2.gz JRSHNWHQULYKHA-JOCHJYFZSA-N -1 0 418.478 3.345 50 0 HGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000014186288 558631031 /nfs/dbraw/zinc/63/10/31/558631031.db2.gz RFPWVSPBFMXZNM-UHFFFAOYSA-N -1 0 423.512 3.376 50 0 HGAARM CCOc1c(Br)cc(/C=C(/NC(C)=O)C(=O)[O-])cc1Br ZINC000004526078 558653604 /nfs/dbraw/zinc/65/36/04/558653604.db2.gz WWMKYBUAMNMFGQ-IZZDOVSWSA-N -1 0 407.058 3.172 50 0 HGAARM [O-]c1c(I)cc(Br)cc1I ZINC000028278253 558694199 /nfs/dbraw/zinc/69/41/99/558694199.db2.gz LFMOQCYPCSHKFH-UHFFFAOYSA-N -1 0 424.801 3.364 50 0 HGAARM CCN(CC)C(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000015836235 558755940 /nfs/dbraw/zinc/75/59/40/558755940.db2.gz QTUKVNXJDIVEMA-UHFFFAOYSA-N -1 0 402.303 3.205 50 0 HGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(NC(=O)Cc3ccccc3)c1)C2=O ZINC000001171614 558775781 /nfs/dbraw/zinc/77/57/81/558775781.db2.gz PJEXXUGXKOTTHI-UHFFFAOYSA-N -1 0 400.390 3.367 50 0 HGAARM CCc1nc2sc([C@H](c3cccs3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000004584784 558780314 /nfs/dbraw/zinc/78/03/14/558780314.db2.gz VLDJOIDWFZQVBW-AWEZNQCLSA-N -1 0 406.533 3.095 50 0 HGAARM Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000060266497 558803756 /nfs/dbraw/zinc/80/37/56/558803756.db2.gz ILVWRXGAVVXCNJ-UHFFFAOYSA-N -1 0 420.556 3.366 50 0 HGAARM CCc1c(C)scc1C(=O)Nn1c(=O)c2c(C)c(C(=O)[O-])sc2[nH]c1=S ZINC000017088295 558817181 /nfs/dbraw/zinc/81/71/81/558817181.db2.gz UDJXDMMKGYISCZ-UHFFFAOYSA-N -1 0 409.514 3.443 50 0 HGAARM CC(C)NC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000017088571 558817343 /nfs/dbraw/zinc/81/73/43/558817343.db2.gz UFWODAJKSOFNSB-LBPRGKRZSA-N -1 0 410.536 3.077 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc(F)c3)c2C)cc1 ZINC000017090622 558819303 /nfs/dbraw/zinc/81/93/03/558819303.db2.gz SXGZZZHDGLJVCE-UHFFFAOYSA-N -1 0 416.478 3.447 50 0 HGAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1nc2ccccc2s1 ZINC000017945704 558828804 /nfs/dbraw/zinc/82/88/04/558828804.db2.gz PJGUQBBWVNPJAB-UHFFFAOYSA-N -1 0 410.480 3.279 50 0 HGAARM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[n-]1 ZINC000072312531 558837787 /nfs/dbraw/zinc/83/77/87/558837787.db2.gz GPAJIFLDZGKZDF-GXTWGEPZSA-N -1 0 410.474 3.268 50 0 HGAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2cccc3nccnc32)C1 ZINC000072314689 558848619 /nfs/dbraw/zinc/84/86/19/558848619.db2.gz FJLSNVJDQNQOAO-GOSISDBHSA-N -1 0 404.426 3.181 50 0 HGAARM Cc1ccc(Cn2c3cc(C(=O)[O-])cnc3n(CCc3ccccn3)c2=O)cc1C ZINC000055392958 558880829 /nfs/dbraw/zinc/88/08/29/558880829.db2.gz WBCPWYMBNOFSEM-UHFFFAOYSA-N -1 0 402.454 3.199 50 0 HGAARM O=C([O-])[C@@H]1CC[C@@H](c2nc3cc(F)ccc3c3nc(=O)c(-c4ccccc4)nn32)C1 ZINC000170620123 558881364 /nfs/dbraw/zinc/88/13/64/558881364.db2.gz CTTAXRWDMSSSIV-ZIAGYGMSSA-N -1 0 404.401 3.412 50 0 HGAARM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000058308499 558918693 /nfs/dbraw/zinc/91/86/93/558918693.db2.gz UVDJBDYXGSSSNB-UHFFFAOYSA-N -1 0 404.350 3.183 50 0 HGAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)c1 ZINC000097940936 558945822 /nfs/dbraw/zinc/94/58/22/558945822.db2.gz PXNVSBXHTSNXHB-UHFFFAOYSA-N -1 0 402.476 3.043 50 0 HGAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC2 ZINC000065363268 558974275 /nfs/dbraw/zinc/97/42/75/558974275.db2.gz XSRLGERJVZYKHS-NHCUHLMSSA-N -1 0 412.486 3.470 50 0 HGAARM O=C(CSc1ccccc1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097124979 558995984 /nfs/dbraw/zinc/99/59/84/558995984.db2.gz JAKMSJQONZKGKH-UHFFFAOYSA-N -1 0 416.506 3.367 50 0 HGAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157011 559022061 /nfs/dbraw/zinc/02/20/61/559022061.db2.gz GXSWVIOECWTQAR-CQSZACIVSA-N -1 0 423.336 3.113 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1I ZINC000095945911 559089328 /nfs/dbraw/zinc/08/93/28/559089328.db2.gz PAJUUSKMCDDCIM-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccc3nccnc3c2)C1 ZINC000011692458 559186290 /nfs/dbraw/zinc/18/62/90/559186290.db2.gz KFCUJVHSEUFSPA-IBGZPJMESA-N -1 0 404.426 3.181 50 0 HGAARM CCN(CC)S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000005126921 559248780 /nfs/dbraw/zinc/24/87/80/559248780.db2.gz PYMLGGPHJNFXHW-UHFFFAOYSA-N -1 0 416.952 3.480 50 0 HGAARM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000005144050 559252257 /nfs/dbraw/zinc/25/22/57/559252257.db2.gz GIRNNZHTRKWVQL-NJDAHSKKSA-N -1 0 414.417 3.436 50 0 HGAARM Cc1cc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000238924053 559271681 /nfs/dbraw/zinc/27/16/81/559271681.db2.gz QPVOVGVGTKDJHA-ULQDDVLXSA-N -1 0 415.486 3.493 50 0 biogenic HGAARM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)cc1N1CCCC1=O ZINC000005329685 560565519 /nfs/dbraw/zinc/56/55/19/560565519.db2.gz XLQMXPWGZRDTIB-UHFFFAOYSA-N -1 0 404.488 3.248 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCCC3=O)c2)c(OC)c1 ZINC000005330147 560565694 /nfs/dbraw/zinc/56/56/94/560565694.db2.gz IKDQXIQKAKQTII-UHFFFAOYSA-N -1 0 404.488 3.330 50 0 HGAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000005323472 560568780 /nfs/dbraw/zinc/56/87/80/560568780.db2.gz AZZXGZFNHPVHPA-RBUKOAKNSA-N -1 0 410.470 3.291 50 0 HGAARM COc1ccc(Br)cc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000004649232 560735848 /nfs/dbraw/zinc/73/58/48/560735848.db2.gz CLFKDYIVTZCFJU-UHFFFAOYSA-N -1 0 410.220 3.425 50 0 HGAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101079146 560771433 /nfs/dbraw/zinc/77/14/33/560771433.db2.gz UFSRALLCAUGIDN-ZDUSSCGKSA-N -1 0 414.483 3.060 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1C ZINC000101168413 560787538 /nfs/dbraw/zinc/78/75/38/560787538.db2.gz GUUNSHSFGBFERA-SFTDATJTSA-N -1 0 419.485 3.359 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000101274985 560790269 /nfs/dbraw/zinc/79/02/69/560790269.db2.gz HXQROEYSWXQPRW-OALUTQOASA-N -1 0 416.441 3.101 50 0 HGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000101298767 560791183 /nfs/dbraw/zinc/79/11/83/560791183.db2.gz KUHOBWQIXQENBS-GOSISDBHSA-N -1 0 408.389 3.267 50 0 HGAARM O=C(NCc1cc(F)cc(F)c1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301794 560791238 /nfs/dbraw/zinc/79/12/38/560791238.db2.gz AJGTWOXOFZABQL-UHFFFAOYSA-N -1 0 407.376 3.300 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCCc4ccc(C)cc4)c3=O)c2c1 ZINC000101497664 560796444 /nfs/dbraw/zinc/79/64/44/560796444.db2.gz XXQSSHCGPDVILJ-UHFFFAOYSA-N -1 0 422.510 3.216 50 0 HGAARM COc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722380 560798834 /nfs/dbraw/zinc/79/88/34/560798834.db2.gz ZRHDAQBNMRVYQY-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM O=C(NCc1ccc(F)cc1F)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722738 560798950 /nfs/dbraw/zinc/79/89/50/560798950.db2.gz PBMXKQUGWZODNR-UHFFFAOYSA-N -1 0 421.403 3.359 50 0 HGAARM COc1ccc(Cl)cc1NC(=O)Cn1nc2c3cc(F)ccc3[nH]cc-2c1=O ZINC000101800988 560802047 /nfs/dbraw/zinc/80/20/47/560802047.db2.gz CUVQXSCBGNRHFU-UHFFFAOYSA-N -1 0 400.797 3.269 50 0 HGAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)C1 ZINC000102879015 560833545 /nfs/dbraw/zinc/83/35/45/560833545.db2.gz VCNFHAROFXRDBR-XJKSGUPXSA-N -1 0 418.494 3.308 50 0 HGAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1cc(C(F)(F)F)ccc1Cl ZINC000047328512 560886187 /nfs/dbraw/zinc/88/61/87/560886187.db2.gz FTDURHHNWDGJTD-UHFFFAOYSA-N -1 0 403.773 3.135 50 0 HGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(O)cc2)CC(=O)N3)c1 ZINC000049543408 568451134 /nfs/dbraw/zinc/45/11/34/568451134.db2.gz FQFPKNVRCAWAOP-HNNXBMFYSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000000802922 568485143 /nfs/dbraw/zinc/48/51/43/568485143.db2.gz ZBCZVYPNVVAGAO-UHFFFAOYSA-N -1 0 400.456 3.409 50 0 HGAARM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC000095424553 568607774 /nfs/dbraw/zinc/60/77/74/568607774.db2.gz MLUVEWSCWXMKIS-UHFFFAOYSA-N -1 0 424.457 3.115 50 0 HGAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CSCc2cccnc2)c1 ZINC000095425443 568607904 /nfs/dbraw/zinc/60/79/04/568607904.db2.gz JLYDHNKPUQENRN-SFHVURJKSA-N -1 0 413.499 3.033 50 0 HGAARM O=C([O-])C1CCN(C(=O)c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CC1 ZINC000095425516 568607922 /nfs/dbraw/zinc/60/79/22/568607922.db2.gz NDQDLWOLAASVLF-UHFFFAOYSA-N -1 0 409.417 3.496 50 0 HGAARM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000095463885 568622155 /nfs/dbraw/zinc/62/21/55/568622155.db2.gz LGLQAZZIHIBPPP-UHFFFAOYSA-N -1 0 413.430 3.055 50 0 HGAARM CCCCCCn1c(=O)[nH]c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c1=O ZINC000020758662 568641897 /nfs/dbraw/zinc/64/18/97/568641897.db2.gz ZJYYXCXWQYQQEL-FQEVSTJZSA-N -1 0 410.518 3.271 50 0 biogenic HGAARM COC(=O)c1c(SCC(=O)Nc2cccc(C(C)=O)c2)[n-]c2ccccc2c1=O ZINC000020981987 568654511 /nfs/dbraw/zinc/65/45/11/568654511.db2.gz PEFBTBVRJCZILT-UHFFFAOYSA-N -1 0 410.451 3.248 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1OC ZINC000021033039 568659558 /nfs/dbraw/zinc/65/95/58/568659558.db2.gz FMSTXDSYZKSGLG-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000095970193 568671329 /nfs/dbraw/zinc/67/13/29/568671329.db2.gz XGLICMZLQLPMGR-NRFANRHFSA-N -1 0 405.429 3.324 50 0 HGAARM COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000095970582 568671482 /nfs/dbraw/zinc/67/14/82/568671482.db2.gz MVSQOHRDYHKLAJ-CQSZACIVSA-N -1 0 409.442 3.007 50 0 HGAARM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000095971415 568671490 /nfs/dbraw/zinc/67/14/90/568671490.db2.gz VDRMZBHTTFTRBI-UHFFFAOYSA-N -1 0 416.499 3.049 50 0 HGAARM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CCC(=O)[O-])c(OC)c1 ZINC000095970528 568671569 /nfs/dbraw/zinc/67/15/69/568671569.db2.gz QDNYBTQESXLCJU-UHFFFAOYSA-N -1 0 409.442 3.103 50 0 HGAARM CC(C)OC(=O)c1c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)sc2c1CCCC2 ZINC000095995731 568678938 /nfs/dbraw/zinc/67/89/38/568678938.db2.gz NDPHKUFPEZFFGF-UHFFFAOYSA-N -1 0 417.940 3.380 50 0 HGAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3F)C2)c1 ZINC000225848625 568680184 /nfs/dbraw/zinc/68/01/84/568680184.db2.gz FQNOOIQNOOQCRR-GOSISDBHSA-N -1 0 400.406 3.385 50 0 HGAARM COC(=O)C[C@H](c1c([O-])nc2ccc(Cl)cn2c1=O)C1=Cc2ccccc2OC1 ZINC000096115088 568694629 /nfs/dbraw/zinc/69/46/29/568694629.db2.gz QEMJJXOSXGNHAS-HNNXBMFYSA-N -1 0 412.829 3.176 50 0 biogenic HGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N[C@H](C)c1ccccc1)c2=O ZINC000012415890 568717960 /nfs/dbraw/zinc/71/79/60/568717960.db2.gz RHTTVYYUJZYLJH-CYBMUJFWSA-N -1 0 411.483 3.113 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc(OC)c1 ZINC000096322193 568729763 /nfs/dbraw/zinc/72/97/63/568729763.db2.gz CIJRFRJMIXUWKN-UHFFFAOYSA-N -1 0 405.451 3.446 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(CC)cc2)cc1 ZINC000096361167 568739199 /nfs/dbraw/zinc/73/91/99/568739199.db2.gz QFXWHTQQIUVOID-UHFFFAOYSA-N -1 0 414.487 3.424 50 0 HGAARM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015043762 568748391 /nfs/dbraw/zinc/74/83/91/568748391.db2.gz YHUZNBCTZHINTR-JKSUJKDBSA-N -1 0 413.493 3.448 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[C@@H](C)CC)C(=O)[O-] ZINC000025076479 568748525 /nfs/dbraw/zinc/74/85/25/568748525.db2.gz CSSJVRRJMBZJLL-LUVWLHFXSA-N -1 0 418.494 3.015 50 0 HGAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2cccc3ccccc32)cc1 ZINC000001004333 568762394 /nfs/dbraw/zinc/76/23/94/568762394.db2.gz BGBBCYVLQZHMML-UHFFFAOYSA-N -1 0 405.439 3.245 50 0 HGAARM COc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000057123502 568824348 /nfs/dbraw/zinc/82/43/48/568824348.db2.gz MQZRGBSZCUSMMM-UHFFFAOYSA-N -1 0 418.240 3.120 50 0 HGAARM Cc1cc(S(=O)(=O)N(C)c2ccc(Br)cc2F)sc1C(=O)[O-] ZINC000057123497 568824355 /nfs/dbraw/zinc/82/43/55/568824355.db2.gz WRRMHDAEOMCBGY-UHFFFAOYSA-N -1 0 408.270 3.481 50 0 HGAARM COc1cc(OC)cc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034768172 568825824 /nfs/dbraw/zinc/82/58/24/568825824.db2.gz XIEFHVZCPFIGCD-AWEZNQCLSA-N -1 0 408.458 3.071 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000005881834 568828123 /nfs/dbraw/zinc/82/81/23/568828123.db2.gz CCGLDKRZAOREEZ-UHFFFAOYSA-N -1 0 400.547 3.032 50 0 HGAARM O=C1C=C(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CN1c1ccccc1 ZINC000227163266 568828544 /nfs/dbraw/zinc/82/85/44/568828544.db2.gz CVSOIXKRFORXHQ-UHFFFAOYSA-N -1 0 412.496 3.287 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1 ZINC000006024039 568835537 /nfs/dbraw/zinc/83/55/37/568835537.db2.gz JUCGMMKFWOTYGC-UHFFFAOYSA-N -1 0 414.574 3.422 50 0 HGAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000012526439 568843241 /nfs/dbraw/zinc/84/32/41/568843241.db2.gz XBOYQZZSUPORLA-UHFFFAOYSA-N -1 0 423.130 3.363 50 0 HGAARM COc1ccc(CCn2c(=O)c3cc(OC)c(OC)cc3[n-]c2=S)cc1OC ZINC000003043369 568848254 /nfs/dbraw/zinc/84/82/54/568848254.db2.gz CKMQWKLCANBRHD-UHFFFAOYSA-N -1 0 402.472 3.336 50 0 HGAARM COc1cc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc(OC)c1OC ZINC000003043801 568848418 /nfs/dbraw/zinc/84/84/18/568848418.db2.gz VNSFDHJGNCVNCC-UHFFFAOYSA-N -1 0 415.471 3.114 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C(=O)[O-] ZINC000012544850 568850019 /nfs/dbraw/zinc/85/00/19/568850019.db2.gz SRFWNWMNQJTCMF-UHFFFAOYSA-N -1 0 400.412 3.339 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)nc(C)n1 ZINC000003262176 568869328 /nfs/dbraw/zinc/86/93/28/568869328.db2.gz DENQZODIGSTZSF-UHFFFAOYSA-N -1 0 417.878 3.195 50 0 HGAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003431524 568901857 /nfs/dbraw/zinc/90/18/57/568901857.db2.gz FPYMGXIGQYFCQT-UHFFFAOYSA-N -1 0 424.544 3.061 50 0 HGAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000012650678 568906493 /nfs/dbraw/zinc/90/64/93/568906493.db2.gz YWOVVVVRMOJSFZ-UHFFFAOYSA-N -1 0 400.407 3.184 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2Sc2cnccn2)cc1 ZINC000004110252 568910121 /nfs/dbraw/zinc/91/01/21/568910121.db2.gz QCHHWGBQJRCHMV-UHFFFAOYSA-N -1 0 400.485 3.447 50 0 HGAARM Cc1ccc(-c2nc(C)c(C(=O)[N-]N3C(=O)NC4(CCC(C)CC4)C3=O)s2)o1 ZINC000031211417 568919406 /nfs/dbraw/zinc/91/94/06/568919406.db2.gz TTZYJYSOXGFVCS-UHFFFAOYSA-N -1 0 402.476 3.165 50 0 HGAARM O=C(NCCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000003631930 568921460 /nfs/dbraw/zinc/92/14/60/568921460.db2.gz PKVONWCEMDAUMM-QGZVFWFLSA-N -1 0 409.511 3.211 50 0 HGAARM COCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000083914723 568924876 /nfs/dbraw/zinc/92/48/76/568924876.db2.gz ZYIYWUACBVKIFI-UHFFFAOYSA-N -1 0 403.485 3.343 50 0 HGAARM CC(NCc1ccccc1C(F)(F)F)=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000001407320 568928184 /nfs/dbraw/zinc/92/81/84/568928184.db2.gz OVFVMRAUKDJNMD-LFIBNONCSA-N -1 0 421.350 3.491 50 0 HGAARM COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1OCC(C)C ZINC000012746269 568931513 /nfs/dbraw/zinc/93/15/13/568931513.db2.gz VDCXWBYDRHEKBQ-UHFFFAOYSA-N -1 0 401.488 3.300 50 0 HGAARM CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000015670690 568961949 /nfs/dbraw/zinc/96/19/49/568961949.db2.gz UDWAVKVVOLKILS-SFHVURJKSA-N -1 0 422.510 3.203 50 0 HGAARM CC[C@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)cc2C1 ZINC000008232550 568984477 /nfs/dbraw/zinc/98/44/77/568984477.db2.gz MWJUMRBCRKYTHX-ZDUSSCGKSA-N -1 0 406.529 3.340 50 0 HGAARM O=C([O-])CCn1c2ccc(F)cc2c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000085392249 568984699 /nfs/dbraw/zinc/98/46/99/568984699.db2.gz NJHIMQGHHQIXTE-UHFFFAOYSA-N -1 0 420.437 3.141 50 0 HGAARM Cc1cccc(C)c1NC(=O)CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000085703929 569007269 /nfs/dbraw/zinc/00/72/69/569007269.db2.gz NMMQQGWKQBYBKL-UHFFFAOYSA-N -1 0 405.483 3.456 50 0 HGAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000006167948 569016214 /nfs/dbraw/zinc/01/62/14/569016214.db2.gz LCZOHVIOAGKGAD-UHFFFAOYSA-N -1 0 403.410 3.091 50 0 HGAARM CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NCCCC(=O)[O-])n3C)cc2C1 ZINC000012916430 569022320 /nfs/dbraw/zinc/02/23/20/569022320.db2.gz QOASUYPYYCHXHC-LBPRGKRZSA-N -1 0 422.576 3.132 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4ccccc4)CC3)nc2)c(C)c1 ZINC000090584136 569041307 /nfs/dbraw/zinc/04/13/07/569041307.db2.gz GZSMRICNPJDAAH-UHFFFAOYSA-N -1 0 423.542 3.221 50 0 HGAARM COCc1nc(C)c(C(=O)[N-]n2cnc3scc(-c4ccccc4)c3c2=O)s1 ZINC000089559505 569070302 /nfs/dbraw/zinc/07/03/02/569070302.db2.gz LXWOHVVVGNSGPS-UHFFFAOYSA-N -1 0 412.496 3.420 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000006623408 569075068 /nfs/dbraw/zinc/07/50/68/569075068.db2.gz WIJLEEMZNVOTRF-UHFFFAOYSA-N -1 0 415.496 3.273 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)n(C)c1C ZINC000064922395 569122301 /nfs/dbraw/zinc/12/23/01/569122301.db2.gz JDSUXOBFTKBQLR-UHFFFAOYSA-N -1 0 419.547 3.323 50 0 HGAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000036365022 569152060 /nfs/dbraw/zinc/15/20/60/569152060.db2.gz UNIPAQHLZDFQOW-UHFFFAOYSA-N -1 0 402.451 3.387 50 0 HGAARM O=C(Nc1ccc(F)cc1F)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249954 569206014 /nfs/dbraw/zinc/20/60/14/569206014.db2.gz CJGPXERKGFSHJM-UHFFFAOYSA-N -1 0 400.316 3.089 50 0 HGAARM COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000065520969 569233473 /nfs/dbraw/zinc/23/34/73/569233473.db2.gz VAAOMCRIBXNLQR-UHFFFAOYSA-N -1 0 422.203 3.235 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Br ZINC000007325548 569233591 /nfs/dbraw/zinc/23/35/91/569233591.db2.gz VZNUNZQJPMTOGP-UHFFFAOYSA-N -1 0 409.305 3.451 50 0 HGAARM CC(=O)Nc1ccc(NC(=O)c2cnc3n(-c4ccccc4)[n-]c(C)c-3c2=O)cc1 ZINC000007424109 569237966 /nfs/dbraw/zinc/23/79/66/569237966.db2.gz WZYQIXXHKFRACR-UHFFFAOYSA-N -1 0 401.426 3.233 50 0 HGAARM CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000170592119 569240981 /nfs/dbraw/zinc/24/09/81/569240981.db2.gz OIUZQONJCQCSFJ-ZWKOTPCHSA-N -1 0 420.868 3.046 50 0 HGAARM COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000007551160 569249184 /nfs/dbraw/zinc/24/91/84/569249184.db2.gz BIYNBGNTOSOSAC-HNNXBMFYSA-N -1 0 401.246 3.372 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c1 ZINC000170626298 569250428 /nfs/dbraw/zinc/25/04/28/569250428.db2.gz XIXWJGXVRMAIIY-UHFFFAOYSA-N -1 0 409.895 3.087 50 0 HGAARM COc1ccc(-c2cc3[n-]c(CSc4nc5ncccn5n4)nc(=O)c3s2)cc1 ZINC000010078746 569253212 /nfs/dbraw/zinc/25/32/12/569253212.db2.gz DAHJVPJESQVKAX-UHFFFAOYSA-N -1 0 422.495 3.390 50 0 HGAARM CN([C@H]1CCc2c(c3ccccc3n2CC(=O)[O-])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000013608929 569256693 /nfs/dbraw/zinc/25/66/93/569256693.db2.gz CANCTKXGRVNXFP-HNNXBMFYSA-N -1 0 416.474 3.043 50 0 in-vivo HGAARM CC(C)(CC(=O)NCc1ccc(F)cc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000017112966 569274982 /nfs/dbraw/zinc/27/49/82/569274982.db2.gz XNVKYDIWLYXRPY-UHFFFAOYSA-N -1 0 403.479 3.270 50 0 HGAARM O=C(CCCC1=Nc2ccccc2S(=O)(=O)[N-]1)N1CC=C(c2ccccc2)CC1 ZINC000017178378 569276384 /nfs/dbraw/zinc/27/63/84/569276384.db2.gz MJZWLIMISRWFJC-UHFFFAOYSA-N -1 0 409.511 3.495 50 0 HGAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc2c1C ZINC000002107338 569283219 /nfs/dbraw/zinc/28/32/19/569283219.db2.gz HBIBEMCAVWJGOB-IBGZPJMESA-N -1 0 423.465 3.163 50 0 biogenic HGAARM Cc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)[O-])CC3)c(C)c2oc1=O ZINC000002119808 569284897 /nfs/dbraw/zinc/28/48/97/569284897.db2.gz MMUQSPGHDNRXTN-UHFFFAOYSA-N -1 0 401.459 3.104 50 0 HGAARM CCSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002121999 569285527 /nfs/dbraw/zinc/28/55/27/569285527.db2.gz VHATXJKTYVRTBY-INIZCTEOSA-N -1 0 417.483 3.411 50 0 biogenic HGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1)OC(C)(C)CC3 ZINC000012892394 569404547 /nfs/dbraw/zinc/40/45/47/569404547.db2.gz UATUAMLHWHSNGX-OAHLLOKOSA-N -1 0 413.470 3.071 50 0 biogenic HGAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000012895853 569404698 /nfs/dbraw/zinc/40/46/98/569404698.db2.gz PKWHGBVVIKOJJU-UHFFFAOYSA-N -1 0 401.459 3.281 50 0 biogenic HGAARM O=S(=O)([N-]c1ncnn1-c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000328594001 569415650 /nfs/dbraw/zinc/41/56/50/569415650.db2.gz HQQMSQBHKFIKQJ-UHFFFAOYSA-N -1 0 402.785 3.162 50 0 HGAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1 ZINC000079020403 569424272 /nfs/dbraw/zinc/42/42/72/569424272.db2.gz XDVXDIQAHZIHPS-UHFFFAOYSA-N -1 0 400.250 3.132 50 0 HGAARM O=S(=O)([N-]c1cnn(Cc2ncc(C(F)(F)F)cc2Cl)c1)C(F)(F)F ZINC000263639733 571043635 /nfs/dbraw/zinc/04/36/35/571043635.db2.gz GOWZRGHVAAEHLR-UHFFFAOYSA-N -1 0 408.711 3.260 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000067245468 571053961 /nfs/dbraw/zinc/05/39/61/571053961.db2.gz NUEBYYLJPCGNLB-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000008814926 571121278 /nfs/dbraw/zinc/12/12/78/571121278.db2.gz SYOSDGZFNGWYFR-YKSBVNFPSA-N -1 0 419.481 3.270 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000008882038 571140508 /nfs/dbraw/zinc/14/05/08/571140508.db2.gz MBFTZUBUMFKQJI-UHFFFAOYSA-N -1 0 415.496 3.333 50 0 HGAARM CCN1CCOc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2C1=O ZINC000008961639 571190106 /nfs/dbraw/zinc/19/01/06/571190106.db2.gz WZWSZYRBVZTOPJ-UHFFFAOYSA-N -1 0 410.879 3.004 50 0 HGAARM O=S(=O)([N-]c1ccccc1-n1ccnn1)c1c(F)cc(F)cc1Br ZINC000040146637 571196474 /nfs/dbraw/zinc/19/64/74/571196474.db2.gz LTIVYQFKVXYEBC-UHFFFAOYSA-N -1 0 415.219 3.109 50 0 HGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000008977418 571198145 /nfs/dbraw/zinc/19/81/45/571198145.db2.gz QHECMZKVRLLIHX-UHFFFAOYSA-N -1 0 420.918 3.444 50 0 HGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009169980 571233590 /nfs/dbraw/zinc/23/35/90/571233590.db2.gz GHFNXNOJPLXYEN-UHFFFAOYSA-N -1 0 404.488 3.186 50 0 HGAARM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009224159 571238849 /nfs/dbraw/zinc/23/88/49/571238849.db2.gz SGKVHDJHBIGEAH-UHFFFAOYSA-N -1 0 422.510 3.337 50 0 HGAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000010273253 571299084 /nfs/dbraw/zinc/29/90/84/571299084.db2.gz NRMRWCVXFJXLPV-MOPGFXCFSA-N -1 0 401.426 3.452 50 0 HGAARM CC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(Cc2cccs2)CC1 ZINC000032100992 519734863 /nfs/dbraw/zinc/73/48/63/519734863.db2.gz JMOGKWYWHLJJKL-HXUWFJFHSA-N -1 0 412.515 3.131 50 0 HGAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000032908770 524000984 /nfs/dbraw/zinc/00/09/84/524000984.db2.gz IJIAAEWASPABDH-ZDUSSCGKSA-N -1 0 400.456 3.122 50 0 HGAARM Cc1ccc(C)c(S(=O)(=O)c2c3[n-]cnc(=O)c3sc2N2CCCCC2)c1 ZINC000040478937 524198049 /nfs/dbraw/zinc/19/80/49/524198049.db2.gz OWUJMWIVOUCRRL-UHFFFAOYSA-N -1 0 403.529 3.425 50 0 HGAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)NCC(F)(F)F ZINC000032778463 527075396 /nfs/dbraw/zinc/07/53/96/527075396.db2.gz BTFZVTJJLYEIGB-UHFFFAOYSA-N -1 0 419.237 3.383 50 0 HGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1C ZINC000000636780 557029850 /nfs/dbraw/zinc/02/98/50/557029850.db2.gz VGOZUCJZCVKAHW-UHFFFAOYSA-N -1 0 401.444 3.110 50 0 HGAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000675456 557052007 /nfs/dbraw/zinc/05/20/07/557052007.db2.gz YYJVVAWTTNUYHN-UHFFFAOYSA-N -1 0 424.478 3.458 50 0 HGAARM CC(C)c1cc2oc(=O)c(I)c([O-])c2c(=O)n1-c1ccccc1 ZINC000000704363 557063330 /nfs/dbraw/zinc/06/33/30/557063330.db2.gz RMAWBWQZZAPUNF-UHFFFAOYSA-N -1 0 423.206 3.378 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000000802797 557085507 /nfs/dbraw/zinc/08/55/07/557085507.db2.gz UEFLJEDGKDXGDW-UHFFFAOYSA-N -1 0 402.428 3.350 50 0 HGAARM CCOc1ccc(NC(=O)[C@H](C)O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000001013294 557142483 /nfs/dbraw/zinc/14/24/83/557142483.db2.gz HZXKIPYATPPCIX-AWEZNQCLSA-N -1 0 414.483 3.359 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000001041792 557153695 /nfs/dbraw/zinc/15/36/95/557153695.db2.gz GPLOXJNNRRTCPW-UHFFFAOYSA-N -1 0 414.350 3.246 50 0 HGAARM COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc21 ZINC000001052726 557160624 /nfs/dbraw/zinc/16/06/24/557160624.db2.gz VIOPOOOBIKMPJY-UHFFFAOYSA-N -1 0 405.428 3.346 50 0 HGAARM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001059367 557163022 /nfs/dbraw/zinc/16/30/22/557163022.db2.gz ODSDVGADMOKSJO-UHFFFAOYSA-N -1 0 414.512 3.398 50 0 HGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc(I)c2)cc1 ZINC000001117113 557187709 /nfs/dbraw/zinc/18/77/09/557187709.db2.gz GQYJLZDHIZDXEY-UHFFFAOYSA-N -1 0 400.237 3.256 50 0 HGAARM COc1ccc([C@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001441634 557264605 /nfs/dbraw/zinc/26/46/05/557264605.db2.gz DZNWJLRKOLMYFS-FQEVSTJZSA-N -1 0 409.467 3.155 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000002790704 557388620 /nfs/dbraw/zinc/38/86/20/557388620.db2.gz CFFXMYRVSCXAAR-UHFFFAOYSA-N -1 0 424.906 3.271 50 0 HGAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)cc1 ZINC000034763680 557461120 /nfs/dbraw/zinc/46/11/20/557461120.db2.gz RYPDPJLPDNVBKM-HNNXBMFYSA-N -1 0 407.474 3.066 50 0 HGAARM O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O)NCCc1ccccc1 ZINC000034765430 557461855 /nfs/dbraw/zinc/46/18/55/557461855.db2.gz FQTHQBQJYKYBQM-UHFFFAOYSA-N -1 0 418.497 3.325 50 0 HGAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)cc1OC ZINC000034767045 557462445 /nfs/dbraw/zinc/46/24/45/557462445.db2.gz YEDWFSUHWGCHDN-OAHLLOKOSA-N -1 0 414.506 3.375 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 ZINC000003641495 557495986 /nfs/dbraw/zinc/49/59/86/557495986.db2.gz KFFGDCFVDLPPRX-FQEVSTJZSA-N -1 0 409.467 3.161 50 0 HGAARM CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000003652760 557496921 /nfs/dbraw/zinc/49/69/21/557496921.db2.gz CKMHWZJFTYYBHT-OVCLIPMQSA-N -1 0 416.817 3.299 50 0 HGAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[n-]c1=O ZINC000035378051 557533443 /nfs/dbraw/zinc/53/34/43/557533443.db2.gz XBVOLHHUYAQYOV-UHFFFAOYSA-N -1 0 409.471 3.324 50 0 HGAARM O=C([O-])COCC(=O)Nc1ccccc1SCc1noc(-c2cccs2)n1 ZINC000004390618 557550886 /nfs/dbraw/zinc/55/08/86/557550886.db2.gz WJMNDAJVGNCCLX-UHFFFAOYSA-N -1 0 405.457 3.130 50 0 HGAARM O=C([O-])[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004521941 557563267 /nfs/dbraw/zinc/56/32/67/557563267.db2.gz BLZXFNUZFTZCFD-LJQANCHMSA-N -1 0 414.458 3.463 50 0 HGAARM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004535624 557564447 /nfs/dbraw/zinc/56/44/47/557564447.db2.gz IBOXOGVHBFUSFH-VQTJNVASSA-N -1 0 412.486 3.140 50 0 HGAARM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004535614 557564494 /nfs/dbraw/zinc/56/44/94/557564494.db2.gz IBOXOGVHBFUSFH-UXHICEINSA-N -1 0 412.486 3.140 50 0 HGAARM C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1(Cl)Cl ZINC000004749562 557592430 /nfs/dbraw/zinc/59/24/30/557592430.db2.gz LYOGEACYPKGQAF-ZDUSSCGKSA-N -1 0 406.316 3.466 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000004815797 557601485 /nfs/dbraw/zinc/60/14/85/557601485.db2.gz GNDZYEZDGYKLQD-UHFFFAOYSA-N -1 0 412.920 3.286 50 0 HGAARM CC[C@@H](C)[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000005103132 557636677 /nfs/dbraw/zinc/63/66/77/557636677.db2.gz ATSMWYLJBYQVCG-BVQBXSRMSA-N -1 0 410.470 3.082 50 0 HGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 ZINC000005557682 557661804 /nfs/dbraw/zinc/66/18/04/557661804.db2.gz ORYUDCRMQUSGMQ-UHFFFAOYSA-N -1 0 410.542 3.426 50 0 HGAARM CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000002767190 557759938 /nfs/dbraw/zinc/75/99/38/557759938.db2.gz HRCJAIVIUFVPCU-CHWSQXEVSA-N -1 0 424.519 3.155 50 0 HGAARM CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000002767192 557759954 /nfs/dbraw/zinc/75/99/54/557759954.db2.gz HRCJAIVIUFVPCU-OLZOCXBDSA-N -1 0 424.519 3.155 50 0 HGAARM COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000008385989 557785382 /nfs/dbraw/zinc/78/53/82/557785382.db2.gz GSFXSFLLWNKGBG-WWGRRREGSA-N -1 0 416.446 3.026 50 0 HGAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022852234 557839727 /nfs/dbraw/zinc/83/97/27/557839727.db2.gz AXJLYNUJYQLCLG-HNNXBMFYSA-N -1 0 400.435 3.317 50 0 HGAARM CCOC(=O)[C@H]1CCCN([C@@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000022853447 557840265 /nfs/dbraw/zinc/84/02/65/557840265.db2.gz IRBPUJOHULTFDG-WFASDCNBSA-N -1 0 404.492 3.016 50 0 HGAARM O=C1Nc2c(c(=O)[n-]c(=S)n2-c2ccccc2)C(C(F)(F)F)(C(F)(F)F)N1 ZINC000012377126 558392345 /nfs/dbraw/zinc/39/23/45/558392345.db2.gz QSUSNUODLVWIRW-UHFFFAOYSA-N -1 0 410.299 3.350 50 0 HGAARM Cc1csc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000021022119 558429594 /nfs/dbraw/zinc/42/95/94/558429594.db2.gz OYOPEVNFJHLPQP-UHFFFAOYSA-N -1 0 405.476 3.321 50 0 HGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccco2)c1 ZINC000022411656 558488071 /nfs/dbraw/zinc/48/80/71/558488071.db2.gz BXQGOLYLGBHTSB-UHFFFAOYSA-N -1 0 406.441 3.181 50 0 HGAARM O=C(NCc1cn2ccccc2n1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000023754399 558573969 /nfs/dbraw/zinc/57/39/69/558573969.db2.gz BXWNLVIHHIEZOX-UHFFFAOYSA-N -1 0 412.496 3.127 50 0 HGAARM CSCC[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857851 558598785 /nfs/dbraw/zinc/59/87/85/558598785.db2.gz YKWCWHMKDAUVDY-AWUBQHKLSA-N -1 0 407.491 3.085 50 0 HGAARM COc1ccc(/C=C2/N=C(c3ccccc3)N([N-]C(=O)c3ccco3)C2=O)cc1OC ZINC000013895534 558600343 /nfs/dbraw/zinc/60/03/43/558600343.db2.gz BWWZEUDSSBBUQE-GHRIWEEISA-N -1 0 417.421 3.272 50 0 HGAARM CCc1nc2sc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c(C)c2c(C)n1 ZINC000024746594 558609539 /nfs/dbraw/zinc/60/95/39/558609539.db2.gz VBRSOQZBMCGMMF-UHFFFAOYSA-N -1 0 413.528 3.441 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000024764973 558611464 /nfs/dbraw/zinc/61/14/64/558611464.db2.gz UFPURSUGPRXLAY-GFCCVEGCSA-N -1 0 419.528 3.495 50 0 HGAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 ZINC000026532577 558662514 /nfs/dbraw/zinc/66/25/14/558662514.db2.gz HTVZCKDNQIYGCV-ZDUSSCGKSA-N -1 0 418.906 3.365 50 0 HGAARM O=C(CSc1nc(=O)[n-]c(Cc2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 ZINC000027643426 558677581 /nfs/dbraw/zinc/67/75/81/558677581.db2.gz SPTHJJZTNCKXKC-UHFFFAOYSA-N -1 0 404.854 3.279 50 0 HGAARM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015107428 558723232 /nfs/dbraw/zinc/72/32/32/558723232.db2.gz CJGSOGSBHQEHMW-HNNXBMFYSA-N -1 0 422.462 3.452 50 0 HGAARM Cc1ccc(CCC2CCN(C(=O)Cc3csc([N-]S(C)(=O)=O)n3)CC2)cc1 ZINC000029975250 558725113 /nfs/dbraw/zinc/72/51/13/558725113.db2.gz BIZVYKPICSHVRT-UHFFFAOYSA-N -1 0 421.588 3.237 50 0 HGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000004580683 558767005 /nfs/dbraw/zinc/76/70/05/558767005.db2.gz QMYRFMWYEWGADQ-HNNXBMFYSA-N -1 0 408.248 3.412 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000001083500 558775119 /nfs/dbraw/zinc/77/51/19/558775119.db2.gz ZMGHLLPWDMAKED-RTBURBONSA-N -1 0 414.483 3.401 50 0 HGAARM CCOC(=O)[C@H]1CCCN([C@H](c2cccs2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000004584759 558780239 /nfs/dbraw/zinc/78/02/39/558780239.db2.gz UDDGGNMQFSPRFE-SWLSCSKDSA-N -1 0 420.560 3.485 50 0 HGAARM O=C([O-])c1cc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)ccc1O ZINC000016921285 558809191 /nfs/dbraw/zinc/80/91/91/558809191.db2.gz FAVSJBUAJJUUSP-GUSDSWBTSA-N -1 0 424.434 3.322 50 0 HGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000017082802 558815061 /nfs/dbraw/zinc/81/50/61/558815061.db2.gz GVEFGKUEHIHUSF-LSDHHAIUSA-N -1 0 404.264 3.299 50 0 HGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000017082804 558815065 /nfs/dbraw/zinc/81/50/65/558815065.db2.gz GVEFGKUEHIHUSF-HUUCEWRRSA-N -1 0 404.264 3.299 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 ZINC000013696469 558856077 /nfs/dbraw/zinc/85/60/77/558856077.db2.gz BWUHQYIFKBERDK-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC000013696994 558856544 /nfs/dbraw/zinc/85/65/44/558856544.db2.gz INPFGBGPUGDWAJ-UHFFFAOYSA-N -1 0 406.891 3.449 50 0 HGAARM Cc1cc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)ccc1Cl ZINC000072414561 558891364 /nfs/dbraw/zinc/89/13/64/558891364.db2.gz SKVGTBMNBWPWRI-UHFFFAOYSA-N -1 0 416.933 3.462 50 0 HGAARM CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000033253664 558921966 /nfs/dbraw/zinc/92/19/66/558921966.db2.gz YKGIOVOKIWRQDP-UHFFFAOYSA-N -1 0 418.515 3.221 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000097940954 558945971 /nfs/dbraw/zinc/94/59/71/558945971.db2.gz XBMFEJFHFXZORU-UHFFFAOYSA-N -1 0 402.476 3.098 50 0 HGAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccc(C)cc2)CC4)cc1 ZINC000097942096 558947862 /nfs/dbraw/zinc/94/78/62/558947862.db2.gz UAPNTRZQJXHNCI-UHFFFAOYSA-N -1 0 414.465 3.205 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000002475175 559006826 /nfs/dbraw/zinc/00/68/26/559006826.db2.gz VXEXELOVDNBUNW-UHFFFAOYSA-N -1 0 409.514 3.053 50 0 HGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCCCc1nc2ccccc2[nH]1 ZINC000011486444 559078366 /nfs/dbraw/zinc/07/83/66/559078366.db2.gz DEUBZWLZAUHWSP-UHFFFAOYSA-N -1 0 421.476 3.171 50 0 HGAARM COc1cc(NC(=O)Cc2c3cc(C)ccc3n(C)c2C(=O)[O-])cc(OC)c1OC ZINC000004821774 559149927 /nfs/dbraw/zinc/14/99/27/559149927.db2.gz HUBYIDNXBXIWMX-UHFFFAOYSA-N -1 0 412.442 3.392 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)[n-]c2=O)cc1 ZINC000005154685 559254348 /nfs/dbraw/zinc/25/43/48/559254348.db2.gz YYNMCPVYCFAOMU-UHFFFAOYSA-N -1 0 416.890 3.149 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866790 559264322 /nfs/dbraw/zinc/26/43/22/559264322.db2.gz FYRDRWHCLLNEML-TVZGQMOCSA-N -1 0 403.475 3.437 50 0 HGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCS3(=O)=O)cc2)s1 ZINC000005250706 560551333 /nfs/dbraw/zinc/55/13/33/560551333.db2.gz XEQCQRYCRRLEIN-UHFFFAOYSA-N -1 0 400.547 3.041 50 0 HGAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1O ZINC000005346342 560570366 /nfs/dbraw/zinc/57/03/66/560570366.db2.gz GRGMRBLLHXVSTM-MHWRWJLKSA-N -1 0 412.423 3.156 50 0 HGAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000017208975 560704056 /nfs/dbraw/zinc/70/40/56/560704056.db2.gz BJKHFYAHOCZAGG-AWEZNQCLSA-N -1 0 402.451 3.161 50 0 HGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000007052167 560749425 /nfs/dbraw/zinc/74/94/25/560749425.db2.gz ADWPGZHMZFFNMI-UHFFFAOYSA-N -1 0 400.250 3.030 50 0 HGAARM Cc1cc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br ZINC000101260629 560789991 /nfs/dbraw/zinc/78/99/91/560789991.db2.gz ILDGNJMSYRLJCN-LSDHHAIUSA-N -1 0 403.211 3.394 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)cc1 ZINC000101272267 560790956 /nfs/dbraw/zinc/79/09/56/560790956.db2.gz WQBWYPVUBVVEAL-RBUKOAKNSA-N -1 0 416.441 3.155 50 0 HGAARM COc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723182 560799125 /nfs/dbraw/zinc/79/91/25/560799125.db2.gz XPJNNYRGFHRXEI-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccccc1OC ZINC000101835677 560803360 /nfs/dbraw/zinc/80/33/60/560803360.db2.gz SHAGYBCNXDAJBE-QGZVFWFLSA-N -1 0 420.425 3.136 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)c1 ZINC000101836206 560803550 /nfs/dbraw/zinc/80/35/50/560803550.db2.gz GASYRGSKLOYTTN-SFHVURJKSA-N -1 0 408.389 3.267 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccccc2I)cc1C(=O)[O-] ZINC000013348721 560804841 /nfs/dbraw/zinc/80/48/41/560804841.db2.gz OVTKPEOKKVJZNJ-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102479217 560811753 /nfs/dbraw/zinc/81/17/53/560811753.db2.gz BGGSKOLWADNMMD-QZTJIDSGSA-N -1 0 405.389 3.283 50 0 HGAARM CC1=C(CC(=O)NCC(=O)[O-])c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000102674490 560819587 /nfs/dbraw/zinc/81/95/87/560819587.db2.gz YHIPTYHDOZQZLO-RTXIIXAVSA-N -1 0 413.470 3.482 50 0 HGAARM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)C1 ZINC000102879011 560833550 /nfs/dbraw/zinc/83/35/50/560833550.db2.gz VCNFHAROFXRDBR-CZUORRHYSA-N -1 0 418.494 3.308 50 0 HGAARM O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000051316706 560856485 /nfs/dbraw/zinc/85/64/85/560856485.db2.gz WCVUVFYNKJDASI-UHFFFAOYSA-N -1 0 413.409 3.118 50 0 HGAARM O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1F ZINC000051316704 560856527 /nfs/dbraw/zinc/85/65/27/560856527.db2.gz DIAKJNWJSGCHIN-UHFFFAOYSA-N -1 0 413.409 3.118 50 0 HGAARM O=S(=O)([N-]c1ccc(I)cn1)c1ccc(Cl)s1 ZINC000006485646 560872495 /nfs/dbraw/zinc/87/24/95/560872495.db2.gz JTHGVNMGSTZTBP-UHFFFAOYSA-N -1 0 400.650 3.202 50 0 HGAARM COc1ccc([C@@H]2C(=C(O)c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 ZINC000013115519 560884730 /nfs/dbraw/zinc/88/47/30/560884730.db2.gz PKQPXAKKMPEKAN-MBOZVWFJSA-N -1 0 422.403 3.484 50 0 HGAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000046053390 568425384 /nfs/dbraw/zinc/42/53/84/568425384.db2.gz KFOUDABCTFTLGW-UHFFFAOYSA-N -1 0 402.472 3.478 50 0 HGAARM CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000046086192 568428082 /nfs/dbraw/zinc/42/80/82/568428082.db2.gz CKNGWGLNDWHJKW-ZDUSSCGKSA-N -1 0 424.320 3.167 50 0 HGAARM COc1cc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2)cc(OC)c1OC ZINC000000630568 568456335 /nfs/dbraw/zinc/45/63/35/568456335.db2.gz QKIWQADMRAWHEC-UHFFFAOYSA-N -1 0 401.444 3.137 50 0 HGAARM Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)c1 ZINC000000687558 568461672 /nfs/dbraw/zinc/46/16/72/568461672.db2.gz KPWOROZYVRMSLJ-UHFFFAOYSA-N -1 0 412.471 3.132 50 0 HGAARM COc1cc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc(OC)c1OC ZINC000000718644 568465907 /nfs/dbraw/zinc/46/59/07/568465907.db2.gz KWYRCMJZJUBVFA-MFKMUULPSA-N -1 0 401.341 3.267 50 0 HGAARM CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000095424403 568607517 /nfs/dbraw/zinc/60/75/17/568607517.db2.gz YTXHJXKMSCZKBG-INIZCTEOSA-N -1 0 403.500 3.232 50 0 HGAARM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095424042 568607575 /nfs/dbraw/zinc/60/75/75/568607575.db2.gz JALXXUQXGVIDDB-KRWDZBQOSA-N -1 0 415.852 3.458 50 0 HGAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000095463952 568622295 /nfs/dbraw/zinc/62/22/95/568622295.db2.gz ZTEPIOYFIDMFLO-INIZCTEOSA-N -1 0 407.513 3.066 50 0 HGAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2=O)s1 ZINC000020921982 568650985 /nfs/dbraw/zinc/65/09/85/568650985.db2.gz JXQMCQCJUAVMHB-UHFFFAOYSA-N -1 0 403.407 3.192 50 0 HGAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000021033259 568659408 /nfs/dbraw/zinc/65/94/08/568659408.db2.gz FOBUPFRQUBYTSM-UHFFFAOYSA-N -1 0 402.428 3.231 50 0 HGAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC(=O)Nc1cccc(Cl)c1)CC2 ZINC000021046074 568660346 /nfs/dbraw/zinc/66/03/46/568660346.db2.gz HBQWQMORLXGGLL-KRWDZBQOSA-N -1 0 418.877 3.370 50 0 HGAARM CC(C)(C)NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000095956592 568669691 /nfs/dbraw/zinc/66/96/91/568669691.db2.gz WYMUKFMPPFHOHL-UHFFFAOYSA-N -1 0 402.925 3.218 50 0 HGAARM O=C([O-])c1cc(F)c(Br)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 ZINC000096011302 568684056 /nfs/dbraw/zinc/68/40/56/568684056.db2.gz PAULGGGQYUGCEF-UHFFFAOYSA-N -1 0 410.167 3.365 50 0 HGAARM O=S(=O)([N-]c1ccncc1N1CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000096013527 568685446 /nfs/dbraw/zinc/68/54/46/568685446.db2.gz AIOYAOILVHCEHD-UHFFFAOYSA-N -1 0 401.467 3.198 50 0 HGAARM COC(=O)C[C@H](c1cnn(C)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115048 568694581 /nfs/dbraw/zinc/69/45/81/568694581.db2.gz QPZFSZUCTXMANN-OAHLLOKOSA-N -1 0 420.421 3.300 50 0 biogenic HGAARM O=S(=O)([N-]CCn1nc(-c2ccncc2)c2c1CCCC2)c1c(F)cccc1F ZINC000096121468 568699854 /nfs/dbraw/zinc/69/98/54/568699854.db2.gz NWVLEXFETVCWLL-UHFFFAOYSA-N -1 0 418.469 3.081 50 0 HGAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)s2)n[nH]1 ZINC000021531474 568711103 /nfs/dbraw/zinc/71/11/03/568711103.db2.gz WMZIETAYTYJYFF-UHFFFAOYSA-N -1 0 401.391 3.318 50 0 HGAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)s2)on1 ZINC000021540609 568713757 /nfs/dbraw/zinc/71/37/57/568713757.db2.gz RPUBDBYMIWXMAK-UHFFFAOYSA-N -1 0 424.456 3.008 50 0 HGAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000229884425 568715762 /nfs/dbraw/zinc/71/57/62/568715762.db2.gz CAKLGVMOEACNNO-PWRODBHTSA-N -1 0 401.422 3.141 50 0 HGAARM COc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000096361216 568739207 /nfs/dbraw/zinc/73/92/07/568739207.db2.gz AUCTVWLEJIKRNI-UHFFFAOYSA-N -1 0 406.851 3.125 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3OC)C2)cc1OC ZINC000000890335 568740823 /nfs/dbraw/zinc/74/08/23/568740823.db2.gz YWGDYGFXVUVWIQ-KRWDZBQOSA-N -1 0 412.442 3.255 50 0 HGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)cc1 ZINC000021702345 568741829 /nfs/dbraw/zinc/74/18/29/568741829.db2.gz VZSQJCSKCHTNSG-UHFFFAOYSA-N -1 0 404.473 3.435 50 0 HGAARM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000908265 568749766 /nfs/dbraw/zinc/74/97/66/568749766.db2.gz QNWWYQSOOHWUMD-UHFFFAOYSA-N -1 0 412.471 3.317 50 0 HGAARM COc1cccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(Cl)cc2)c1 ZINC000086066768 568755311 /nfs/dbraw/zinc/75/53/11/568755311.db2.gz PGWIKCZMZHOJOK-UHFFFAOYSA-N -1 0 423.860 3.235 50 0 HGAARM O=C([O-])[C@@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000000952021 568757193 /nfs/dbraw/zinc/75/71/93/568757193.db2.gz MMSQLYKMBQRQFM-IIAWOOMASA-N -1 0 411.460 3.125 50 0 HGAARM Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000021883963 568758293 /nfs/dbraw/zinc/75/82/93/568758293.db2.gz DEPFQFXAHOVIEZ-UHFFFAOYSA-N -1 0 403.529 3.386 50 0 HGAARM CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])csc2C1 ZINC000001016023 568763180 /nfs/dbraw/zinc/76/31/80/568763180.db2.gz ZPENMLJTAMWCIR-BPLDGKMQSA-N -1 0 404.532 3.327 50 0 HGAARM O=C([O-])CCCn1c(/C=C\c2csc(-c3ncccn3)n2)nc2ccccc2c1=O ZINC000096766498 568764554 /nfs/dbraw/zinc/76/45/54/568764554.db2.gz YNSFKMBQHJGFNA-HJWRWDBZSA-N -1 0 419.466 3.345 50 0 HGAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000001152057 568774611 /nfs/dbraw/zinc/77/46/11/568774611.db2.gz WGMHXIKFYOXRAO-CSKARUKUSA-N -1 0 415.511 3.436 50 0 HGAARM Cc1nn(C(F)F)c(C)c1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000002785498 568808747 /nfs/dbraw/zinc/80/87/47/568808747.db2.gz FMTVXDZYTFHNLS-UHFFFAOYSA-N -1 0 407.446 3.238 50 0 HGAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000003013965 568838351 /nfs/dbraw/zinc/83/83/51/568838351.db2.gz VDRBYVOXNZLNFT-UHFFFAOYSA-N -1 0 410.879 3.321 50 0 HGAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000003025626 568841460 /nfs/dbraw/zinc/84/14/60/568841460.db2.gz HWFQJBUUZLQYPC-AWEZNQCLSA-N -1 0 402.241 3.083 50 0 HGAARM COCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043721 568848221 /nfs/dbraw/zinc/84/82/21/568848221.db2.gz GISXATNOLIPMBT-UHFFFAOYSA-N -1 0 403.891 3.137 50 0 HGAARM COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012557075 568856236 /nfs/dbraw/zinc/85/62/36/568856236.db2.gz KOSGDADXGKBARA-UHFFFAOYSA-N -1 0 416.421 3.273 50 0 HGAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000003201309 568861439 /nfs/dbraw/zinc/86/14/39/568861439.db2.gz ZDPOBRPTAWHTMQ-AWEZNQCLSA-N -1 0 418.696 3.077 50 0 HGAARM COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012604593 568870820 /nfs/dbraw/zinc/87/08/20/568870820.db2.gz QYGSRPWQRZFSKV-UHFFFAOYSA-N -1 0 420.531 3.349 50 0 HGAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)ccc1F ZINC000012605415 568871037 /nfs/dbraw/zinc/87/10/37/568871037.db2.gz ZUAHDQAZROLVLD-UHFFFAOYSA-N -1 0 404.375 3.170 50 0 HGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000012630510 568883553 /nfs/dbraw/zinc/88/35/53/568883553.db2.gz DUXHITYUSVIPDQ-UHFFFAOYSA-N -1 0 405.220 3.487 50 0 HGAARM C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003534061 568913503 /nfs/dbraw/zinc/91/35/03/568913503.db2.gz XGLJTBQOJDUXHG-JTQLQIEISA-N -1 0 405.332 3.313 50 0 HGAARM C[C@@H](CC(=O)NCCc1ccc(Cl)cc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004148396 568916742 /nfs/dbraw/zinc/91/67/42/568916742.db2.gz MQPQOMUYDCTQOD-CQSZACIVSA-N -1 0 419.934 3.437 50 0 HGAARM CCC(=O)NC([N-]c1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F ZINC000004177323 568949071 /nfs/dbraw/zinc/94/90/71/568949071.db2.gz KNMNSGLVJXFYMG-UHFFFAOYSA-N -1 0 403.348 3.095 50 0 HGAARM Cc1sc2ncnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c2c1C ZINC000004278820 568958418 /nfs/dbraw/zinc/95/84/18/568958418.db2.gz XZKHYMXWJYKUIT-CQSZACIVSA-N -1 0 401.513 3.212 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000008214948 568982991 /nfs/dbraw/zinc/98/29/91/568982991.db2.gz BHQCQFFYRZLCQQ-LBOHCBQQSA-N -1 0 408.579 3.449 50 0 biogenic HGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1C ZINC000008289974 568987760 /nfs/dbraw/zinc/98/77/60/568987760.db2.gz ICAUQXVDYVYQBI-UHFFFAOYSA-N -1 0 411.483 3.129 50 0 HGAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)s1 ZINC000035176638 569002560 /nfs/dbraw/zinc/00/25/60/569002560.db2.gz URRPUHXDGMLPFE-UHFFFAOYSA-N -1 0 420.965 3.377 50 0 HGAARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc2s1 ZINC000015870027 569017144 /nfs/dbraw/zinc/01/71/44/569017144.db2.gz QBRRWQYATBPQPK-UHFFFAOYSA-N -1 0 421.500 3.463 50 0 HGAARM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227173530 569039977 /nfs/dbraw/zinc/03/99/77/569039977.db2.gz ULAGRRUPIPJJSS-QRWLVFNGSA-N -1 0 421.453 3.343 50 0 HGAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2 ZINC000006624293 569061087 /nfs/dbraw/zinc/06/10/87/569061087.db2.gz XSRLGERJVZYKHS-LEWJYISDSA-N -1 0 412.486 3.470 50 0 biogenic HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000006553595 569065580 /nfs/dbraw/zinc/06/55/80/569065580.db2.gz UGNGPLXVJRZLPY-UHFFFAOYSA-N -1 0 415.427 3.073 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000064557685 569066812 /nfs/dbraw/zinc/06/68/12/569066812.db2.gz HXQROEYSWXQPRW-RBUKOAKNSA-N -1 0 416.441 3.101 50 0 HGAARM CCCC[C@H](CC)CNC(=O)CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006656978 569082976 /nfs/dbraw/zinc/08/29/76/569082976.db2.gz IPNLFAHJMLYZTK-YOEHRIQHSA-N -1 0 400.548 3.467 50 0 HGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c(C)n1C ZINC000064863312 569111680 /nfs/dbraw/zinc/11/16/80/569111680.db2.gz LPHZQHGACBBLBI-UHFFFAOYSA-N -1 0 400.884 3.281 50 0 HGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2ccno2)cc1 ZINC000006887620 569170799 /nfs/dbraw/zinc/17/07/99/569170799.db2.gz IIMSFLSNUREPHH-UHFFFAOYSA-N -1 0 403.460 3.274 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1OC ZINC000006887653 569170824 /nfs/dbraw/zinc/17/08/24/569170824.db2.gz PXZHYFUXAXNKSM-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000065112457 569180577 /nfs/dbraw/zinc/18/05/77/569180577.db2.gz UESJLZAOKKPTPC-UHFFFAOYSA-N -1 0 418.544 3.269 50 0 HGAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cccc(C(=O)OC)c1 ZINC000065184020 569191053 /nfs/dbraw/zinc/19/10/53/569191053.db2.gz JFNURVOEAZDLTI-UHFFFAOYSA-N -1 0 408.505 3.064 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C3CC3)o2)c1 ZINC000065194167 569192656 /nfs/dbraw/zinc/19/26/56/569192656.db2.gz UILIFOIEAZJHLH-UHFFFAOYSA-N -1 0 402.476 3.379 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1Cl ZINC000065196126 569194467 /nfs/dbraw/zinc/19/44/67/569194467.db2.gz FVJWVQVAQZEASY-UHFFFAOYSA-N -1 0 400.909 3.116 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1 ZINC000065196262 569194560 /nfs/dbraw/zinc/19/45/60/569194560.db2.gz ZYZWZBCWHGLQSX-UHFFFAOYSA-N -1 0 406.529 3.242 50 0 HGAARM O=C(NCc1ccc(Cl)cc1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249881 569205939 /nfs/dbraw/zinc/20/59/39/569205939.db2.gz DIZKVIQUBILYHQ-UHFFFAOYSA-N -1 0 408.845 3.062 50 0 HGAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cnn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000065249950 569206008 /nfs/dbraw/zinc/20/60/08/569206008.db2.gz PLCSBPUSDHUZNP-UHFFFAOYSA-N -1 0 408.389 3.128 50 0 HGAARM CCn1ccc(-c2cc(C(=O)[O-])n3nc(C(F)(F)F)c(Br)c3n2)n1 ZINC000036615761 569207026 /nfs/dbraw/zinc/20/70/26/569207026.db2.gz IAFLYEAWIRPNAQ-UHFFFAOYSA-N -1 0 404.146 3.092 50 0 HGAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007051229 569213507 /nfs/dbraw/zinc/21/35/07/569213507.db2.gz CXUBJIXHJZMHLU-UHFFFAOYSA-N -1 0 404.366 3.353 50 0 HGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3F)C2)c1 ZINC000170615664 569247318 /nfs/dbraw/zinc/24/73/18/569247318.db2.gz MDGBFGCHEKTSNL-LJQANCHMSA-N -1 0 400.406 3.385 50 0 HGAARM O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000001165444 569277408 /nfs/dbraw/zinc/27/74/08/569277408.db2.gz IHXYZCZTCZHLAD-KRWDZBQOSA-N -1 0 413.543 3.485 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002099139 569281138 /nfs/dbraw/zinc/28/11/38/569281138.db2.gz YNEXZIKRUMLSIL-PBHICJAKSA-N -1 0 403.475 3.437 50 0 biogenic HGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)c(C)c2oc1=O ZINC000002156126 569290409 /nfs/dbraw/zinc/29/04/09/569290409.db2.gz PXQIAAFAJDPCNT-KXBFYZLASA-N -1 0 409.438 3.428 50 0 biogenic HGAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)[O-])s3)[C@@H](c3ccccc3)C2)cc1 ZINC000252493909 569290692 /nfs/dbraw/zinc/29/06/92/569290692.db2.gz NGHDDHMVLIPUQN-MSOLQXFVSA-N -1 0 409.467 3.319 50 0 HGAARM CCOC(=O)c1ccccc1OCc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC ZINC000002417153 569397434 /nfs/dbraw/zinc/39/74/34/569397434.db2.gz VZTDKGMQALZQHJ-LPHOPBHVSA-N -1 0 417.483 3.239 50 0 HGAARM CC[C@@H]1CCc2nc3sc(C(=O)NCC(=O)[O-])c(N)c3c(C(F)(F)F)c2C1 ZINC000012858030 569404097 /nfs/dbraw/zinc/40/40/97/569404097.db2.gz FEVRTWJJTBZBHO-SSDOTTSWSA-N -1 0 401.410 3.227 50 0 HGAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccco2)c1 ZINC000013124950 569409651 /nfs/dbraw/zinc/40/96/51/569409651.db2.gz COGNAULGWIVBOY-CXUHLZMHSA-N -1 0 420.377 3.116 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2s1 ZINC000013348820 569411086 /nfs/dbraw/zinc/41/10/86/569411086.db2.gz RDVBAOVYRJLBPU-UHFFFAOYSA-N -1 0 420.472 3.083 50 0 HGAARM COc1cc(OC)cc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CCC(=O)[O-])c1 ZINC000328598132 569416229 /nfs/dbraw/zinc/41/62/29/569416229.db2.gz KFSWKFQTLMFCNR-IBGZPJMESA-N -1 0 400.406 3.385 50 0 HGAARM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1 ZINC000079020392 569424207 /nfs/dbraw/zinc/42/42/07/569424207.db2.gz OKNHGEYBOYVXFA-UHFFFAOYSA-N -1 0 411.277 3.082 50 0 HGAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)c1 ZINC000079105817 569427708 /nfs/dbraw/zinc/42/77/08/569427708.db2.gz GNWIEALKMGYVBJ-UHFFFAOYSA-N -1 0 420.878 3.405 50 0 HGAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(=O)n12 ZINC000008594326 571087525 /nfs/dbraw/zinc/08/75/25/571087525.db2.gz WCHSYYWYGRBQMA-UHFFFAOYSA-N -1 0 403.407 3.192 50 0 HGAARM COc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1nnn(-c2ccccc2)c1C ZINC000039933086 571135061 /nfs/dbraw/zinc/13/50/61/571135061.db2.gz DRTGCIRYBJLWRT-UHFFFAOYSA-N -1 0 422.470 3.009 50 0 HGAARM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000040090977 571160922 /nfs/dbraw/zinc/16/09/22/571160922.db2.gz SWCOUVAQUBVYRS-UHFFFAOYSA-N -1 0 406.414 3.218 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1cccnc1 ZINC000008978682 571198142 /nfs/dbraw/zinc/19/81/42/571198142.db2.gz HIKZXZGLMKBDKU-UHFFFAOYSA-N -1 0 422.919 3.231 50 0 HGAARM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 ZINC000040267228 571214326 /nfs/dbraw/zinc/21/43/26/571214326.db2.gz URLVQRMMFIHXFA-INIZCTEOSA-N -1 0 405.410 3.163 50 0 HGAARM CCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccccc3nc21 ZINC000009109740 571222482 /nfs/dbraw/zinc/22/24/82/571222482.db2.gz NXZLRFPCVOCDCX-UHFFFAOYSA-N -1 0 409.471 3.364 50 0 HGAARM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000069516102 571228765 /nfs/dbraw/zinc/22/87/65/571228765.db2.gz XVIWOMOGWGNZNB-UHFFFAOYSA-N -1 0 404.488 3.436 50 0 HGAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 ZINC000009165916 571232694 /nfs/dbraw/zinc/23/26/94/571232694.db2.gz BSRHIUFZZXLPBY-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM CC[C@H](C(=O)Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1ccccc1 ZINC000009318540 571247803 /nfs/dbraw/zinc/24/78/03/571247803.db2.gz BELVPDMYGDBLTR-SFHVURJKSA-N -1 0 401.470 3.335 50 0 HGAARM O=C([O-])[C@H]1CC12CCN(C(=O)C1(c3cccc(Br)c3)CCOCC1)CC2 ZINC000069951959 571251338 /nfs/dbraw/zinc/25/13/38/571251338.db2.gz NDTJTHPBBJRHRG-MRXNPFEDSA-N -1 0 422.319 3.211 50 0 HGAARM O=S(=O)([N-]c1nccs1)c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000009373605 571252673 /nfs/dbraw/zinc/25/26/73/571252673.db2.gz DQAJNARSWRNARY-UHFFFAOYSA-N -1 0 418.569 3.473 50 0 HGAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684914 571279562 /nfs/dbraw/zinc/27/95/62/571279562.db2.gz KTKRXHFPTNAZRR-UHFFFAOYSA-N -1 0 417.531 3.271 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cn3ccccc3n2)c1 ZINC000009957457 571291617 /nfs/dbraw/zinc/29/16/17/571291617.db2.gz ZEEFNFIUJRVSDO-UHFFFAOYSA-N -1 0 422.466 3.396 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(O)cc1 ZINC000013720976 571306615 /nfs/dbraw/zinc/30/66/15/571306615.db2.gz UDZUVIQCSUAARY-UHFFFAOYSA-N -1 0 423.903 3.484 50 0 HGAARM CCC(Nc1ccc(OC)cc1OC)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000009089850 132335681 /nfs/dbraw/zinc/33/56/81/132335681.db2.gz BHGYQDSMUFBYGZ-XDJHFCHBSA-N -1 0 409.442 3.371 50 0 HGAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000044921016 522420782 /nfs/dbraw/zinc/42/07/82/522420782.db2.gz MAFCMPJKZMDPSB-UHFFFAOYSA-N -1 0 421.880 3.015 50 0 HGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000032924377 523570745 /nfs/dbraw/zinc/57/07/45/523570745.db2.gz JEPQPGBRHPPVBG-UHFFFAOYSA-N -1 0 423.473 3.070 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3cc(F)c(F)c(F)c3)cc2s1 ZINC000032101885 525229505 /nfs/dbraw/zinc/22/95/05/525229505.db2.gz LAMRTTPQJYKCOO-UHFFFAOYSA-N -1 0 401.391 3.337 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)n1 ZINC000000649940 557038411 /nfs/dbraw/zinc/03/84/11/557038411.db2.gz JMYLQFCAOCMVFA-NYYWCZLTSA-N -1 0 412.446 3.377 50 0 HGAARM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)ccc1OCC(=O)[O-] ZINC000000785236 557080066 /nfs/dbraw/zinc/08/00/66/557080066.db2.gz IUPYNJXRLXGGTB-JTQLQIEISA-N -1 0 400.456 3.248 50 0 HGAARM CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000846667 557099501 /nfs/dbraw/zinc/09/95/01/557099501.db2.gz KXVGYMYJXJMNJA-UHFFFAOYSA-N -1 0 401.469 3.399 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000000898196 557113758 /nfs/dbraw/zinc/11/37/58/557113758.db2.gz JBUNAWNJEZPQEB-UHFFFAOYSA-N -1 0 422.462 3.388 50 0 HGAARM CCOC(=O)[C@]([N-]c1nnc(C)s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002050068 557300594 /nfs/dbraw/zinc/30/05/94/557300594.db2.gz SITLEKIMAPBSRN-CQSZACIVSA-N -1 0 422.816 3.164 50 0 HGAARM CC(C)(C)OC(=O)N[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002564720 557356781 /nfs/dbraw/zinc/35/67/81/557356781.db2.gz AWCFKRJSLGKRNA-SFHVURJKSA-N -1 0 412.442 3.461 50 0 HGAARM CCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000002682871 557367525 /nfs/dbraw/zinc/36/75/25/557367525.db2.gz AETWQLXNBWWWKE-GFCCVEGCSA-N -1 0 412.726 3.284 50 0 HGAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NCCC2=CCCCC2)cc1 ZINC000002854712 557406650 /nfs/dbraw/zinc/40/66/50/557406650.db2.gz XFCWCMKEAUBOOT-UHFFFAOYSA-N -1 0 417.560 3.454 50 0 HGAARM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000004742449 557591127 /nfs/dbraw/zinc/59/11/27/557591127.db2.gz NJIAEWTXXNUKNU-UHFFFAOYSA-N -1 0 415.515 3.373 50 0 HGAARM CC1(C)C[C@@H](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)O1 ZINC000006057139 557685537 /nfs/dbraw/zinc/68/55/37/557685537.db2.gz CWKSBSKIIUPBMN-GFCCVEGCSA-N -1 0 423.516 3.004 50 0 HGAARM CCN(CC)C(=O)c1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000002767189 557759971 /nfs/dbraw/zinc/75/99/71/557759971.db2.gz HRCJAIVIUFVPCU-QWHCGFSZSA-N -1 0 424.519 3.155 50 0 HGAARM Cn1cc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)c(C(=O)[O-])n1 ZINC000002799605 557762383 /nfs/dbraw/zinc/76/23/83/557762383.db2.gz XTAMPDJUAQMBSY-UHFFFAOYSA-N -1 0 413.283 3.099 50 0 HGAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)nn(Cc2ccc(F)cc2Cl)c1C ZINC000002804895 557763817 /nfs/dbraw/zinc/76/38/17/557763817.db2.gz OFDASEIUTRISDO-UHFFFAOYSA-N -1 0 411.890 3.183 50 0 HGAARM CCOc1ccc2nc([N-][C@](NC(=O)CC)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009087770 557822375 /nfs/dbraw/zinc/82/23/75/557822375.db2.gz IAPUWMMVMPOVSB-OAHLLOKOSA-N -1 0 405.398 3.065 50 0 HGAARM CCc1nc2sc([C@@H](c3ccccc3F)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853618 557840293 /nfs/dbraw/zinc/84/02/93/557840293.db2.gz ITCXVQBXZMPUDN-MRXNPFEDSA-N -1 0 418.494 3.172 50 0 HGAARM CCc1nc2sc([C@H](c3ccccc3F)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853615 557840343 /nfs/dbraw/zinc/84/03/43/557840343.db2.gz ITCXVQBXZMPUDN-INIZCTEOSA-N -1 0 418.494 3.172 50 0 HGAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1nc2ccccc2s1 ZINC000004329609 558261207 /nfs/dbraw/zinc/26/12/07/558261207.db2.gz HAWKMCYTYIQZLY-UHFFFAOYSA-N -1 0 404.498 3.138 50 0 HGAARM CCCCCCc1c([O-])nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O ZINC000020100556 558331763 /nfs/dbraw/zinc/33/17/63/558331763.db2.gz QIFFGJNJFBUGMB-UHFFFAOYSA-N -1 0 417.575 3.485 50 0 HGAARM O=C([N-]S(=O)(=O)Oc1ccc(F)cc1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000012374585 558391433 /nfs/dbraw/zinc/39/14/33/558391433.db2.gz YMPHCNOHHJXAHL-UHFFFAOYSA-N -1 0 410.757 3.439 50 0 HGAARM CCOC(=O)[C@@]([N-]c1cc(C(F)(F)F)ccc1OC)(NC(=O)CC)C(F)(F)F ZINC000012418328 558402813 /nfs/dbraw/zinc/40/28/13/558402813.db2.gz YAMBZRYJSFHIAQ-CQSZACIVSA-N -1 0 416.318 3.474 50 0 HGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCC2 ZINC000021728979 558447122 /nfs/dbraw/zinc/44/71/22/558447122.db2.gz RBSBXFCHERQBOJ-UHFFFAOYSA-N -1 0 408.501 3.173 50 0 HGAARM CCN(CC)C(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccccc1 ZINC000013034573 558505421 /nfs/dbraw/zinc/50/54/21/558505421.db2.gz JUWUMUGJJXLMAX-UHFFFAOYSA-N -1 0 411.483 3.044 50 0 HGAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000023078170 558533506 /nfs/dbraw/zinc/53/35/06/558533506.db2.gz XWJPGLXJSJZMGO-HUUCEWRRSA-N -1 0 406.479 3.184 50 0 HGAARM C[S@@](=O)(=NS(=O)(=O)[N-]C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013466333 558533522 /nfs/dbraw/zinc/53/35/22/558533522.db2.gz JGZSGTFYXCJPOB-SANMLTNESA-N -1 0 421.422 3.229 50 0 HGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000013469676 558533752 /nfs/dbraw/zinc/53/37/52/558533752.db2.gz NHWSVAGUASKVBH-HZPDHXFCSA-N -1 0 418.446 3.232 50 0 HGAARM O=C(CN1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1)Nc1ccccc1Cl ZINC000023742210 558572987 /nfs/dbraw/zinc/57/29/87/558572987.db2.gz ZUUHTXGOGVONDL-UHFFFAOYSA-N -1 0 408.285 3.096 50 0 HGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000024435612 558597311 /nfs/dbraw/zinc/59/73/11/558597311.db2.gz QRGSEOZXDSPBPT-IYBDPMFKSA-N -1 0 418.515 3.136 50 0 HGAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCC3)c1)c1ccccc1Br ZINC000024426664 558597397 /nfs/dbraw/zinc/59/73/97/558597397.db2.gz ZWBYDJAJVSOHNM-UHFFFAOYSA-N -1 0 419.304 3.455 50 0 HGAARM O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c[nH]1)N1CCCC1 ZINC000026538125 558662777 /nfs/dbraw/zinc/66/27/77/558662777.db2.gz OTMBSLHOVATOQX-UHFFFAOYSA-N -1 0 404.879 3.253 50 0 HGAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cc(Br)ccc1Cl)C2=O ZINC000016000020 558766020 /nfs/dbraw/zinc/76/60/20/558766020.db2.gz RXBSGZVQFMRJBO-UHFFFAOYSA-N -1 0 414.687 3.248 50 0 HGAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017082484 558814572 /nfs/dbraw/zinc/81/45/72/558814572.db2.gz BDMVNYBTHTVSCW-XBFCOCLRSA-N -1 0 402.516 3.371 50 0 HGAARM Cc1ccc(-c2csc(NC(=O)CSCC(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017082895 558815238 /nfs/dbraw/zinc/81/52/38/558815238.db2.gz JFNVZMKGYPYALY-UHFFFAOYSA-N -1 0 404.513 3.372 50 0 HGAARM Cc1c(-n2c(=O)c3c4c(sc3[n-]c2=S)CCC4)c(=O)n(-c2ccccc2)n1C ZINC000017088568 558817346 /nfs/dbraw/zinc/81/73/46/558817346.db2.gz VTVVRDVJMAOSNW-UHFFFAOYSA-N -1 0 410.524 3.022 50 0 HGAARM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000004651258 558869551 /nfs/dbraw/zinc/86/95/51/558869551.db2.gz NGACVQIMNONRCX-MSOLQXFVSA-N -1 0 417.458 3.423 50 0 HGAARM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3OC)c2)no1 ZINC000033086436 558871012 /nfs/dbraw/zinc/87/10/12/558871012.db2.gz ORFPESZTGWGGGS-UHFFFAOYSA-N -1 0 403.460 3.425 50 0 HGAARM O=C([O-])c1cc(-c2cccc3ncccc32)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071774505 558911441 /nfs/dbraw/zinc/91/14/41/558911441.db2.gz GVQJYJUSFPEYMS-UHFFFAOYSA-N -1 0 414.508 3.338 50 0 HGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3C)CC2)c(C(=O)[O-])c1 ZINC000033252999 558921304 /nfs/dbraw/zinc/92/13/04/558921304.db2.gz FDEVDBXIALHPNN-UHFFFAOYSA-N -1 0 417.531 3.090 50 0 HGAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000021756823 558948295 /nfs/dbraw/zinc/94/82/95/558948295.db2.gz SPAMTPMXNYNEPD-UHFFFAOYSA-N -1 0 400.909 3.128 50 0 HGAARM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000004732607 559033319 /nfs/dbraw/zinc/03/33/19/559033319.db2.gz VCKUNPGRIZGMDA-UHFFFAOYSA-N -1 0 402.497 3.488 50 0 HGAARM O=S(=O)(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000098064883 559062629 /nfs/dbraw/zinc/06/26/29/559062629.db2.gz VGZJUWCPQNJXDM-JLHYYAGUSA-N -1 0 421.525 3.357 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1I ZINC000096305768 559109120 /nfs/dbraw/zinc/10/91/20/559109120.db2.gz NKHTTWGHYZGFAP-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM O=S(=O)([N-]c1nc(CN2CCCCCC2)cs1)c1ccc2c(c1)OCCCO2 ZINC000072296321 559111085 /nfs/dbraw/zinc/11/10/85/559111085.db2.gz KKWXUSPHGRGFGM-UHFFFAOYSA-N -1 0 423.560 3.481 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000100036871 559129089 /nfs/dbraw/zinc/12/90/89/559129089.db2.gz YNXOMGWSCCGCTE-WOJBJXKFSA-N -1 0 405.458 3.050 50 0 HGAARM Cn1c(=O)c(C(=O)Nc2ccc(I)cc2)c([O-])c2ccccc21 ZINC000100498492 559209791 /nfs/dbraw/zinc/20/97/91/559209791.db2.gz VMRTZMXLRGRFRF-UHFFFAOYSA-N -1 0 420.206 3.101 50 0 HGAARM COc1ccc(-n2c(CNC(=O)COc3ccc(Cl)cc3)n[n-]c2=S)cc1 ZINC000005128738 559249032 /nfs/dbraw/zinc/24/90/32/559249032.db2.gz LZSIDXHFSQLXFV-UHFFFAOYSA-N -1 0 404.879 3.287 50 0 HGAARM CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)[n-]2)cc1 ZINC000005154705 559254369 /nfs/dbraw/zinc/25/43/69/559254369.db2.gz XCLFAPRJRMJWCL-UHFFFAOYSA-N -1 0 410.499 3.058 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000011866833 559264352 /nfs/dbraw/zinc/26/43/52/559264352.db2.gz RTFQGEOOLBPWHU-TVZGQMOCSA-N -1 0 415.486 3.363 50 0 HGAARM Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238901399 559271725 /nfs/dbraw/zinc/27/17/25/559271725.db2.gz LZHDYJKVUJPAAS-BZUAXINKSA-N -1 0 401.459 3.184 50 0 biogenic HGAARM Cc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O ZINC000238901761 559271749 /nfs/dbraw/zinc/27/17/49/559271749.db2.gz MMUQSPGHDNRXTN-WKILWMFISA-N -1 0 401.459 3.104 50 0 biogenic HGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 ZINC000248147175 559275180 /nfs/dbraw/zinc/27/51/80/559275180.db2.gz SYOSDGZFNGWYFR-RDPSFJRHSA-N -1 0 419.481 3.270 50 0 HGAARM O=C([O-])c1cc(NC(=O)CCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1O ZINC000005347316 560570633 /nfs/dbraw/zinc/57/06/33/560570633.db2.gz QHMCLPNHDMELKT-MHWRWJLKSA-N -1 0 412.423 3.156 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000005497965 560598167 /nfs/dbraw/zinc/59/81/67/560598167.db2.gz SILXYWQSVVPELK-HZPDHXFCSA-N -1 0 403.895 3.449 50 0 HGAARM CC(C)(C)OC(=O)N1CCN(c2ccc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2)CC1 ZINC000409444149 560605587 /nfs/dbraw/zinc/60/55/87/560605587.db2.gz COAUXTZLFINWRG-UHFFFAOYSA-N -1 0 413.474 3.092 50 0 HGAARM O=S(=O)([N-]c1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(Cl)s1 ZINC000206846756 560749378 /nfs/dbraw/zinc/74/93/78/560749378.db2.gz MUBRQMNMSOUBBZ-LBPRGKRZSA-N -1 0 411.892 3.239 50 0 HGAARM Cc1cc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br ZINC000101260637 560789934 /nfs/dbraw/zinc/78/99/34/560789934.db2.gz ILDGNJMSYRLJCN-CABCVRRESA-N -1 0 403.211 3.394 50 0 HGAARM COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2I)cc1 ZINC000101354934 560792260 /nfs/dbraw/zinc/79/22/60/560792260.db2.gz CBAYGGJOHMBXSE-UHFFFAOYSA-N -1 0 423.206 3.080 50 0 HGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000101418135 560794800 /nfs/dbraw/zinc/79/48/00/560794800.db2.gz NHGMIWKDEYYEEG-LSDHHAIUSA-N -1 0 410.302 3.477 50 0 HGAARM COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495642 560796280 /nfs/dbraw/zinc/79/62/80/560796280.db2.gz SRZRANFWZQWWGQ-SFHVURJKSA-N -1 0 423.494 3.156 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCCc3cccs3)c([O-])c3cccnc32)c1 ZINC000101722452 560798812 /nfs/dbraw/zinc/79/88/12/560798812.db2.gz KNFPXEVKMBJEBQ-UHFFFAOYSA-N -1 0 421.478 3.134 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCc3cccs3)c([O-])c3cccnc32)c1 ZINC000101722473 560798891 /nfs/dbraw/zinc/79/88/91/560798891.db2.gz AMIUADFXLYQLRA-UHFFFAOYSA-N -1 0 407.451 3.091 50 0 HGAARM COc1ccc(CNC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000101723477 560799231 /nfs/dbraw/zinc/79/92/31/560799231.db2.gz PDEIVMPWFBSDPP-UHFFFAOYSA-N -1 0 401.422 3.030 50 0 HGAARM CC(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1 ZINC000101763147 560800880 /nfs/dbraw/zinc/80/08/80/560800880.db2.gz XWHKKHOZPPIPMN-QGZVFWFLSA-N -1 0 424.888 3.447 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(C)cc2)cc1 ZINC000101836410 560803697 /nfs/dbraw/zinc/80/36/97/560803697.db2.gz PXSSXJJDXOUHDK-IBGZPJMESA-N -1 0 404.426 3.436 50 0 HGAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)c1 ZINC000101893050 560804554 /nfs/dbraw/zinc/80/45/54/560804554.db2.gz IOYMHZUPECYPKB-IAGOWNOFSA-N -1 0 422.832 3.192 50 0 HGAARM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccccc1-c1nc(=O)c(-c2ccc(F)cc2)n[n-]1 ZINC000101894527 560804659 /nfs/dbraw/zinc/80/46/59/560804659.db2.gz RUDIHTBCSAYPHG-IYBDPMFKSA-N -1 0 418.428 3.318 50 0 HGAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000102479213 560811773 /nfs/dbraw/zinc/81/17/73/560811773.db2.gz BGGSKOLWADNMMD-ROUUACIJSA-N -1 0 405.389 3.283 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(C)cc2)c1 ZINC000102810636 560829337 /nfs/dbraw/zinc/82/93/37/560829337.db2.gz UUAPDGJQGRSTAA-LJQANCHMSA-N -1 0 404.426 3.436 50 0 HGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1Cl ZINC000101169229 560851225 /nfs/dbraw/zinc/85/12/25/560851225.db2.gz GXJBAEVXEWZFHZ-HZPDHXFCSA-N -1 0 405.241 3.495 50 0 HGAARM CC[C@H](C(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1)c1ccccc1 ZINC000101802000 560852197 /nfs/dbraw/zinc/85/21/97/560852197.db2.gz XIVPHTNIHYIPNO-IBGZPJMESA-N -1 0 401.470 3.453 50 0 HGAARM CN1C(=O)N[C@H](c2cccc(F)c2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139925 560890157 /nfs/dbraw/zinc/89/01/57/560890157.db2.gz RKDPVVPQUMMOQU-XJKCOSOUSA-N -1 0 402.369 3.333 50 0 HGAARM Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3)c([O-])c12 ZINC000049008045 568445073 /nfs/dbraw/zinc/44/50/73/568445073.db2.gz ILRZKLQJXNVGFS-UHFFFAOYSA-N -1 0 405.863 3.211 50 0 HGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCc1ccc(F)cc1F ZINC000049003413 568446425 /nfs/dbraw/zinc/44/64/25/568446425.db2.gz DJYOJVCYWUZUHW-UHFFFAOYSA-N -1 0 420.441 3.036 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000049422344 568450842 /nfs/dbraw/zinc/45/08/42/568450842.db2.gz TUAGTORCVWJZEF-IAGOWNOFSA-N -1 0 422.832 3.192 50 0 HGAARM Cc1c2ccc(NC(=O)CCn3[n-]c(=O)ccc3=O)cc2oc1C(=O)c1ccccc1 ZINC000012321284 568470664 /nfs/dbraw/zinc/47/06/64/568470664.db2.gz PHZJQCNDPQRHIC-UHFFFAOYSA-N -1 0 417.421 3.263 50 0 HGAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000755006 568472128 /nfs/dbraw/zinc/47/21/28/568472128.db2.gz XUQIHWGZLBKCMU-UHFFFAOYSA-N -1 0 418.862 3.192 50 0 HGAARM CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000000816420 568495431 /nfs/dbraw/zinc/49/54/31/568495431.db2.gz CPVXADQCQFVSSO-UHFFFAOYSA-N -1 0 403.412 3.417 50 0 HGAARM O=C([O-])COc1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)c2ccccc12 ZINC000095424932 568607738 /nfs/dbraw/zinc/60/77/38/568607738.db2.gz WBYCOJDOPCZQAC-UHFFFAOYSA-N -1 0 420.450 3.398 50 0 HGAARM O=C([O-])c1ccn(-c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2)n1 ZINC000095425269 568607934 /nfs/dbraw/zinc/60/79/34/568607934.db2.gz XZBVNWDCHGZVOW-UHFFFAOYSA-N -1 0 405.439 3.270 50 0 HGAARM CCO[C@H]1C[C@@](NC(=O)Nc2ccc(OC)c(OC(F)F)c2)(C(=O)[O-])C1(C)C ZINC000225487335 568642025 /nfs/dbraw/zinc/64/20/25/568642025.db2.gz GCJUEPRTSRRBOI-SCLBCKFNSA-N -1 0 402.394 3.077 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cnc4ccccc4n3)C2)cc1 ZINC000225507167 568644405 /nfs/dbraw/zinc/64/44/05/568644405.db2.gz MIWORZBLTHZGQE-FQEVSTJZSA-N -1 0 404.426 3.181 50 0 HGAARM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CCOCC2(CCC2)C1 ZINC000095940192 568661844 /nfs/dbraw/zinc/66/18/44/568661844.db2.gz VJKKUNRAZNHWLY-UHFFFAOYSA-N -1 0 406.529 3.192 50 0 HGAARM O=C([O-])CCCCCCNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000095970465 568671541 /nfs/dbraw/zinc/67/15/41/568671541.db2.gz BTMZTYRYQZTETJ-UHFFFAOYSA-N -1 0 403.500 3.425 50 0 HGAARM CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)C(=O)[O-] ZINC000095991856 568677749 /nfs/dbraw/zinc/67/77/49/568677749.db2.gz FNCCQQHRJUPGGY-LJQANCHMSA-N -1 0 412.486 3.070 50 0 HGAARM COc1cc(C2N=NC(=S)N2Cc2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000012389565 568692211 /nfs/dbraw/zinc/69/22/11/568692211.db2.gz RRGOFDHIAGHOLM-UHFFFAOYSA-N -1 0 401.444 3.006 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012420876 568720309 /nfs/dbraw/zinc/72/03/09/568720309.db2.gz FNPSQJCTYUWJFH-FQEVSTJZSA-N -1 0 404.426 3.181 50 0 HGAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000096361126 568738928 /nfs/dbraw/zinc/73/89/28/568738928.db2.gz VCOLLBDHEYGYDW-UHFFFAOYSA-N -1 0 406.414 3.358 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C)cc2F)cc1 ZINC000096361031 568739011 /nfs/dbraw/zinc/73/90/11/568739011.db2.gz NLEOTBAXIKOYDW-UHFFFAOYSA-N -1 0 418.450 3.227 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3OC)C2)cc1OC ZINC000000890334 568740876 /nfs/dbraw/zinc/74/08/76/568740876.db2.gz YWGDYGFXVUVWIQ-QGZVFWFLSA-N -1 0 412.442 3.255 50 0 HGAARM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000939841 568752723 /nfs/dbraw/zinc/75/27/23/568752723.db2.gz TXOUBGJHPFZQCW-UHFFFAOYSA-N -1 0 417.443 3.053 50 0 HGAARM O=C(NCc1cccc(F)c1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097161401 568768854 /nfs/dbraw/zinc/76/88/54/568768854.db2.gz RFIQXZJCLUHHKT-UHFFFAOYSA-N -1 0 417.444 3.097 50 0 HGAARM COc1ccc([C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C(C)C)cc1 ZINC000056326838 568801546 /nfs/dbraw/zinc/80/15/46/568801546.db2.gz NGOYDCHMFWJASJ-OAQYLSRUSA-N -1 0 406.486 3.205 50 0 HGAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Br)cc1F ZINC000057014548 568823340 /nfs/dbraw/zinc/82/33/40/568823340.db2.gz COQQIVDATBCMIK-UHFFFAOYSA-N -1 0 418.240 3.120 50 0 HGAARM O=C([O-])c1cccc2cccc(NC(=O)CSc3nnnn3-c3ccccc3)c21 ZINC000005861713 568826455 /nfs/dbraw/zinc/82/64/55/568826455.db2.gz RTYIPIAKADLESU-UHFFFAOYSA-N -1 0 405.439 3.245 50 0 HGAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c1 ZINC000012525791 568842841 /nfs/dbraw/zinc/84/28/41/568842841.db2.gz GGJJTXBMGSQQKI-UHFFFAOYSA-N -1 0 420.537 3.286 50 0 HGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000012561083 568858544 /nfs/dbraw/zinc/85/85/44/568858544.db2.gz QYNDGIQZHWXGCL-UHFFFAOYSA-N -1 0 421.327 3.235 50 0 HGAARM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000003285253 568872356 /nfs/dbraw/zinc/87/23/56/568872356.db2.gz RRPHWCFWBWPEBC-MRXNPFEDSA-N -1 0 411.863 3.011 50 0 HGAARM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])c2ccccc2oc1=O ZINC000217784322 568912135 /nfs/dbraw/zinc/91/21/35/568912135.db2.gz OJVWRVQUXVTQNY-CQSZACIVSA-N -1 0 414.410 3.219 50 0 biogenic HGAARM CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@@H](c1ccc(OC)c(O)c1)N(C)C2=O ZINC000003958609 568930529 /nfs/dbraw/zinc/93/05/29/568930529.db2.gz ALMUSAFRGODVHG-WOJBJXKFSA-N -1 0 415.442 3.193 50 0 HGAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)C1 ZINC000031821022 568933195 /nfs/dbraw/zinc/93/31/95/568933195.db2.gz PWFLZHDOOXMJNR-RDXCRGQUSA-N -1 0 401.463 3.075 50 0 HGAARM COC(=O)C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004674971 568934396 /nfs/dbraw/zinc/93/43/96/568934396.db2.gz LXJVMBVOJTVUMM-HUBLWGQQSA-N -1 0 400.258 3.381 50 0 HGAARM Cc1cccc(-c2nnc(S[C@H](C(N)=O)c3ccc(F)cc3)n2CCC(=O)[O-])c1 ZINC000012779068 568956365 /nfs/dbraw/zinc/95/63/65/568956365.db2.gz KSWOGTCNQYSMOF-KRWDZBQOSA-N -1 0 414.462 3.186 50 0 HGAARM COc1cccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](CC(=O)[O-])S3)c1 ZINC000008391805 568998538 /nfs/dbraw/zinc/99/85/38/568998538.db2.gz YYYPSNXASYOEMZ-MRXNPFEDSA-N -1 0 410.455 3.067 50 0 HGAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000006136340 569014175 /nfs/dbraw/zinc/01/41/75/569014175.db2.gz LOWOPBLAINIXGR-UHFFFAOYSA-N -1 0 401.444 3.394 50 0 HGAARM CCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000012893135 569020219 /nfs/dbraw/zinc/02/02/19/569020219.db2.gz MLKLTGDBJNTATL-LJQANCHMSA-N -1 0 404.463 3.244 50 0 HGAARM Cc1ccc(OCc2ccc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)o2)cc1 ZINC000012923090 569023288 /nfs/dbraw/zinc/02/32/88/569023288.db2.gz DWBRSGSAGDJQKA-QHCPKHFHSA-N -1 0 419.437 3.279 50 0 HGAARM Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccsc3C(=O)[O-])s2)cs1 ZINC000012923708 569023404 /nfs/dbraw/zinc/02/34/04/569023404.db2.gz IWMATSVNUPJGFY-UHFFFAOYSA-N -1 0 414.555 3.461 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000016101444 569028911 /nfs/dbraw/zinc/02/89/11/569028911.db2.gz WAPJDCGHHLWAJE-UHFFFAOYSA-N -1 0 406.204 3.315 50 0 HGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl ZINC000035378112 569034308 /nfs/dbraw/zinc/03/43/08/569034308.db2.gz BAKUKAYLNYHVNG-UHFFFAOYSA-N -1 0 405.863 3.290 50 0 HGAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c(C)s2)no1 ZINC000035539317 569043682 /nfs/dbraw/zinc/04/36/82/569043682.db2.gz ODNXHKJNBPVYRJ-UHFFFAOYSA-N -1 0 407.473 3.241 50 0 HGAARM CC(=O)N1c2ccccc2N=C(c2c([O-])[nH]c(=O)sc2=O)C[C@H]1c1ccc(C)o1 ZINC000035622687 569046587 /nfs/dbraw/zinc/04/65/87/569046587.db2.gz FMEHZMQZCDMMHU-HNNXBMFYSA-N -1 0 411.439 3.022 50 0 HGAARM CC(C)C(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001787001 569052984 /nfs/dbraw/zinc/05/29/84/569052984.db2.gz PPTQMIQRBWOHHQ-LBPRGKRZSA-N -1 0 412.726 3.140 50 0 HGAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690163 569070710 /nfs/dbraw/zinc/07/07/10/569070710.db2.gz JXXKXCCXVHPUAS-AHIWAGSCSA-N -1 0 402.520 3.266 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1OC ZINC000064947270 569129229 /nfs/dbraw/zinc/12/92/29/569129229.db2.gz HKRIOLFSPBHDEE-UHFFFAOYSA-N -1 0 405.451 3.446 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1OC ZINC000064979401 569140337 /nfs/dbraw/zinc/14/03/37/569140337.db2.gz NHOQITZZHIXCGJ-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006823595 569141355 /nfs/dbraw/zinc/14/13/55/569141355.db2.gz YEYPOJCXTMCCNW-UHFFFAOYSA-N -1 0 413.908 3.144 50 0 HGAARM O=C([O-])[C@@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000036360520 569151590 /nfs/dbraw/zinc/15/15/90/569151590.db2.gz JKKRBOBZGKWIHX-MGPUTAFESA-N -1 0 421.453 3.343 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c1 ZINC000006887670 569170779 /nfs/dbraw/zinc/17/07/79/569170779.db2.gz PEBQOQSCPUUPLQ-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)cc1Cl ZINC000065194107 569192626 /nfs/dbraw/zinc/19/26/26/569192626.db2.gz RMTQUJQDUMMSLO-UHFFFAOYSA-N -1 0 410.883 3.463 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c1 ZINC000065246413 569205516 /nfs/dbraw/zinc/20/55/16/569205516.db2.gz PUJPWLQCNMGVOZ-UHFFFAOYSA-N -1 0 405.432 3.415 50 0 HGAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246393 569205605 /nfs/dbraw/zinc/20/56/05/569205605.db2.gz TZPYVFIDQCCPFR-UHFFFAOYSA-N -1 0 403.416 3.169 50 0 HGAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)NCc2ccccc2Cl)c3[O-])c1 ZINC000065249924 569205941 /nfs/dbraw/zinc/20/59/41/569205941.db2.gz RRAVARVRRNLYAZ-UHFFFAOYSA-N -1 0 408.845 3.311 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2n(c1)CCN(CC(C)C)C2=O ZINC000065254817 569207528 /nfs/dbraw/zinc/20/75/28/569207528.db2.gz YXIWXEQQGQNPIR-UHFFFAOYSA-N -1 0 411.911 3.063 50 0 HGAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1 ZINC000007057561 569214511 /nfs/dbraw/zinc/21/45/11/569214511.db2.gz OGMRDIHSQUJZII-UHFFFAOYSA-N -1 0 404.385 3.482 50 0 HGAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000007428371 569238375 /nfs/dbraw/zinc/23/83/75/569238375.db2.gz XFYUCTUCLGTMLQ-UHFFFAOYSA-N -1 0 409.416 3.357 50 0 HGAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(C(C)=O)cc3s2)c(C)c1 ZINC000170609201 569244953 /nfs/dbraw/zinc/24/49/53/569244953.db2.gz CQJVDSGBYCJHTO-UHFFFAOYSA-N -1 0 404.469 3.395 50 0 HGAARM O=S(=O)([N-]Cc1ccnc(OC2CCCC2)c1)c1c(F)c(F)cc(F)c1F ZINC000170616477 569247431 /nfs/dbraw/zinc/24/74/31/569247431.db2.gz XYZRXPMMSOYLHO-UHFFFAOYSA-N -1 0 404.385 3.438 50 0 HGAARM O=S(=O)([N-]c1nnc(C(F)F)o1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000170617352 569248095 /nfs/dbraw/zinc/24/80/95/569248095.db2.gz SRCDZDVAVLYPCF-SNVBAGLBSA-N -1 0 423.825 3.409 50 0 HGAARM [O-]C(c1cccs1)=C1[C@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170623523 569249825 /nfs/dbraw/zinc/24/98/25/569249825.db2.gz STEYOCFEPKCBKG-HUBLWGQQSA-N -1 0 404.410 3.156 50 0 HGAARM Cc1cc([O-])c(C2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2)c(=O)o1 ZINC000170625865 569250309 /nfs/dbraw/zinc/25/03/09/569250309.db2.gz WJQYVGYJOBDDMB-ZDUSSCGKSA-N -1 0 401.220 3.122 50 0 HGAARM Cc1cccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)c1C ZINC000013576406 569256185 /nfs/dbraw/zinc/25/61/85/569256185.db2.gz COLJXPQBEGZVKH-BBVFFXRHSA-N -1 0 424.478 3.307 50 0 HGAARM O=C([C@@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696673 569257203 /nfs/dbraw/zinc/25/72/03/569257203.db2.gz IAIGRTVLIOOGAY-KRWDZBQOSA-N -1 0 406.891 3.209 50 0 HGAARM COc1ccccc1NC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000089616801 569261281 /nfs/dbraw/zinc/26/12/81/569261281.db2.gz HCHDJZLGQAOQLZ-UHFFFAOYSA-N -1 0 418.450 3.227 50 0 HGAARM CC1CCN(C(=O)CCc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)CC1 ZINC000016848459 569265443 /nfs/dbraw/zinc/26/54/43/569265443.db2.gz RVGBLYPITTXNDB-UHFFFAOYSA-N -1 0 411.524 3.274 50 0 HGAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000002087765 569279939 /nfs/dbraw/zinc/27/99/39/569279939.db2.gz GKLRJTHLBIOMDG-UHFFFAOYSA-N -1 0 406.438 3.472 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(=O)N1CCCCC1 ZINC000006707003 569280151 /nfs/dbraw/zinc/28/01/51/569280151.db2.gz NYVNCRIFAGINAL-UHFFFAOYSA-N -1 0 409.895 3.171 50 0 HGAARM CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002096210 569280928 /nfs/dbraw/zinc/28/09/28/569280928.db2.gz OPFBYXFAZQZKQP-MRXNPFEDSA-N -1 0 417.483 3.329 50 0 biogenic HGAARM Cc1c(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002098918 569281153 /nfs/dbraw/zinc/28/11/53/569281153.db2.gz VHXBSCKUGFAZDO-INIZCTEOSA-N -1 0 423.465 3.359 50 0 biogenic HGAARM O=C([O-])C1CCN(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1 ZINC000002114233 569284492 /nfs/dbraw/zinc/28/44/92/569284492.db2.gz XJLBKBJVCLOGFP-UHFFFAOYSA-N -1 0 407.422 3.162 50 0 biogenic HGAARM COC(=O)[C@](NNc1ccccc1)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000002270434 569326504 /nfs/dbraw/zinc/32/65/04/569326504.db2.gz MDZJHQJVHAAVDT-LJQANCHMSA-N -1 0 420.391 3.021 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000044123813 569358269 /nfs/dbraw/zinc/35/82/69/569358269.db2.gz ARWIWKBRNYMFJM-DBVUQKKJSA-N -1 0 412.486 3.140 50 0 HGAARM CCOC(=O)c1ccccc1OCc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC ZINC000002417152 569397439 /nfs/dbraw/zinc/39/74/39/569397439.db2.gz VZTDKGMQALZQHJ-VQIMIIECSA-N -1 0 417.483 3.239 50 0 HGAARM CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000008588128 571084218 /nfs/dbraw/zinc/08/42/18/571084218.db2.gz WSWNVAUQYMGQBI-OAHLLOKOSA-N -1 0 418.500 3.135 50 0 HGAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2nnn(-c3ccccc3)c2C)cc1 ZINC000039933087 571135198 /nfs/dbraw/zinc/13/51/98/571135198.db2.gz LRLFYGQETFUISL-UHFFFAOYSA-N -1 0 422.470 3.009 50 0 HGAARM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000040088144 571158731 /nfs/dbraw/zinc/15/87/31/571158731.db2.gz SACOPIIRJRGDLE-UHFFFAOYSA-N -1 0 406.414 3.218 50 0 HGAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2ccc(F)cc2)c1=O ZINC000009013451 571210800 /nfs/dbraw/zinc/21/08/00/571210800.db2.gz RBUQPRQQJVEJKH-FQEVSTJZSA-N -1 0 420.444 3.232 50 0 biogenic HGAARM CC[C@H](C(=O)Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21)c1ccccc1 ZINC000009317325 571247695 /nfs/dbraw/zinc/24/76/95/571247695.db2.gz CALYWOYBMROUOV-KRWDZBQOSA-N -1 0 403.442 3.129 50 0 HGAARM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000009319672 571247906 /nfs/dbraw/zinc/24/79/06/571247906.db2.gz DNESYSSFHXBOOA-UHFFFAOYSA-N -1 0 417.800 3.350 50 0 HGAARM CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O ZINC000009331927 571248855 /nfs/dbraw/zinc/24/88/55/571248855.db2.gz KWUIYOMYMPIQMR-NRFANRHFSA-N -1 0 420.513 3.191 50 0 biogenic HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)s1 ZINC000009354505 571250728 /nfs/dbraw/zinc/25/07/28/571250728.db2.gz WRBDAUAJSQHHNY-UHFFFAOYSA-N -1 0 418.500 3.162 50 0 HGAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000009646351 571276471 /nfs/dbraw/zinc/27/64/71/571276471.db2.gz RDROVZJFTOZYQF-UHFFFAOYSA-N -1 0 405.453 3.260 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c(OC)c1 ZINC000009684350 571279483 /nfs/dbraw/zinc/27/94/83/571279483.db2.gz CDNFHBRIQVFTEK-UHFFFAOYSA-N -1 0 421.519 3.076 50 0 HGAARM COc1ccccc1NC(=O)CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1 ZINC000009761981 571284691 /nfs/dbraw/zinc/28/46/91/571284691.db2.gz YWXMAQZMASYGEF-UHFFFAOYSA-N -1 0 411.892 3.191 50 0 HGAARM COc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828711 571309719 /nfs/dbraw/zinc/30/97/19/571309719.db2.gz OPFKKVVOBOLBKZ-UHFFFAOYSA-N -1 0 403.485 3.134 50 0 HGAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ncccc1O[C@H](C)c1ccccc1 ZINC000089512441 571310157 /nfs/dbraw/zinc/31/01/57/571310157.db2.gz XQOJQZCNWYMQMU-CYBMUJFWSA-N -1 0 406.895 3.718 50 0 HGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005099548 132301162 /nfs/dbraw/zinc/30/11/62/132301162.db2.gz ORGGSDBGZGRPTL-UHFFFAOYSA-N -1 0 400.500 3.494 50 0 HGAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(c2ccccn2)CC1 ZINC000020714718 132470766 /nfs/dbraw/zinc/47/07/66/132470766.db2.gz LFWCZRMWFOJKQU-SFHVURJKSA-N -1 0 415.291 3.273 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1 ZINC000045961623 524869559 /nfs/dbraw/zinc/86/95/59/524869559.db2.gz GZOSXARHPNCGKB-UHFFFAOYSA-N -1 0 410.517 3.192 50 0 HGAARM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1 ZINC000040286468 526893149 /nfs/dbraw/zinc/89/31/49/526893149.db2.gz BVYLIHISNXVONY-INIZCTEOSA-N -1 0 423.400 3.302 50 0 HGAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1ccc2c(c1)CCC2 ZINC000019814950 527054367 /nfs/dbraw/zinc/05/43/67/527054367.db2.gz RDNXBOYNIZAACD-UHFFFAOYSA-N -1 0 407.495 3.286 50 0 HGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000032106003 527657429 /nfs/dbraw/zinc/65/74/29/527657429.db2.gz RMSZLZDXAWVVIX-HXUWFJFHSA-N -1 0 421.453 3.343 50 0 HGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)c1C ZINC000000636847 557029784 /nfs/dbraw/zinc/02/97/84/557029784.db2.gz BUOXHDGFVUSDFT-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)no1 ZINC000000677127 557053517 /nfs/dbraw/zinc/05/35/17/557053517.db2.gz HSOMKMQGWAZGBT-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000000836001 557096418 /nfs/dbraw/zinc/09/64/18/557096418.db2.gz GTNFHFBENJWBTP-UHFFFAOYSA-N -1 0 400.435 3.286 50 0 HGAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000002841865 557401440 /nfs/dbraw/zinc/40/14/40/557401440.db2.gz DOUGLWLPVBRWPS-QZTJIDSGSA-N -1 0 408.454 3.482 50 0 HGAARM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002876519 557417193 /nfs/dbraw/zinc/41/71/93/557417193.db2.gz ZZPSPTFFOXUJIR-UHFFFAOYSA-N -1 0 409.316 3.092 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000002983158 557436236 /nfs/dbraw/zinc/43/62/36/557436236.db2.gz JMYSLURJHBHAHM-DYEBDLIZSA-N -1 0 414.461 3.270 50 0 biogenic HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccn2)c1 ZINC000010556754 557542364 /nfs/dbraw/zinc/54/23/64/557542364.db2.gz IZWBDILXFHCFCT-OAHLLOKOSA-N -1 0 411.483 3.382 50 0 HGAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(OC)cc1 ZINC000004690622 557581536 /nfs/dbraw/zinc/58/15/36/557581536.db2.gz IHPLQXHMBHEVED-UHFFFAOYSA-N -1 0 412.471 3.403 50 0 HGAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000004742362 557591122 /nfs/dbraw/zinc/59/11/22/557591122.db2.gz SQOXHROIDXXLHS-CQSZACIVSA-N -1 0 412.508 3.047 50 0 HGAARM CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)NC1=S ZINC000004754390 557593132 /nfs/dbraw/zinc/59/31/32/557593132.db2.gz WBGCEFSMDLRXAN-DHDCSXOGSA-N -1 0 402.859 3.305 50 0 HGAARM CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794498 557598328 /nfs/dbraw/zinc/59/83/28/557598328.db2.gz LFHIOOBWQJBUPB-PWIZWCRZSA-N -1 0 412.486 3.140 50 0 HGAARM CC(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004899633 557611235 /nfs/dbraw/zinc/61/12/35/557611235.db2.gz IDBQTOJMHIZVEK-QFIPXVFZSA-N -1 0 416.477 3.074 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)no1 ZINC000004914258 557613403 /nfs/dbraw/zinc/61/34/03/557613403.db2.gz MDXWEMYGHQJMFA-AWEZNQCLSA-N -1 0 401.444 3.190 50 0 HGAARM O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1O ZINC000004949439 557616331 /nfs/dbraw/zinc/61/63/31/557616331.db2.gz JSWIPTCAKADIAK-UJKMTWAASA-N -1 0 411.413 3.487 50 0 HGAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C)nn(Cc2ccc(F)cc2Cl)c1C ZINC000002804597 557763548 /nfs/dbraw/zinc/76/35/48/557763548.db2.gz SCKJBCFTEKRTJT-UHFFFAOYSA-N -1 0 411.890 3.481 50 0 HGAARM COCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000002969738 557774936 /nfs/dbraw/zinc/77/49/36/557774936.db2.gz MNZKWQPKANYRJR-UHFFFAOYSA-N -1 0 403.891 3.137 50 0 HGAARM CCN1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)OC)cc3)c3cccc(c23)C1=O ZINC000008715841 557801528 /nfs/dbraw/zinc/80/15/28/557801528.db2.gz RMTCDVNGKPNBIY-UHFFFAOYSA-N -1 0 410.451 3.407 50 0 HGAARM CN(C)c1ccc(-c2c3c(nc4nc5[n-]ncn5c(=O)c42)-c2ccccc2CC3)cc1 ZINC000008717082 557801891 /nfs/dbraw/zinc/80/18/91/557801891.db2.gz VVVPMSUOMGXMAR-UHFFFAOYSA-N -1 0 408.465 3.464 50 0 HGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(c2ccccn2)CC1 ZINC000020714722 558400925 /nfs/dbraw/zinc/40/09/25/558400925.db2.gz LFWCZRMWFOJKQU-GOSISDBHSA-N -1 0 415.291 3.273 50 0 HGAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000004354686 558440113 /nfs/dbraw/zinc/44/01/13/558440113.db2.gz KLVINLMJTRQVSO-UNOMPAQXSA-N -1 0 406.417 3.372 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)c1 ZINC000021663171 558444956 /nfs/dbraw/zinc/44/49/56/558444956.db2.gz LDEMPIZSIOISNZ-UHFFFAOYSA-N -1 0 415.496 3.335 50 0 HGAARM COc1ccccc1NC(=O)N1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000004382846 558484209 /nfs/dbraw/zinc/48/42/09/558484209.db2.gz NJVYYVFAPRZKOG-UHFFFAOYSA-N -1 0 408.433 3.099 50 0 HGAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc(C(F)(F)F)n3C)c12 ZINC000013394599 558531440 /nfs/dbraw/zinc/53/14/40/558531440.db2.gz KXKQCRLGGNMVEA-UHFFFAOYSA-N -1 0 404.395 3.036 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2sccc21 ZINC000013416609 558532143 /nfs/dbraw/zinc/53/21/43/558532143.db2.gz HYGHBLNECXVOTN-OAHLLOKOSA-N -1 0 412.496 3.077 50 0 HGAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)O1 ZINC000023078220 558533476 /nfs/dbraw/zinc/53/34/76/558533476.db2.gz OPAGWOZMFNGUMQ-VXGBXAGGSA-N -1 0 414.936 3.452 50 0 HGAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)N1CCSCC1 ZINC000013570328 558541976 /nfs/dbraw/zinc/54/19/76/558541976.db2.gz FXCCZJSIZJJCJI-UHFFFAOYSA-N -1 0 419.553 3.286 50 0 HGAARM O=C([O-])c1cc(O)ccc1NC(=O)CCN1C(=O)S/C(=C\c2cccs2)C1=O ZINC000013574796 558543208 /nfs/dbraw/zinc/54/32/08/558543208.db2.gz GGMJGWNITMLLIV-ZROIWOOFSA-N -1 0 418.452 3.217 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1NC(C)=O ZINC000024437842 558597386 /nfs/dbraw/zinc/59/73/86/558597386.db2.gz XPAOMMYJAJOOKC-UHFFFAOYSA-N -1 0 404.366 3.353 50 0 HGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000024450104 558597750 /nfs/dbraw/zinc/59/77/50/558597750.db2.gz PWJHKWWASXEXEH-UHFFFAOYSA-N -1 0 415.475 3.244 50 0 HGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000013898302 558600786 /nfs/dbraw/zinc/60/07/86/558600786.db2.gz BRLYXEAUPKZQMA-VGOFMYFVSA-N -1 0 421.222 3.356 50 0 HGAARM O=C(CSc1nc(=O)[n-]c(Cc2ccc(Cl)cc2)n1)Nc1ccccc1F ZINC000027643397 558677467 /nfs/dbraw/zinc/67/74/67/558677467.db2.gz AWHFPHLGBPCLFU-UHFFFAOYSA-N -1 0 404.854 3.279 50 0 HGAARM Cc1ccc(NC(=O)CSc2nc(=O)[n-]c(Cc3ccc(Cl)cc3)n2)cc1 ZINC000027643391 558677556 /nfs/dbraw/zinc/67/75/56/558677556.db2.gz DXFVNDYRZQSPQZ-UHFFFAOYSA-N -1 0 400.891 3.448 50 0 HGAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 ZINC000030531490 558731711 /nfs/dbraw/zinc/73/17/11/558731711.db2.gz UXVBWKPZYLIMFM-GOSISDBHSA-N -1 0 411.483 3.462 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000015933634 558762761 /nfs/dbraw/zinc/76/27/61/558762761.db2.gz CEXBJCNSMRGXMZ-HNNXBMFYSA-N -1 0 424.906 3.058 50 0 HGAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004580878 558766891 /nfs/dbraw/zinc/76/68/91/558766891.db2.gz RVXPZTWLZOPVLS-MRXNPFEDSA-N -1 0 403.431 3.057 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 ZINC000000754688 558774262 /nfs/dbraw/zinc/77/42/62/558774262.db2.gz ZNSVVWJYIMWDNX-UHFFFAOYSA-N -1 0 410.451 3.116 50 0 HGAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000001196160 558775992 /nfs/dbraw/zinc/77/59/92/558775992.db2.gz YMEFQHIBTGUERL-UHFFFAOYSA-N -1 0 424.478 3.424 50 0 HGAARM CCOC(=O)C1CCN([C@H](c2cccs2)c2sc3nc(CC)nn3c2[O-])CC1 ZINC000004584766 558780317 /nfs/dbraw/zinc/78/03/17/558780317.db2.gz YMCOMMGUPURAHT-OAHLLOKOSA-N -1 0 420.560 3.485 50 0 HGAARM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000036293948 558798956 /nfs/dbraw/zinc/79/89/56/558798956.db2.gz NJVPJBMOTUQITQ-OAQYLSRUSA-N -1 0 411.479 3.336 50 0 HGAARM C[C@@H](NC(=S)N[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000017082812 558815094 /nfs/dbraw/zinc/81/50/94/558815094.db2.gz AEHPAMDKSLBARU-SNVBAGLBSA-N -1 0 404.344 3.412 50 0 HGAARM CC(=O)NSC[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000055161814 558874797 /nfs/dbraw/zinc/87/47/97/558874797.db2.gz HGTPWTMTIZBBPZ-IBGZPJMESA-N -1 0 414.483 3.105 50 0 HGAARM CON(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000058191881 558910745 /nfs/dbraw/zinc/91/07/45/558910745.db2.gz DONHIOSUMUNGLW-UHFFFAOYSA-N -1 0 413.293 3.192 50 0 HGAARM CC(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071788287 558911940 /nfs/dbraw/zinc/91/19/40/558911940.db2.gz HPXGLFPXINBZFY-NRFANRHFSA-N -1 0 410.470 3.285 50 0 HGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cc(C)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033253009 558921282 /nfs/dbraw/zinc/92/12/82/558921282.db2.gz KTDYTSZCPMOLKB-UHFFFAOYSA-N -1 0 417.531 3.090 50 0 HGAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)c1 ZINC000097940817 558946665 /nfs/dbraw/zinc/94/66/65/558946665.db2.gz HQJWCWJGENHEIU-UHFFFAOYSA-N -1 0 414.487 3.405 50 0 HGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)COC)CCC2 ZINC000021756861 558948545 /nfs/dbraw/zinc/94/85/45/558948545.db2.gz PDZNAGMEWWPHRO-UHFFFAOYSA-N -1 0 418.515 3.120 50 0 HGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000023126517 559014335 /nfs/dbraw/zinc/01/43/35/559014335.db2.gz FMEDRQKPBODNSC-RBUKOAKNSA-N -1 0 416.441 3.353 50 0 HGAARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000033344022 559064974 /nfs/dbraw/zinc/06/49/74/559064974.db2.gz KVOKWVVCBRCYSZ-GHXNOFRVSA-N -1 0 422.622 3.472 50 0 HGAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240888 559067877 /nfs/dbraw/zinc/06/78/77/559067877.db2.gz KFWAIHSKQIHKSC-UHFFFAOYSA-N -1 0 422.481 3.191 50 0 HGAARM CCOC(=O)c1c([O-])c2cc(Br)cnc2n(Cc2ccccc2)c1=O ZINC000100128861 559130188 /nfs/dbraw/zinc/13/01/88/559130188.db2.gz UOVURXKDFKMEGR-UHFFFAOYSA-N -1 0 403.232 3.090 50 0 HGAARM O=C([O-])[C@@]12CCC(=O)N1c1ccccc1-c1nc(C34CC5CC(CC(C5)C3)C4)nn12 ZINC000408525790 559215674 /nfs/dbraw/zinc/21/56/74/559215674.db2.gz KGVUECRNOMRAEW-QJASLXROSA-N -1 0 404.470 3.291 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)cc1 ZINC000038487657 559256553 /nfs/dbraw/zinc/25/65/53/559256553.db2.gz VZACLBIXFOITGF-IAGOWNOFSA-N -1 0 422.832 3.192 50 0 HGAARM Cc1oc2cc(OCC(=O)NCCC(=O)[O-])ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000011866045 559264008 /nfs/dbraw/zinc/26/40/08/559264008.db2.gz WIVPMGBXAVTKRL-UHFFFAOYSA-N -1 0 415.829 3.392 50 0 HGAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238899937 559271572 /nfs/dbraw/zinc/27/15/72/559271572.db2.gz HHKTXOYKEWXTQP-WKILWMFISA-N -1 0 415.486 3.440 50 0 biogenic HGAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3OC)c2)nn1 ZINC000005204278 560538470 /nfs/dbraw/zinc/53/84/70/560538470.db2.gz BGWCUGNYQRPCAK-UHFFFAOYSA-N -1 0 403.435 3.491 50 0 HGAARM CCOC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C ZINC000006365710 560560403 /nfs/dbraw/zinc/56/04/03/560560403.db2.gz WLEBLPUTTFOJHL-UHFFFAOYSA-N -1 0 411.487 3.311 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)c(OC)c2)c(OC)c1 ZINC000005329952 560565719 /nfs/dbraw/zinc/56/57/19/560565719.db2.gz JLBWFWLMZWNPAN-UHFFFAOYSA-N -1 0 420.487 3.030 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H]2CCCO2)cc1 ZINC000017208841 560704061 /nfs/dbraw/zinc/70/40/61/560704061.db2.gz VRANFUKUUGPJMY-OAHLLOKOSA-N -1 0 414.487 3.030 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000101270436 560790958 /nfs/dbraw/zinc/79/09/58/560790958.db2.gz RKHXTOIPRPEOCH-SFTDATJTSA-N -1 0 419.485 3.106 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000101270438 560790969 /nfs/dbraw/zinc/79/09/69/560790969.db2.gz RKHXTOIPRPEOCH-LEWJYISDSA-N -1 0 419.485 3.106 50 0 HGAARM Cc1ccc(NC(=O)c2nnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000101353385 560792167 /nfs/dbraw/zinc/79/21/67/560792167.db2.gz MEEJLTUHELLUDW-MRXNPFEDSA-N -1 0 409.833 3.476 50 0 HGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000101418141 560794783 /nfs/dbraw/zinc/79/47/83/560794783.db2.gz NHGMIWKDEYYEEG-HUUCEWRRSA-N -1 0 410.302 3.477 50 0 HGAARM COc1ccc(CNC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1 ZINC000101722643 560798901 /nfs/dbraw/zinc/79/89/01/560798901.db2.gz NDANDBIUOWLMPR-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM COc1ccccc1NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722874 560799026 /nfs/dbraw/zinc/79/90/26/560799026.db2.gz GCMZBARSQUELIK-UHFFFAOYSA-N -1 0 401.422 3.411 50 0 HGAARM COc1ccc(C)cc1NC(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1 ZINC000051316692 560856433 /nfs/dbraw/zinc/85/64/33/560856433.db2.gz LVFOYPZMWNWBAP-UHFFFAOYSA-N -1 0 421.482 3.157 50 0 HGAARM CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854259 568415655 /nfs/dbraw/zinc/41/56/55/568415655.db2.gz SATGLZWFZZAGBH-CQSZACIVSA-N -1 0 412.437 3.499 50 0 HGAARM COc1cc(C=CC(=O)Oc2ccc(N3CC(=O)N=C3[O-])cc2)ccc1OC(C)C ZINC000048290493 568435265 /nfs/dbraw/zinc/43/52/65/568435265.db2.gz PVACARFDFAIDCM-VZUCSPMQSA-N -1 0 410.426 3.157 50 0 HGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(Cn2cc(Br)cn2)o1 ZINC000095425161 568607783 /nfs/dbraw/zinc/60/77/83/568607783.db2.gz YRQDBMHNGONAEN-UHFFFAOYSA-N -1 0 418.247 3.257 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000095424587 568607810 /nfs/dbraw/zinc/60/78/10/568607810.db2.gz YKLOBJBTMGFKPN-LJQANCHMSA-N -1 0 417.421 3.439 50 0 HGAARM O=C([O-])c1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000095958212 568669611 /nfs/dbraw/zinc/66/96/11/568669611.db2.gz OFXPIJIMNXHZOP-UHFFFAOYSA-N -1 0 418.540 3.228 50 0 HGAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000095969922 568671357 /nfs/dbraw/zinc/67/13/57/568671357.db2.gz MVBPDKUCNKECAJ-FQEVSTJZSA-N -1 0 405.454 3.096 50 0 HGAARM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1cc(F)c(Cl)cc1F ZINC000095979085 568674190 /nfs/dbraw/zinc/67/41/90/568674190.db2.gz YCPWJUHRPKOVLV-UHFFFAOYSA-N -1 0 406.197 3.038 50 0 HGAARM COc1ccc([C@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000225849708 568680545 /nfs/dbraw/zinc/68/05/45/568680545.db2.gz BGMFOBRPYJRPDG-LJQANCHMSA-N -1 0 412.442 3.255 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000000849908 568711130 /nfs/dbraw/zinc/71/11/30/568711130.db2.gz KFEXLDHFIBTCOI-HRZAVBMWSA-N -1 0 413.404 3.461 50 0 HGAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 ZINC000000852572 568712586 /nfs/dbraw/zinc/71/25/86/568712586.db2.gz ZEQGTGAITQKBHL-UHFFFAOYSA-N -1 0 413.451 3.146 50 0 HGAARM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000685944919 568722731 /nfs/dbraw/zinc/72/27/31/568722731.db2.gz IGQNDNHOEVYVSD-CVEARBPZSA-N -1 0 422.481 3.237 50 0 HGAARM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000241587930 568731582 /nfs/dbraw/zinc/73/15/82/568731582.db2.gz OYFKKZAPHYAAMJ-LLVKDONJSA-N -1 0 407.332 3.009 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2Cl)cc1 ZINC000096361252 568739183 /nfs/dbraw/zinc/73/91/83/568739183.db2.gz FYEBLYZFNMBTGU-UHFFFAOYSA-N -1 0 404.879 3.102 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000096361177 568739209 /nfs/dbraw/zinc/73/92/09/568739209.db2.gz SZRWHPXDFRKFIG-UHFFFAOYSA-N -1 0 418.450 3.309 50 0 HGAARM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1O ZINC000086056947 568753814 /nfs/dbraw/zinc/75/38/14/568753814.db2.gz FIBITIDXEWAWKD-AWEZNQCLSA-N -1 0 409.467 3.251 50 0 HGAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c(=O)n21 ZINC000021883978 568758304 /nfs/dbraw/zinc/75/83/04/568758304.db2.gz GCKPOMAWTVDAJW-UHFFFAOYSA-N -1 0 403.460 3.466 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)NC1CCCCC1 ZINC000001002414 568762190 /nfs/dbraw/zinc/76/21/90/568762190.db2.gz VMZJCARHDHMOJI-UHFFFAOYSA-N -1 0 409.899 3.385 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000097161450 568769162 /nfs/dbraw/zinc/76/91/62/568769162.db2.gz RLUMDMXVROEXDP-UHFFFAOYSA-N -1 0 400.460 3.015 50 0 HGAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578010 568770233 /nfs/dbraw/zinc/77/02/33/568770233.db2.gz HFVFERNNPALZEV-MRXNPFEDSA-N -1 0 405.955 3.439 50 0 HGAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCCc1nc2ccccc2s1 ZINC000002623005 568788342 /nfs/dbraw/zinc/78/83/42/568788342.db2.gz UAKYSNKJQPSVJL-UHFFFAOYSA-N -1 0 412.467 3.127 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3sc(=O)oc3c(Cl)c2)c1 ZINC000003653709 568866470 /nfs/dbraw/zinc/86/64/70/568866470.db2.gz FRWGQKGJWZXYIV-UHFFFAOYSA-N -1 0 401.849 3.326 50 0 HGAARM CC(C)C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000004024219 568877976 /nfs/dbraw/zinc/87/79/76/568877976.db2.gz NXIQQCXHXSVYNY-LJQANCHMSA-N -1 0 409.438 3.454 50 0 biogenic HGAARM Cc1ccc(-c2nc(C)c(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)s2)o1 ZINC000031227839 568919762 /nfs/dbraw/zinc/91/97/62/568919762.db2.gz ZJIDIILNLMOONL-FQEVSTJZSA-N -1 0 410.455 3.132 50 0 HGAARM O=C(Nc1nc[nH]n1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012727322 568920997 /nfs/dbraw/zinc/92/09/97/568920997.db2.gz KKALNLMXTMFBQI-UHFFFAOYSA-N -1 0 412.258 3.165 50 0 HGAARM COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)[O-])cc2)C(=O)[C@]31C ZINC000004073490 568937940 /nfs/dbraw/zinc/93/79/40/568937940.db2.gz FCLKCJJMGRWDDZ-QFIPXVFZSA-N -1 0 405.410 3.115 50 0 biogenic HGAARM CS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F ZINC000012775099 568953878 /nfs/dbraw/zinc/95/38/78/568953878.db2.gz IIPNSZRCBAMHRO-UHFFFAOYSA-N -1 0 413.279 3.305 50 0 HGAARM Cc1nc(-c2ccccc2)sc1C(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000012777779 568956033 /nfs/dbraw/zinc/95/60/33/568956033.db2.gz MXFLLYVPBZSNNZ-OAQYLSRUSA-N -1 0 406.467 3.231 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cc1Cl ZINC000015671382 568961749 /nfs/dbraw/zinc/96/17/49/568961749.db2.gz BYEKLPWDNRLEBL-UHFFFAOYSA-N -1 0 413.286 3.443 50 0 HGAARM COc1cccc(CCC(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c1OC ZINC000007986626 568964895 /nfs/dbraw/zinc/96/48/95/568964895.db2.gz ZXLNHDWKDOUFLS-UHFFFAOYSA-N -1 0 401.415 3.135 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c(OC)c1 ZINC000015730608 568981180 /nfs/dbraw/zinc/98/11/80/568981180.db2.gz CDCALYGWRIJINV-NSHDSACASA-N -1 0 408.501 3.185 50 0 HGAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000015731481 568981889 /nfs/dbraw/zinc/98/18/89/568981889.db2.gz XGKGTJBVBRNTGT-UHFFFAOYSA-N -1 0 404.394 3.324 50 0 HGAARM CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)ccc2s1 ZINC000015870133 569017179 /nfs/dbraw/zinc/01/71/79/569017179.db2.gz SKHDAUKQLVQRSV-UHFFFAOYSA-N -1 0 418.500 3.322 50 0 HGAARM O=C([O-])c1sccc1S(=O)(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012916265 569022591 /nfs/dbraw/zinc/02/25/91/569022591.db2.gz GUGTWVQGDZVLPJ-UHFFFAOYSA-N -1 0 423.512 3.008 50 0 HGAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]n2cc(-c3ccccc3)[nH]c2=S)cc1 ZINC000006206774 569033103 /nfs/dbraw/zinc/03/31/03/569033103.db2.gz DZDKLXWZEGKLGK-UHFFFAOYSA-N -1 0 403.485 3.322 50 0 HGAARM CCc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000090584144 569041316 /nfs/dbraw/zinc/04/13/16/569041316.db2.gz SQANDRNQYUTZFO-UHFFFAOYSA-N -1 0 423.542 3.166 50 0 HGAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)OC)c1 ZINC000006650187 569080512 /nfs/dbraw/zinc/08/05/12/569080512.db2.gz WBBQXTRHUJQCGN-UHFFFAOYSA-N -1 0 414.277 3.435 50 0 HGAARM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)ccc3OC)ccc21 ZINC000064861882 569110543 /nfs/dbraw/zinc/11/05/43/569110543.db2.gz BFTGGCMCOFJBHB-UHFFFAOYSA-N -1 0 403.504 3.287 50 0 HGAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000006770242 569116163 /nfs/dbraw/zinc/11/61/63/569116163.db2.gz PRWPHYKMELVVDO-RTWAWAEBSA-N -1 0 419.485 3.359 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c1 ZINC000006866565 569159252 /nfs/dbraw/zinc/15/92/52/569159252.db2.gz VHJBJTYNMPIEDU-ZDUSSCGKSA-N -1 0 416.499 3.192 50 0 HGAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2C)s1 ZINC000065183565 569191108 /nfs/dbraw/zinc/19/11/08/569191108.db2.gz YKHVHSWAVSTZFR-UHFFFAOYSA-N -1 0 401.311 3.279 50 0 HGAARM CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006975399 569192346 /nfs/dbraw/zinc/19/23/46/569192346.db2.gz NLRDPCCBTRBUAE-UHFFFAOYSA-N -1 0 417.439 3.338 50 0 HGAARM COc1cccc(-c2noc(-c3c([O-])c4cnn(Cc5ccccc5)c4[nH]c3=O)n2)c1 ZINC000065256923 569208544 /nfs/dbraw/zinc/20/85/44/569208544.db2.gz ASGJAVNAHXDWHK-UHFFFAOYSA-N -1 0 415.409 3.204 50 0 HGAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(OC)c3ccccc32)cc2c(=O)[nH]nc1-2 ZINC000524733508 569213773 /nfs/dbraw/zinc/21/37/73/569213773.db2.gz PLJJZVHNUWOQGO-KRWDZBQOSA-N -1 0 421.409 3.101 50 0 HGAARM O=C(Cn1nc(-c2cccc3ccccc32)ccc1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238924263 569228298 /nfs/dbraw/zinc/22/82/98/569228298.db2.gz RMZBFTXUMFPUPF-SAABIXHNSA-N -1 0 419.481 3.071 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000170606246 569244401 /nfs/dbraw/zinc/24/44/01/569244401.db2.gz DKIBZSQDFYLQFW-SNVBAGLBSA-N -1 0 403.248 3.033 50 0 HGAARM COc1cccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CCC(=O)[O-])c1 ZINC000170612601 569246520 /nfs/dbraw/zinc/24/65/20/569246520.db2.gz LOQCYBGOHNHWNB-LJQANCHMSA-N -1 0 412.442 3.255 50 0 HGAARM CCOc1cc(NS(=O)(=O)c2cccc(N(C)C)c2)c(C(=O)[O-])cc1OCC ZINC000170616529 569247452 /nfs/dbraw/zinc/24/74/52/569247452.db2.gz WCECCRHUCHLSMG-UHFFFAOYSA-N -1 0 408.476 3.049 50 0 HGAARM O=S(=O)([N-]c1nnc(C(F)F)o1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000170617351 569248060 /nfs/dbraw/zinc/24/80/60/569248060.db2.gz SRCDZDVAVLYPCF-JTQLQIEISA-N -1 0 423.825 3.409 50 0 HGAARM O=S(=O)([N-]c1cnc(Cl)cn1)c1cc(Cl)c(Br)cc1F ZINC000170617528 569248107 /nfs/dbraw/zinc/24/81/07/569248107.db2.gz MLOWTJKIZVVIKZ-UHFFFAOYSA-N -1 0 401.044 3.486 50 0 HGAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000013787015 569257626 /nfs/dbraw/zinc/25/76/26/569257626.db2.gz HYTFHNLHXLUEAP-UHFFFAOYSA-N -1 0 403.464 3.225 50 0 HGAARM Cc1c2ccc(OCC(=O)NCCCC(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002103553 569281678 /nfs/dbraw/zinc/28/16/78/569281678.db2.gz XEHXBPXBCPSHIV-UHFFFAOYSA-N -1 0 409.438 3.052 50 0 biogenic HGAARM CCCC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002105366 569282971 /nfs/dbraw/zinc/28/29/71/569282971.db2.gz WTWUMCLAIXHOQK-BBRMVZONSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002115984 569284641 /nfs/dbraw/zinc/28/46/41/569284641.db2.gz SIFHZYJZURFFSS-URBQWANRSA-N -1 0 424.497 3.470 50 0 biogenic HGAARM CCSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002122001 569285509 /nfs/dbraw/zinc/28/55/09/569285509.db2.gz VHATXJKTYVRTBY-MRXNPFEDSA-N -1 0 417.483 3.411 50 0 biogenic HGAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccs1 ZINC000002210151 569297149 /nfs/dbraw/zinc/29/71/49/569297149.db2.gz VTCQHCGUMUMPHW-UHFFFAOYSA-N -1 0 424.554 3.132 50 0 HGAARM COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)CCC(=O)[O-])nn32)cc1 ZINC000002256908 569326378 /nfs/dbraw/zinc/32/63/78/569326378.db2.gz LCNZAUCAPFHYBC-GOSISDBHSA-N -1 0 419.441 3.146 50 0 HGAARM Cc1nn(-c2ccccc2)c(C)c1/C=C1/c2ccccc2C(=O)N(CC(=O)[O-])C1=O ZINC000008848668 569390530 /nfs/dbraw/zinc/39/05/30/569390530.db2.gz ACNUXWGAASZPTN-NDENLUEZSA-N -1 0 401.422 3.097 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002411795 569396962 /nfs/dbraw/zinc/39/69/62/569396962.db2.gz PCEPHLOWQYNIIO-SFHVURJKSA-N -1 0 421.419 3.233 50 0 HGAARM CCOC(=O)c1ccccc1OCc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC ZINC000002417154 569397406 /nfs/dbraw/zinc/39/74/06/569397406.db2.gz VZTDKGMQALZQHJ-QFBILLFUSA-N -1 0 417.483 3.239 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000012664364 569402726 /nfs/dbraw/zinc/40/27/26/569402726.db2.gz CJTXEFHQAZFYBT-IWEFOYFVSA-N -1 0 419.909 3.052 50 0 biogenic HGAARM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000079066351 569426595 /nfs/dbraw/zinc/42/65/95/569426595.db2.gz XJIICKFOASBXGO-UHFFFAOYSA-N -1 0 408.863 3.274 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC000040267183 571214041 /nfs/dbraw/zinc/21/40/41/571214041.db2.gz QQNCUHFXAACJOJ-AZUAARDMSA-N -1 0 424.888 3.416 50 0 HGAARM CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000009058884 571217001 /nfs/dbraw/zinc/21/70/01/571217001.db2.gz FBMDKKDRJAZDRG-UHFFFAOYSA-N -1 0 418.453 3.060 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000009152004 571230730 /nfs/dbraw/zinc/23/07/30/571230730.db2.gz BBUMDFHGUMYZQC-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009170047 571233646 /nfs/dbraw/zinc/23/36/46/571233646.db2.gz GDPZKQDHJDEUJC-UHFFFAOYSA-N -1 0 418.515 3.494 50 0 HGAARM CCc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)sc1C ZINC000009217080 571237521 /nfs/dbraw/zinc/23/75/21/571237521.db2.gz KTWPBYBBVSCTJD-UHFFFAOYSA-N -1 0 402.501 3.462 50 0 HGAARM COc1ccc(OCc2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)cc1 ZINC000009578619 571270029 /nfs/dbraw/zinc/27/00/29/571270029.db2.gz MVCXCDOTENGGBT-CQSZACIVSA-N -1 0 416.484 3.129 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1 ZINC000009684251 571279328 /nfs/dbraw/zinc/27/93/28/571279328.db2.gz LWDDANURSFTNGM-UHFFFAOYSA-N -1 0 411.911 3.330 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)s2)on1 ZINC000009688908 571280167 /nfs/dbraw/zinc/28/01/67/571280167.db2.gz NJJROSTXPYJGEF-UHFFFAOYSA-N -1 0 422.440 3.109 50 0 HGAARM Cc1c(-c2ccc(F)cc2)nn2c1ncc(C(=O)Nc1cccc(C(=O)[O-])c1)c2N ZINC000071279184 571290299 /nfs/dbraw/zinc/29/02/99/571290299.db2.gz MOMZIMFVIIZIPN-UHFFFAOYSA-N -1 0 405.389 3.377 50 0 HGAARM CCOC(=O)c1ccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccccc3)c2=O)cc1 ZINC000010166772 571295719 /nfs/dbraw/zinc/29/57/19/571295719.db2.gz IHVKQCMLAMYPGG-UHFFFAOYSA-N -1 0 416.437 3.451 50 0 HGAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2c(F)cccc2Cl)c3=O)cc1C ZINC000010252057 571298352 /nfs/dbraw/zinc/29/83/52/571298352.db2.gz VXEMNPZUDFWNJD-UHFFFAOYSA-N -1 0 411.824 3.375 50 0 HGAARM O=C([O-])[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000428019843 939145952 /nfs/dbraw/zinc/14/59/52/939145952.db2.gz GDBFPAAJYVHBSY-LJQANCHMSA-N -1 0 410.451 3.043 50 0 HGAARM CC(NCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000006292630 533417850 /nfs/dbraw/zinc/41/78/50/533417850.db2.gz INCKWWHYGYEPNS-FOWTUZBSSA-N -1 0 414.259 3.096 50 0 HGAARM CC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000006420763 533418023 /nfs/dbraw/zinc/41/80/23/533418023.db2.gz FUHRNSVDZIHDFT-HMMYKYKNSA-N -1 0 402.454 3.165 50 0 HGAARM Cc1ccc2nc(N3CCN(C(=O)CCC(=O)[O-])CC3)nc(-c3ccccc3)c2c1 ZINC000004937471 132296614 /nfs/dbraw/zinc/29/66/14/132296614.db2.gz BMXHBXKMOZSMBV-UHFFFAOYSA-N -1 0 404.470 3.119 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)cc1 ZINC000032950929 521131531 /nfs/dbraw/zinc/13/15/31/521131531.db2.gz DLAYDEMKIVWLEB-UHFFFAOYSA-N -1 0 400.460 3.170 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000032971126 525077550 /nfs/dbraw/zinc/07/75/50/525077550.db2.gz JQLVJIZECWHGMS-AWEZNQCLSA-N -1 0 404.488 3.431 50 0 HGAARM Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(=O)[n-]2)c(C)c1 ZINC000032836345 525084031 /nfs/dbraw/zinc/08/40/31/525084031.db2.gz JIFYMJDPFWHOSR-UHFFFAOYSA-N -1 0 424.482 3.363 50 0 HGAARM O=C(NC1=NCCS1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000024759944 527480296 /nfs/dbraw/zinc/48/02/96/527480296.db2.gz FBRDTFMGQLFXFT-UHFFFAOYSA-N -1 0 401.922 3.035 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000000675876 557052624 /nfs/dbraw/zinc/05/26/24/557052624.db2.gz UEZLDYLKMCHPTP-UHFFFAOYSA-N -1 0 402.863 3.492 50 0 HGAARM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)c1 ZINC000000786447 557080402 /nfs/dbraw/zinc/08/04/02/557080402.db2.gz JMWQMWUDFMDSOF-UHFFFAOYSA-N -1 0 417.464 3.018 50 0 HGAARM COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)c(F)c2)CC1 ZINC000022626354 557093148 /nfs/dbraw/zinc/09/31/48/557093148.db2.gz JMODRUYKZNTBLX-OAHLLOKOSA-N -1 0 422.457 3.057 50 0 HGAARM COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000917375 557117832 /nfs/dbraw/zinc/11/78/32/557117832.db2.gz WTJDHZLVAAKBIE-UHFFFAOYSA-N -1 0 403.485 3.134 50 0 HGAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1C ZINC000000938801 557120854 /nfs/dbraw/zinc/12/08/54/557120854.db2.gz XKRPVXCCINRLOM-IBGZPJMESA-N -1 0 400.500 3.376 50 0 HGAARM CCOc1ccc(NC(=O)[C@@H](C)O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000001013293 557142487 /nfs/dbraw/zinc/14/24/87/557142487.db2.gz HZXKIPYATPPCIX-CQSZACIVSA-N -1 0 414.483 3.359 50 0 HGAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1cccnc1 ZINC000001041556 557153750 /nfs/dbraw/zinc/15/37/50/557153750.db2.gz GAIWPVTYCYLGDP-LEWJYISDSA-N -1 0 402.406 3.376 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1 ZINC000001176492 557227807 /nfs/dbraw/zinc/22/78/07/557227807.db2.gz VPVAUQGWIUPQSO-UHFFFAOYSA-N -1 0 416.890 3.420 50 0 HGAARM CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000001230942 557249405 /nfs/dbraw/zinc/24/94/05/557249405.db2.gz WUJNARCUQGULAV-UHFFFAOYSA-N -1 0 424.482 3.349 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000001446329 557266606 /nfs/dbraw/zinc/26/66/06/557266606.db2.gz ZFLJYPCTGLQGNP-OLZOCXBDSA-N -1 0 403.328 3.349 50 0 HGAARM CCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002226122 557328800 /nfs/dbraw/zinc/32/88/00/557328800.db2.gz WGGJZFWFBMILTL-UHFFFAOYSA-N -1 0 400.489 3.257 50 0 HGAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764355 557461406 /nfs/dbraw/zinc/46/14/06/557461406.db2.gz MNYOJYNYAFYNQU-UHFFFAOYSA-N -1 0 406.486 3.323 50 0 HGAARM CCOc1ccc(-c2nnc(CCC(=O)NCC3CCCCC3)c(=O)[n-]2)cc1OC ZINC000034766347 557462394 /nfs/dbraw/zinc/46/23/94/557462394.db2.gz ABZTUIINEOEZLN-UHFFFAOYSA-N -1 0 414.506 3.281 50 0 HGAARM COc1cc(C=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000004723858 557586895 /nfs/dbraw/zinc/58/68/95/557586895.db2.gz NWNJHZSTJXLLBV-UHFFFAOYSA-N -1 0 412.179 3.390 50 0 HGAARM C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000004742366 557591183 /nfs/dbraw/zinc/59/11/83/557591183.db2.gz SQOXHROIDXXLHS-AWEZNQCLSA-N -1 0 412.508 3.047 50 0 HGAARM CC(C)COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCC(=O)[O-])cc1 ZINC000004755736 557593772 /nfs/dbraw/zinc/59/37/72/557593772.db2.gz RRTSWCLFKOYWAB-UYRXBGFRSA-N -1 0 414.458 3.066 50 0 HGAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)[C@H](C(=O)[O-])C1 ZINC000004994037 557622551 /nfs/dbraw/zinc/62/25/51/557622551.db2.gz ILIGCSVGXRKHMZ-VQTJNVASSA-N -1 0 407.470 3.397 50 0 HGAARM CCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1 ZINC000005047502 557629720 /nfs/dbraw/zinc/62/97/20/557629720.db2.gz KDDJLVLQCHVUNJ-ZQIUZPCESA-N -1 0 414.405 3.251 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)n1 ZINC000002709362 557744757 /nfs/dbraw/zinc/74/47/57/557744757.db2.gz HQYDSZFKVSIWRK-RMKNXTFCSA-N -1 0 400.485 3.299 50 0 HGAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2c(F)cccc2Cl)cc1Cl ZINC000002804754 557763593 /nfs/dbraw/zinc/76/35/93/557763593.db2.gz FVFYSKKHHTYFKK-UHFFFAOYSA-N -1 0 418.281 3.220 50 0 HGAARM CC1CCC(NC(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000002975260 557776827 /nfs/dbraw/zinc/77/68/27/557776827.db2.gz IVLNSTCITWXTNU-UHFFFAOYSA-N -1 0 403.504 3.263 50 0 HGAARM CCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Br ZINC000008845849 557811908 /nfs/dbraw/zinc/81/19/08/557811908.db2.gz OCZLOXFTBCNLLE-UHFFFAOYSA-N -1 0 400.250 3.347 50 0 HGAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000008974281 557817035 /nfs/dbraw/zinc/81/70/35/557817035.db2.gz WDFLPZGRUIEFJD-KRWDZBQOSA-N -1 0 424.404 3.355 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)cc1 ZINC000021663152 558445003 /nfs/dbraw/zinc/44/50/03/558445003.db2.gz IAXSMICFVGFALG-UHFFFAOYSA-N -1 0 415.496 3.335 50 0 HGAARM CCC(C)(C)C1CCC(NC(=O)CSc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)CC1 ZINC000012997076 558498867 /nfs/dbraw/zinc/49/88/67/558498867.db2.gz NUZXYMGPNQQXMV-UHFFFAOYSA-N -1 0 423.579 3.299 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3F)cc2)nc(C)n1 ZINC000013135504 558521023 /nfs/dbraw/zinc/52/10/23/558521023.db2.gz OHADKMNJNFUGAH-UHFFFAOYSA-N -1 0 414.462 3.215 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3oc(=O)ccc3c1)O[C@H](C)C2 ZINC000023015757 558530539 /nfs/dbraw/zinc/53/05/39/558530539.db2.gz UDCNJJMBXGKOPZ-GFCCVEGCSA-N -1 0 401.440 3.316 50 0 HGAARM COc1ccc(C(=O)NC(=C([O-])c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000027016132 558668332 /nfs/dbraw/zinc/66/83/32/558668332.db2.gz VFQINABXNBLYHI-JOCHJYFZSA-N -1 0 409.463 3.108 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000029192947 558711674 /nfs/dbraw/zinc/71/16/74/558711674.db2.gz CSWMNXKKNFYONL-UHFFFAOYSA-N -1 0 400.456 3.330 50 0 HGAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)C1=O ZINC000030036100 558726700 /nfs/dbraw/zinc/72/67/00/558726700.db2.gz SRQJDWSBDBCRCA-HXUWFJFHSA-N -1 0 410.817 3.107 50 0 HGAARM CCOc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccc(F)cc2)cc1 ZINC000015837363 558756209 /nfs/dbraw/zinc/75/62/09/558756209.db2.gz KWJYYJOVTOFGFT-UHFFFAOYSA-N -1 0 415.446 3.207 50 0 HGAARM CC(C)c1noc(CCCNS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)n1 ZINC000072307548 558767562 /nfs/dbraw/zinc/76/75/62/558767562.db2.gz JTWHEUKMKYUQFS-UHFFFAOYSA-N -1 0 412.874 3.445 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1OC(F)F ZINC000016050956 558771010 /nfs/dbraw/zinc/77/10/10/558771010.db2.gz GMNLVVWOLPBHDU-UHFFFAOYSA-N -1 0 420.397 3.131 50 0 HGAARM CSc1ccccc1[N-]C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016238286 558780281 /nfs/dbraw/zinc/78/02/81/558780281.db2.gz NHFBOOVQMSJOAD-UHFFFAOYSA-N -1 0 423.585 3.238 50 0 HGAARM C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000017082059 558814017 /nfs/dbraw/zinc/81/40/17/558814017.db2.gz ALJZFJJSEDYGNM-ZDUSSCGKSA-N -1 0 400.547 3.112 50 0 HGAARM COc1ccc(Cl)cc1NC(=S)N[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000017083349 558815928 /nfs/dbraw/zinc/81/59/28/558815928.db2.gz XYOQJXOREMAHIM-UHFFFAOYSA-N -1 0 406.316 3.182 50 0 HGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017088457 558817159 /nfs/dbraw/zinc/81/71/59/558817159.db2.gz REZKBKSKZSIOGA-VKYMVXLJSA-N -1 0 410.436 3.491 50 0 HGAARM O=C([O-])c1ccc(CNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 ZINC000049544706 558849999 /nfs/dbraw/zinc/84/99/99/558849999.db2.gz GZRKMGPHTFTWGV-UHFFFAOYSA-N -1 0 413.433 3.078 50 0 HGAARM Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000058432506 558926610 /nfs/dbraw/zinc/92/66/10/558926610.db2.gz QFXMMXHQFVNLFH-UHFFFAOYSA-N -1 0 414.277 3.330 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000097940947 558946038 /nfs/dbraw/zinc/94/60/38/558946038.db2.gz NFQOHXOUTVTKAR-UHFFFAOYSA-N -1 0 402.476 3.098 50 0 HGAARM Cn1cc(-c2nnc([N-]S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)o2)cn1 ZINC000097117132 558996052 /nfs/dbraw/zinc/99/60/52/558996052.db2.gz PFLMPKRDLFETCU-UHFFFAOYSA-N -1 0 418.504 3.178 50 0 HGAARM C[C@H](Oc1ccccc1)C(=O)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097151777 558997361 /nfs/dbraw/zinc/99/73/61/558997361.db2.gz DEHFJLXZFQRMGV-INIZCTEOSA-N -1 0 414.465 3.042 50 0 HGAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000023125737 559013768 /nfs/dbraw/zinc/01/37/68/559013768.db2.gz QIUYJCCOYOOSHH-CVEARBPZSA-N -1 0 415.247 3.264 50 0 HGAARM O=C(CCCn1c(=S)[n-]c2c3ccccc3sc2c1=O)NC[C@H]1CCCO1 ZINC000004793191 559065845 /nfs/dbraw/zinc/06/58/45/559065845.db2.gz ZHZOSYMGWYNMKZ-GFCCVEGCSA-N -1 0 403.529 3.349 50 0 HGAARM O=C(NCCCN1CCCCCC1=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000060795207 559067539 /nfs/dbraw/zinc/06/75/39/559067539.db2.gz HFAPGXQEQBEAAQ-UHFFFAOYSA-N -1 0 424.423 3.119 50 0 HGAARM O=C([O-])c1cccc(-n2nc([C@@H]3CCOC3)nc2Cc2c(F)ccc(F)c2F)c1 ZINC000096131696 559095510 /nfs/dbraw/zinc/09/55/10/559095510.db2.gz SBVKQENIIKVZKG-GFCCVEGCSA-N -1 0 403.360 3.478 50 0 HGAARM CCCC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC000098087295 559126807 /nfs/dbraw/zinc/12/68/07/559126807.db2.gz UJRWOTKNFKYDQM-GVVDHYSOSA-N -1 0 414.546 3.189 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000100033076 559128849 /nfs/dbraw/zinc/12/88/49/559128849.db2.gz AVYDVNCKZDPXGU-UXHICEINSA-N -1 0 405.458 3.050 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3cccc(F)c3)cs2)cc1 ZINC000011693246 559187458 /nfs/dbraw/zinc/18/74/58/559187458.db2.gz XCMLOHVSIJAGCG-UHFFFAOYSA-N -1 0 407.448 3.344 50 0 HGAARM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)c1 ZINC000004884901 559196771 /nfs/dbraw/zinc/19/67/71/559196771.db2.gz AUCDWGDOKCJDOE-UHFFFAOYSA-N -1 0 415.471 3.031 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000004951616 559215870 /nfs/dbraw/zinc/21/58/70/559215870.db2.gz DZRAAHBJOQKMQX-UHFFFAOYSA-N -1 0 400.504 3.388 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000005154702 559254326 /nfs/dbraw/zinc/25/43/26/559254326.db2.gz ZIYUWXDZMDSGGY-UHFFFAOYSA-N -1 0 410.499 3.112 50 0 HGAARM CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000005154693 559254335 /nfs/dbraw/zinc/25/43/35/559254335.db2.gz ZOAGMKLWXDFPQH-UHFFFAOYSA-N -1 0 410.499 3.194 50 0 HGAARM CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238899994 559271624 /nfs/dbraw/zinc/27/16/24/559271624.db2.gz HOGNSHPIFOIKIO-BFYDXBDKSA-N -1 0 415.486 3.438 50 0 biogenic HGAARM Cc1cc(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000238924052 559271656 /nfs/dbraw/zinc/27/16/56/559271656.db2.gz QPVOVGVGTKDJHA-BRWVUGGUSA-N -1 0 415.486 3.493 50 0 biogenic HGAARM Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238901400 559271700 /nfs/dbraw/zinc/27/17/00/559271700.db2.gz LZHDYJKVUJPAAS-JYJNAYRXSA-N -1 0 401.459 3.184 50 0 biogenic HGAARM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2O)ccc1Br ZINC000079047611 560541392 /nfs/dbraw/zinc/54/13/92/560541392.db2.gz DKJJSIRKOCPHEK-UHFFFAOYSA-N -1 0 400.250 3.051 50 0 HGAARM O=C([O-])c1cc(O)ccc1NC(=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000005347956 560570841 /nfs/dbraw/zinc/57/08/41/560570841.db2.gz YPVYJHQJKBZMHQ-YBEGLDIGSA-N -1 0 412.423 3.156 50 0 HGAARM O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100834109 560759658 /nfs/dbraw/zinc/75/96/58/560759658.db2.gz FCUVVIIKJZMRLZ-HIFRSBDPSA-N -1 0 405.635 3.395 50 0 HGAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1)CCCC2 ZINC000018154536 560780045 /nfs/dbraw/zinc/78/00/45/560780045.db2.gz ZKLWHIPZQPCVJL-UHFFFAOYSA-N -1 0 411.501 3.232 50 0 HGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000018263481 560785771 /nfs/dbraw/zinc/78/57/71/560785771.db2.gz KJADJVVDYNRFPZ-UHFFFAOYSA-N -1 0 411.863 3.230 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1C ZINC000101168411 560787553 /nfs/dbraw/zinc/78/75/53/560787553.db2.gz GUUNSHSFGBFERA-LEWJYISDSA-N -1 0 419.485 3.359 50 0 HGAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)c([O-])[nH]c1=S ZINC000101456805 560795687 /nfs/dbraw/zinc/79/56/87/560795687.db2.gz ZRVDZRQSMROLPV-OAHLLOKOSA-N -1 0 416.503 3.118 50 0 HGAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000101521031 560796887 /nfs/dbraw/zinc/79/68/87/560796887.db2.gz GGMRDPNNDBIXGV-PCCBWWKXSA-N -1 0 414.417 3.436 50 0 HGAARM O=C(NCc1ccccc1F)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722635 560798952 /nfs/dbraw/zinc/79/89/52/560798952.db2.gz YLROTXYSRYXJFM-UHFFFAOYSA-N -1 0 407.376 3.300 50 0 HGAARM COc1ccc(CNC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000101722976 560799000 /nfs/dbraw/zinc/79/90/00/560799000.db2.gz ICVKLKGQBJTUQL-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM COc1ccc(-n2c(=O)c(C(=O)NCc3ccccc3C)c([O-])c3cccnc32)cc1 ZINC000101723262 560799223 /nfs/dbraw/zinc/79/92/23/560799223.db2.gz WCRZESGDAPRNDQ-UHFFFAOYSA-N -1 0 415.449 3.338 50 0 HGAARM COc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(C)cc2)c3=O)c(OC)c1 ZINC000101802980 560802061 /nfs/dbraw/zinc/80/20/61/560802061.db2.gz NODXHTHGOTWWDU-UHFFFAOYSA-N -1 0 419.485 3.255 50 0 HGAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1Br ZINC000102170372 560808308 /nfs/dbraw/zinc/80/83/08/560808308.db2.gz BIXPIEHRYNKZPY-JTQLQIEISA-N -1 0 418.316 3.476 50 0 HGAARM C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(=O)[n-]2)[C@H]1C ZINC000104236251 560849929 /nfs/dbraw/zinc/84/99/29/560849929.db2.gz XVTXLINOOZNUIM-JRPNMDOOSA-N -1 0 408.474 3.143 50 0 HGAARM CCCn1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2sc1=O ZINC000046017479 568423743 /nfs/dbraw/zinc/42/37/43/568423743.db2.gz GTJISMRMQMBWLN-UHFFFAOYSA-N -1 0 408.501 3.291 50 0 HGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)c(O)c2)CC(=O)N3)c1 ZINC000049543339 568451170 /nfs/dbraw/zinc/45/11/70/568451170.db2.gz JAELFIMQFPEQAE-OAHLLOKOSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)[O-])[C@@H]21 ZINC000216626873 568466135 /nfs/dbraw/zinc/46/61/35/568466135.db2.gz QEDODJDYRRBDSB-OAQYLSRUSA-N -1 0 424.453 3.464 50 0 biogenic HGAARM COc1cc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)ccc1N1CCCC1=O ZINC000024375658 568511341 /nfs/dbraw/zinc/51/13/41/568511341.db2.gz HATGQXCQDCAVBU-UHFFFAOYSA-N -1 0 411.483 3.479 50 0 HGAARM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)s2)c(F)cc1F ZINC000024428341 568511484 /nfs/dbraw/zinc/51/14/84/568511484.db2.gz JTAMZBPSGVOZAH-UHFFFAOYSA-N -1 0 412.233 3.376 50 0 HGAARM Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2F)n1 ZINC000095365197 568602060 /nfs/dbraw/zinc/60/20/60/568602060.db2.gz RYSCNKIOXRESBU-UHFFFAOYSA-N -1 0 402.451 3.252 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c(OC)c1 ZINC000021033047 568659658 /nfs/dbraw/zinc/65/96/58/568659658.db2.gz RHTYFTGMZYTPKM-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000095945205 568663338 /nfs/dbraw/zinc/66/33/38/568663338.db2.gz QCKLFLCFVYQTLL-SFHVURJKSA-N -1 0 400.406 3.385 50 0 HGAARM COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCCCC(=O)[O-])c1 ZINC000095969603 568671278 /nfs/dbraw/zinc/67/12/78/568671278.db2.gz HYZPQSLHSOPLED-UHFFFAOYSA-N -1 0 409.442 3.151 50 0 HGAARM COC(=O)C[C@@H](c1cnn(C)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115049 568694561 /nfs/dbraw/zinc/69/45/61/568694561.db2.gz QPZFSZUCTXMANN-HNNXBMFYSA-N -1 0 420.421 3.300 50 0 biogenic HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(F)cc3)c2C)cc1 ZINC000001002401 568762194 /nfs/dbraw/zinc/76/21/94/568762194.db2.gz ADGPVDBQWPJFQO-UHFFFAOYSA-N -1 0 416.478 3.447 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000097161415 568768942 /nfs/dbraw/zinc/76/89/42/568768942.db2.gz AIOTVSJJFOZWFQ-UHFFFAOYSA-N -1 0 402.476 3.098 50 0 HGAARM Nc1c(Cl)cc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000055574093 568779738 /nfs/dbraw/zinc/77/97/38/568779738.db2.gz RGDVYZJYKYGOHX-UHFFFAOYSA-N -1 0 404.250 3.400 50 0 HGAARM Cn1cc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000031651541 568837294 /nfs/dbraw/zinc/83/72/94/568837294.db2.gz QZWWMVGPWYZWOD-UHFFFAOYSA-N -1 0 408.842 3.266 50 0 HGAARM COc1cc(Br)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1OC ZINC000012560711 568858064 /nfs/dbraw/zinc/85/80/64/568858064.db2.gz RUTIWMHQIFPUKG-UHFFFAOYSA-N -1 0 412.265 3.143 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc2cccnc21 ZINC000012560649 568858264 /nfs/dbraw/zinc/85/82/64/568858264.db2.gz WLLFKYJGXCIUMK-UHFFFAOYSA-N -1 0 405.439 3.078 50 0 HGAARM Cc1c(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000004062901 568881584 /nfs/dbraw/zinc/88/15/84/568881584.db2.gz FADTZOHJFQXWSL-CQSZACIVSA-N -1 0 401.459 3.119 50 0 biogenic HGAARM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000084023056 568933128 /nfs/dbraw/zinc/93/31/28/568933128.db2.gz LMBCXAUKFZTNCG-JTQLQIEISA-N -1 0 406.489 3.040 50 0 HGAARM O=C([O-])C[C@H](CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000004029188 568934319 /nfs/dbraw/zinc/93/43/19/568934319.db2.gz YWCMVBHNMHKDLX-WOJBJXKFSA-N -1 0 410.470 3.162 50 0 biogenic HGAARM CCOc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1OC(F)F ZINC000012765577 568948356 /nfs/dbraw/zinc/94/83/56/568948356.db2.gz LGVRXRBVIUCXMU-UHFFFAOYSA-N -1 0 409.414 3.257 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000004176790 568948865 /nfs/dbraw/zinc/94/88/65/568948865.db2.gz ZKKRQZBBMDGXJJ-SFHVURJKSA-N -1 0 412.442 3.255 50 0 HGAARM Cc1cccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)c1 ZINC000015720835 568976451 /nfs/dbraw/zinc/97/64/51/568976451.db2.gz KWXVDIHUQANDOM-UHFFFAOYSA-N -1 0 413.480 3.049 50 0 HGAARM COc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c1 ZINC000015781928 569002919 /nfs/dbraw/zinc/00/29/19/569002919.db2.gz TXIPSUHCZSKFPB-QGZVFWFLSA-N -1 0 400.431 3.318 50 0 HGAARM COc1cc(C=NNC(=O)c2ccncc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000002185448 569005209 /nfs/dbraw/zinc/00/52/09/569005209.db2.gz RXXNTXGOPBMOLB-UHFFFAOYSA-N -1 0 405.410 3.131 50 0 HGAARM CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000006186509 569029741 /nfs/dbraw/zinc/02/97/41/569029741.db2.gz OMOKWYAQVYBHMG-WMKCGOMXSA-N -1 0 412.548 3.457 50 0 HGAARM COc1cc([C@@H]2CC(c3c(=O)cc(C)oc3[O-])=NCCS2)cc(OC)c1OC ZINC000137815757 569045236 /nfs/dbraw/zinc/04/52/36/569045236.db2.gz NLFRVEKCOFEQGO-KRWDZBQOSA-N -1 0 405.472 3.347 50 0 HGAARM CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000002097412 569060431 /nfs/dbraw/zinc/06/04/31/569060431.db2.gz DFGVBCRALAMJNR-QKKBWIMNSA-N -1 0 409.438 3.453 50 0 HGAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000064979472 569140468 /nfs/dbraw/zinc/14/04/68/569140468.db2.gz NXCWLVBYUWHHOP-UHFFFAOYSA-N -1 0 402.428 3.231 50 0 HGAARM Cn1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc2occc21 ZINC000036353854 569147830 /nfs/dbraw/zinc/14/78/30/569147830.db2.gz CLBGOXNVVJDWDI-UHFFFAOYSA-N -1 0 402.457 3.281 50 0 HGAARM Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c(C)c1 ZINC000036360900 569151987 /nfs/dbraw/zinc/15/19/87/569151987.db2.gz JMWIKORZJCBYCP-QFIPXVFZSA-N -1 0 421.497 3.441 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc1 ZINC000065009069 569153301 /nfs/dbraw/zinc/15/33/01/569153301.db2.gz QXGBQDHIMHICLJ-UHFFFAOYSA-N -1 0 405.501 3.353 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c(OC)c1 ZINC000006887654 569170732 /nfs/dbraw/zinc/17/07/32/569170732.db2.gz UJRDCAAYKQJCSB-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000065116080 569179737 /nfs/dbraw/zinc/17/97/37/569179737.db2.gz XYYITHZMCXYREE-UHFFFAOYSA-N -1 0 401.444 3.418 50 0 HGAARM COc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1Cl ZINC000006918539 569181533 /nfs/dbraw/zinc/18/15/33/569181533.db2.gz YVDSWXUMYMYJQQ-UHFFFAOYSA-N -1 0 411.892 3.191 50 0 HGAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccc(OC)c3ccccc32)cc2c(=O)[nH]nc1-2 ZINC000524733509 569213793 /nfs/dbraw/zinc/21/37/93/569213793.db2.gz PLJJZVHNUWOQGO-QGZVFWFLSA-N -1 0 421.409 3.101 50 0 HGAARM O=C(Cc1ccc(OC(F)F)cc1)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000170597619 569242262 /nfs/dbraw/zinc/24/22/62/569242262.db2.gz RFAFXRCJUHWJLC-OAHLLOKOSA-N -1 0 411.771 3.042 50 0 HGAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1C ZINC000014097868 569258634 /nfs/dbraw/zinc/25/86/34/569258634.db2.gz RFCVVICONKLKDS-UHFFFAOYSA-N -1 0 424.906 3.292 50 0 HGAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc21 ZINC000016837564 569263419 /nfs/dbraw/zinc/26/34/19/569263419.db2.gz LDXWOIWIVVVSHW-UHFFFAOYSA-N -1 0 404.488 3.194 50 0 HGAARM Cc1cc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002102155 569281478 /nfs/dbraw/zinc/28/14/78/569281478.db2.gz MMALLEVOGHZDKX-AWEZNQCLSA-N -1 0 401.459 3.119 50 0 biogenic HGAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002105363 569282980 /nfs/dbraw/zinc/28/29/80/569282980.db2.gz WTWUMCLAIXHOQK-CJNGLKHVSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002106529 569283113 /nfs/dbraw/zinc/28/31/13/569283113.db2.gz WUXNPQVTAAWSGM-KUHUBIRLSA-N -1 0 403.475 3.437 50 0 biogenic HGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)[O-])CC3)ccc12 ZINC000002117295 569284738 /nfs/dbraw/zinc/28/47/38/569284738.db2.gz AQMBWBLMGXKFIS-UHFFFAOYSA-N -1 0 401.459 3.146 50 0 biogenic HGAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000007709014 569301717 /nfs/dbraw/zinc/30/17/17/569301717.db2.gz PEXVSZJCPMSDKI-UHFFFAOYSA-N -1 0 406.279 3.107 50 0 HGAARM CNC(=O)c1ccc(CN(C)C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])cc1 ZINC000078939033 569421903 /nfs/dbraw/zinc/42/19/03/569421903.db2.gz PYRYKAYHUOFADH-UHFFFAOYSA-N -1 0 406.486 3.333 50 0 HGAARM COc1ccc(CC2C(=O)N=C(SCC(=O)Nc3ccc(C)cc3)N=C2[O-])cc1 ZINC000008694869 571102498 /nfs/dbraw/zinc/10/24/98/571102498.db2.gz XZRKHQJPVQBQOA-UHFFFAOYSA-N -1 0 411.483 3.114 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)NCc3cccs3)s2)cc1 ZINC000008979036 571198267 /nfs/dbraw/zinc/19/82/67/571198267.db2.gz FEHQCERGXLTJCI-UHFFFAOYSA-N -1 0 423.541 3.252 50 0 HGAARM O=C([O-])c1cc(-c2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cn3)o2)ccc1Cl ZINC000008994573 571208325 /nfs/dbraw/zinc/20/83/25/571208325.db2.gz WHZWJZZIRMQBLC-UHFFFAOYSA-N -1 0 414.761 3.365 50 0 HGAARM CCn1nc([N-]S(=O)(=O)c2cccc3nonc32)c2cc3cccc(C)c3nc21 ZINC000009109111 571222133 /nfs/dbraw/zinc/22/21/33/571222133.db2.gz BFYDCNSKUGQMJB-UHFFFAOYSA-N -1 0 408.443 3.250 50 0 HGAARM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2)nn1 ZINC000009650651 571276646 /nfs/dbraw/zinc/27/66/46/571276646.db2.gz JCANSOIOIZMMKG-UHFFFAOYSA-N -1 0 423.541 3.108 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 ZINC000009684574 571279468 /nfs/dbraw/zinc/27/94/68/571279468.db2.gz KXJHPLFJFXFRAH-UHFFFAOYSA-N -1 0 405.520 3.375 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000009684921 571279577 /nfs/dbraw/zinc/27/95/77/571279577.db2.gz DKVBOMIIMQBJKX-UHFFFAOYSA-N -1 0 405.520 3.077 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009685009 571279734 /nfs/dbraw/zinc/27/97/34/571279734.db2.gz QCBRYBJCASFMHC-UHFFFAOYSA-N -1 0 419.547 3.468 50 0 HGAARM COCCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000021704854 571307457 /nfs/dbraw/zinc/30/74/57/571307457.db2.gz BGFANPJAYWSVOA-UHFFFAOYSA-N -1 0 420.516 3.173 50 0 HGAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs1 ZINC000013730675 571309866 /nfs/dbraw/zinc/30/98/66/571309866.db2.gz MVKARARIFUUMEE-UHFFFAOYSA-N -1 0 403.485 3.488 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[C@@H](C)CC)C(=O)[O-] ZINC000009046046 132227928 /nfs/dbraw/zinc/22/79/28/132227928.db2.gz CSSJVRRJMBZJLL-GGNLRSJOSA-N -1 0 418.494 3.015 50 0 HGAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1F ZINC000003581504 132266952 /nfs/dbraw/zinc/26/69/52/132266952.db2.gz XGAKGERBULKPOT-UHFFFAOYSA-N -1 0 404.385 3.482 50 0 HGAARM CCC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000009111123 132335921 /nfs/dbraw/zinc/33/59/21/132335921.db2.gz AFADZAMFDGCVKH-VHEBQXMUSA-N -1 0 408.458 3.120 50 0 HGAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@@H](c2ccc(Cl)cc2)NN1 ZINC000009332369 132338795 /nfs/dbraw/zinc/33/87/95/132338795.db2.gz MHSMXSBKJXKKQY-DQHOPXMZSA-N -1 0 417.252 3.070 50 0 HGAARM CC(=O)Nc1ccc(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000032666581 519732067 /nfs/dbraw/zinc/73/20/67/519732067.db2.gz IPRXWCZZNSEKDY-LJQANCHMSA-N -1 0 411.483 3.031 50 0 HGAARM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCOCC2)cc1 ZINC000032971216 519838847 /nfs/dbraw/zinc/83/88/47/519838847.db2.gz AIMRMZHBRWDOGX-UHFFFAOYSA-N -1 0 404.488 3.146 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)[nH]n2)cc1 ZINC000032950946 521131469 /nfs/dbraw/zinc/13/14/69/521131469.db2.gz LRQOFXFQHGRBQJ-UHFFFAOYSA-N -1 0 414.487 3.478 50 0 HGAARM CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000040485106 521523172 /nfs/dbraw/zinc/52/31/72/521523172.db2.gz MKCMQWHCBWJLHV-LJQANCHMSA-N -1 0 419.441 3.303 50 0 HGAARM COCc1nn2c(ncc3c(=O)n([C@@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397817 523245233 /nfs/dbraw/zinc/24/52/33/523245233.db2.gz WRLKLYLXCIPDSR-NSHDSACASA-N -1 0 412.833 3.157 50 0 HGAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2ncccn2)CC1 ZINC000032946872 525062279 /nfs/dbraw/zinc/06/22/79/525062279.db2.gz VKVKUBYGDJJKOS-UHFFFAOYSA-N -1 0 417.469 3.062 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)c1 ZINC000032944039 525697819 /nfs/dbraw/zinc/69/78/19/525697819.db2.gz RTZHYWHLHJQGIU-CYBMUJFWSA-N -1 0 403.529 3.428 50 0 HGAARM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000702675 557062429 /nfs/dbraw/zinc/06/24/29/557062429.db2.gz CETXACRJSGFJPD-LBPRGKRZSA-N -1 0 421.475 3.489 50 0 HGAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022626741 557107082 /nfs/dbraw/zinc/10/70/82/557107082.db2.gz LVCBFHAITIZIKM-AHIWAGSCSA-N -1 0 402.520 3.402 50 0 HGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)N1CCCC1 ZINC000001053901 557160931 /nfs/dbraw/zinc/16/09/31/557160931.db2.gz WZHWJXZAJNXSGX-UHFFFAOYSA-N -1 0 409.305 3.486 50 0 HGAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)o1 ZINC000001116210 557187087 /nfs/dbraw/zinc/18/70/87/557187087.db2.gz SHGDWRKNMFGYDQ-DHZHZOJOSA-N -1 0 412.471 3.448 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)OCc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000001389406 557258431 /nfs/dbraw/zinc/25/84/31/557258431.db2.gz SIDNXCHETMFQLN-UHFFFAOYSA-N -1 0 411.789 3.016 50 0 HGAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)cc1 ZINC000034763676 557461089 /nfs/dbraw/zinc/46/10/89/557461089.db2.gz RYPDPJLPDNVBKM-OAHLLOKOSA-N -1 0 407.474 3.066 50 0 HGAARM O=C([O-])c1ccc(NC(=O)COc2ccccc2)c(NC(=O)COc2ccccc2)c1 ZINC000003667951 557497747 /nfs/dbraw/zinc/49/77/47/557497747.db2.gz VOYFQOQBMZFZKN-UHFFFAOYSA-N -1 0 420.421 3.420 50 0 HGAARM CCOC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000004271903 557533978 /nfs/dbraw/zinc/53/39/78/557533978.db2.gz QQJYRTPQEOQLDR-MRXNPFEDSA-N -1 0 414.439 3.195 50 0 HGAARM CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004535619 557564431 /nfs/dbraw/zinc/56/44/31/557564431.db2.gz IBOXOGVHBFUSFH-WOJBJXKFSA-N -1 0 412.486 3.140 50 0 HGAARM CN(c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000004724125 557586828 /nfs/dbraw/zinc/58/68/28/557586828.db2.gz OQYVMEROXTYKDW-UHFFFAOYSA-N -1 0 410.451 3.462 50 0 HGAARM COc1cc(C=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000004725308 557587301 /nfs/dbraw/zinc/58/73/01/557587301.db2.gz QNLCJBPWTIDRFE-UHFFFAOYSA-N -1 0 412.179 3.390 50 0 HGAARM CCOC(=O)c1ccc(CN2C(=O)S[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000004748472 557592337 /nfs/dbraw/zinc/59/23/37/557592337.db2.gz STCPRZPASCDOCC-INIZCTEOSA-N -1 0 414.439 3.195 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794495 557598367 /nfs/dbraw/zinc/59/83/67/557598367.db2.gz LFHIOOBWQJBUPB-DBVUQKKJSA-N -1 0 412.486 3.140 50 0 HGAARM CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)OCC)c1C ZINC000005021029 557626827 /nfs/dbraw/zinc/62/68/27/557626827.db2.gz RUIKYQJZSPJZBH-RYUDHWBXSA-N -1 0 409.460 3.015 50 0 HGAARM COc1ccc([C@@]2(Oc3ccc(C(=O)[O-])cc3)OC(=O)C=C2Br)cc1 ZINC000005670618 557667648 /nfs/dbraw/zinc/66/76/48/557667648.db2.gz IRCGKEWXIIRYTQ-GOSISDBHSA-N -1 0 405.200 3.461 50 0 HGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000006268814 557696999 /nfs/dbraw/zinc/69/69/99/557696999.db2.gz QSIXXSWHMRIFRU-UHFFFAOYSA-N -1 0 423.494 3.240 50 0 HGAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(Cc2c(Cl)cccc2Cl)n1 ZINC000002804661 557763603 /nfs/dbraw/zinc/76/36/03/557763603.db2.gz QPTOWLPXGRRMEE-UHFFFAOYSA-N -1 0 400.291 3.379 50 0 HGAARM CCN(CC)C(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000008672367 557799790 /nfs/dbraw/zinc/79/97/90/557799790.db2.gz FMGQSNGHLIFPAY-UHFFFAOYSA-N -1 0 423.538 3.489 50 0 HGAARM [O-]c1c([C@H](c2ccccc2F)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022852131 557839878 /nfs/dbraw/zinc/83/98/78/557839878.db2.gz YBYGPASPHIUAMG-HNNXBMFYSA-N -1 0 400.435 3.317 50 0 HGAARM O=C([O-])c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000019720723 558259090 /nfs/dbraw/zinc/25/90/90/558259090.db2.gz XBPHOHHTAHAEAX-HNNXBMFYSA-N -1 0 418.858 3.042 50 0 HGAARM Cc1c2cc(NC(=O)CCn3[n-]c(=O)ccc3=O)ccc2oc1C(=O)c1ccccc1 ZINC000012408835 558399618 /nfs/dbraw/zinc/39/96/18/558399618.db2.gz BSNRWGKYAIUDGH-UHFFFAOYSA-N -1 0 417.421 3.263 50 0 HGAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1ccccc1C(F)(F)F ZINC000012630702 558441578 /nfs/dbraw/zinc/44/15/78/558441578.db2.gz VKRLUTQSUOOLFV-UHFFFAOYSA-N -1 0 409.393 3.495 50 0 HGAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc4[nH]c5ccccc5n43)c12 ZINC000013256346 558527930 /nfs/dbraw/zinc/52/79/30/558527930.db2.gz JBSNSHGDPWUZCY-UHFFFAOYSA-N -1 0 411.468 3.413 50 0 HGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Br ZINC000013394427 558531548 /nfs/dbraw/zinc/53/15/48/558531548.db2.gz GVYAIQGVYGZVGQ-CQSZACIVSA-N -1 0 412.667 3.293 50 0 HGAARM O=C([O-])C1CCN(C(=O)CCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)CC1 ZINC000013572338 558542401 /nfs/dbraw/zinc/54/24/01/558542401.db2.gz GXWDPVGZEKEMIO-PTNGSMBKSA-N -1 0 422.890 3.090 50 0 HGAARM CN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc4c(c3)OCO4)Sc3ccccc3N2)C1=O ZINC000013592005 558546202 /nfs/dbraw/zinc/54/62/02/558546202.db2.gz SXZUIBQBVDPHTE-GFWHJHDHSA-N -1 0 423.450 3.027 50 0 HGAARM Cc1cnc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)s1 ZINC000013687798 558570520 /nfs/dbraw/zinc/57/05/20/558570520.db2.gz QUIANZZTEQVKFB-UHFFFAOYSA-N -1 0 412.493 3.029 50 0 HGAARM O=C([O-])c1ccc(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000013843283 558597318 /nfs/dbraw/zinc/59/73/18/558597318.db2.gz MPLAFLNLLQVRRU-UHFFFAOYSA-N -1 0 414.417 3.111 50 0 HGAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000004483877 558603136 /nfs/dbraw/zinc/60/31/36/558603136.db2.gz SPUZIUGGDXHMRU-NHCUHLMSSA-N -1 0 419.485 3.304 50 0 HGAARM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000004486725 558604005 /nfs/dbraw/zinc/60/40/05/558604005.db2.gz QWDDNWSITVQASH-OAHLLOKOSA-N -1 0 404.488 3.167 50 0 HGAARM Cc1nn(CC(C)C)c2sc(C(=O)[N-]N3C(=O)NC4(CCC(C)CC4)C3=O)cc12 ZINC000014200057 558635890 /nfs/dbraw/zinc/63/58/90/558635890.db2.gz AMWPAPKNMORRRZ-UHFFFAOYSA-N -1 0 417.535 3.208 50 0 HGAARM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)c1ccc2c(c1)OCCCO2 ZINC000027597819 558677185 /nfs/dbraw/zinc/67/71/85/558677185.db2.gz UJHGACZBZCAJIA-UHFFFAOYSA-N -1 0 412.471 3.311 50 0 HGAARM CSCC[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000015746148 558751314 /nfs/dbraw/zinc/75/13/14/558751314.db2.gz JZNHBMVRHOSNRJ-AYYGCFCKSA-N -1 0 422.890 3.026 50 0 HGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000004580682 558766980 /nfs/dbraw/zinc/76/69/80/558766980.db2.gz QMYRFMWYEWGADQ-OAHLLOKOSA-N -1 0 408.248 3.412 50 0 HGAARM CCc1nc2sc([C@@H](c3cccs3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000004584783 558780321 /nfs/dbraw/zinc/78/03/21/558780321.db2.gz VLDJOIDWFZQVBW-CQSZACIVSA-N -1 0 406.533 3.095 50 0 HGAARM CSc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)N1CCC(C)CC1 ZINC000016649109 558797770 /nfs/dbraw/zinc/79/77/70/558797770.db2.gz CTDKKJHCYQOBLH-UHFFFAOYSA-N -1 0 405.545 3.476 50 0 HGAARM COc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)NN2)cc1 ZINC000017027825 558812238 /nfs/dbraw/zinc/81/22/38/558812238.db2.gz UEYBIVLSPUMTDT-DZHJMQLISA-N -1 0 412.833 3.265 50 0 HGAARM O=C([O-])COCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2 ZINC000017088029 558816823 /nfs/dbraw/zinc/81/68/23/558816823.db2.gz MNRQXZYOYGORTO-UHFFFAOYSA-N -1 0 408.520 3.119 50 0 HGAARM O=C([O-])COCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000017088122 558817027 /nfs/dbraw/zinc/81/70/27/558817027.db2.gz HSJJDOPTYYDWGE-UHFFFAOYSA-N -1 0 408.863 3.182 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017089856 558818456 /nfs/dbraw/zinc/81/84/56/558818456.db2.gz XPCIEODDRXWCBW-KBPBESRZSA-N -1 0 414.483 3.365 50 0 HGAARM O=C([O-])c1cc(-c2ccc3ncccc3c2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071754429 558909333 /nfs/dbraw/zinc/90/93/33/558909333.db2.gz URVOPKDTITXNCE-UHFFFAOYSA-N -1 0 414.508 3.338 50 0 HGAARM Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000058324590 558919512 /nfs/dbraw/zinc/91/95/12/558919512.db2.gz SAKSTSYAANYNDY-UHFFFAOYSA-N -1 0 414.512 3.257 50 0 HGAARM Cc1cc(Br)c([O-])c(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000058421624 558925827 /nfs/dbraw/zinc/92/58/27/558925827.db2.gz RPIIZDISRWZXGD-ZDUSSCGKSA-N -1 0 411.340 3.476 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000097940951 558946007 /nfs/dbraw/zinc/94/60/07/558946007.db2.gz HHBNDXHNYVFDJX-UHFFFAOYSA-N -1 0 422.894 3.443 50 0 HGAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccccc2C)CC4)cc1 ZINC000097942114 558947993 /nfs/dbraw/zinc/94/79/93/558947993.db2.gz ITEXIFGRXAGVPW-UHFFFAOYSA-N -1 0 414.465 3.205 50 0 HGAARM [O-]c1c([C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031042 558985152 /nfs/dbraw/zinc/98/51/52/558985152.db2.gz FJZBOIJTGZBOTN-QGZVFWFLSA-N -1 0 411.556 3.465 50 0 HGAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000023157114 559022139 /nfs/dbraw/zinc/02/21/39/559022139.db2.gz HPWZRYPYZLSORA-BWACUDIHSA-N -1 0 418.519 3.021 50 0 HGAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2n[nH]c(=O)[n-]2)cc1C ZINC000095530579 559086787 /nfs/dbraw/zinc/08/67/87/559086787.db2.gz YUZQRKOXNSQIFS-LJQANCHMSA-N -1 0 403.442 3.097 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000004818385 559115937 /nfs/dbraw/zinc/11/59/37/559115937.db2.gz FNOMQINASWCTFH-UHFFFAOYSA-N -1 0 405.472 3.268 50 0 HGAARM CN(C)C(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000011695888 559188706 /nfs/dbraw/zinc/18/87/06/559188706.db2.gz NSSKTCNULHDOEN-UHFFFAOYSA-N -1 0 401.513 3.090 50 0 HGAARM COC(=O)C[C@H](c1ccc(OC)cc1)c1c(=O)nc2ccc(C(F)(F)F)cn2c1[O-] ZINC000205972967 559197750 /nfs/dbraw/zinc/19/77/50/559197750.db2.gz DRGSJHLAHLHPOQ-CQSZACIVSA-N -1 0 422.359 3.123 50 0 HGAARM COC(=O)c1ccccc1NC(=O)C(=O)C=C([O-])c1ccc(Br)cc1 ZINC000100503406 559212197 /nfs/dbraw/zinc/21/21/97/559212197.db2.gz VJROBBYDAKDFDU-UHFFFAOYSA-N -1 0 404.216 3.016 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N(C)Cc4ccccc4)c3=O)c2c1 ZINC000004951650 559215863 /nfs/dbraw/zinc/21/58/63/559215863.db2.gz VDSJOOPMEXJFFK-UHFFFAOYSA-N -1 0 408.483 3.208 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 ZINC000005185926 559290740 /nfs/dbraw/zinc/29/07/40/559290740.db2.gz PTQMJPWQYRDWHN-CVEARBPZSA-N -1 0 403.895 3.449 50 0 HGAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)c2)nn1 ZINC000005204276 560538451 /nfs/dbraw/zinc/53/84/51/560538451.db2.gz IDCDLSAQLQQKFQ-UHFFFAOYSA-N -1 0 415.471 3.360 50 0 HGAARM CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000005353852 560569368 /nfs/dbraw/zinc/56/93/68/560569368.db2.gz UKVWFTDBYCGOFA-QGZVFWFLSA-N -1 0 404.507 3.181 50 0 HGAARM O=C([O-])CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000016527363 560636722 /nfs/dbraw/zinc/63/67/22/560636722.db2.gz NQYKBHPPOJMPRT-IBGZPJMESA-N -1 0 417.259 3.184 50 0 HGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000018263337 560785692 /nfs/dbraw/zinc/78/56/92/560785692.db2.gz FLJPTIILBOTCFW-UHFFFAOYSA-N -1 0 407.835 3.119 50 0 HGAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000101494857 560796140 /nfs/dbraw/zinc/79/61/40/560796140.db2.gz NCNFUOFBODXNLU-INIZCTEOSA-N -1 0 414.531 3.370 50 0 HGAARM COc1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495643 560796373 /nfs/dbraw/zinc/79/63/73/560796373.db2.gz SRZRANFWZQWWGQ-GOSISDBHSA-N -1 0 423.494 3.156 50 0 HGAARM Cc1ccccc1CCNC(=O)CCn1c(=O)c2ccc(Cl)cc2[n-]c1=S ZINC000101507752 560796658 /nfs/dbraw/zinc/79/66/58/560796658.db2.gz PCHBIIFPSPJHHS-UHFFFAOYSA-N -1 0 401.919 3.396 50 0 HGAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccc(F)cc1 ZINC000101803561 560802249 /nfs/dbraw/zinc/80/22/49/560802249.db2.gz AMDJNEGMWPLBEE-UHFFFAOYSA-N -1 0 421.432 3.111 50 0 HGAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1cccs1 ZINC000101803591 560802255 /nfs/dbraw/zinc/80/22/55/560802255.db2.gz OKUPLZHDZYTHMC-UHFFFAOYSA-N -1 0 409.471 3.033 50 0 HGAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(C)c3)cnn21 ZINC000101835622 560803361 /nfs/dbraw/zinc/80/33/61/560803361.db2.gz QZLGGCFGSWOMLR-GOSISDBHSA-N -1 0 404.426 3.436 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)c1 ZINC000101836199 560803524 /nfs/dbraw/zinc/80/35/24/560803524.db2.gz GASYRGSKLOYTTN-GOSISDBHSA-N -1 0 408.389 3.267 50 0 HGAARM C/C(=C/C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1)C(=O)[O-] ZINC000013579298 560814731 /nfs/dbraw/zinc/81/47/31/560814731.db2.gz BGPAEINRJMFGMM-ZSMUJPCHSA-N -1 0 410.426 3.148 50 0 HGAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102762411 560826279 /nfs/dbraw/zinc/82/62/79/560826279.db2.gz GGMRDPNNDBIXGV-PWRODBHTSA-N -1 0 414.417 3.436 50 0 HGAARM CCn1c(=O)c2ccc(C(=O)NCCOc3cccc(Cl)c3)cc2[n-]c1=S ZINC000102792046 560827709 /nfs/dbraw/zinc/82/77/09/560827709.db2.gz XICBROXFKSLPCI-UHFFFAOYSA-N -1 0 403.891 3.167 50 0 HGAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000006418241 560848465 /nfs/dbraw/zinc/84/84/65/560848465.db2.gz OPFBYXFAZQZKQP-INIZCTEOSA-N -1 0 417.483 3.329 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c3=4)n2)cc1 ZINC000101277560 560851644 /nfs/dbraw/zinc/85/16/44/560851644.db2.gz VATKVPBORYPHSU-OALUTQOASA-N -1 0 416.441 3.155 50 0 HGAARM CCOc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2F)cc1 ZINC000015837767 560857716 /nfs/dbraw/zinc/85/77/16/560857716.db2.gz OLGTVKBIZJNNOQ-UHFFFAOYSA-N -1 0 415.446 3.207 50 0 HGAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000046056019 568425720 /nfs/dbraw/zinc/42/57/20/568425720.db2.gz YGUOCLSPDHOACW-UHFFFAOYSA-N -1 0 404.213 3.096 50 0 HGAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000048231764 568433402 /nfs/dbraw/zinc/43/34/02/568433402.db2.gz UBMKQAJMULORAT-UHFFFAOYSA-N -1 0 416.421 3.357 50 0 HGAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000049409522 568449707 /nfs/dbraw/zinc/44/97/07/568449707.db2.gz STJSIFDNANJJSF-UHFFFAOYSA-N -1 0 404.444 3.067 50 0 HGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(O)c(OC)c2)CC(=O)N3)c1 ZINC000049543446 568451128 /nfs/dbraw/zinc/45/11/28/568451128.db2.gz MDRNZHAOVLSSKP-HNNXBMFYSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)s1 ZINC000000755062 568472076 /nfs/dbraw/zinc/47/20/76/568472076.db2.gz HTGRMCWOEKNYSS-UHFFFAOYSA-N -1 0 406.464 3.293 50 0 HGAARM CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000218393024 568479720 /nfs/dbraw/zinc/47/97/20/568479720.db2.gz ZDCTWEKWECLWMI-INIZCTEOSA-N -1 0 415.496 3.315 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1OC ZINC000000802976 568485145 /nfs/dbraw/zinc/48/51/45/568485145.db2.gz IJJLPVXUMKUWGW-UHFFFAOYSA-N -1 0 416.455 3.028 50 0 HGAARM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000020285047 568596929 /nfs/dbraw/zinc/59/69/29/568596929.db2.gz BQAGIWDTHFDLKO-UHFFFAOYSA-N -1 0 422.890 3.203 50 0 HGAARM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000095424551 568607781 /nfs/dbraw/zinc/60/77/81/568607781.db2.gz HBDWXRNBQFMGBH-UHFFFAOYSA-N -1 0 411.458 3.161 50 0 HGAARM O=C([O-])[C@H]1CCCN(C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCC3)C1 ZINC000095969480 568670708 /nfs/dbraw/zinc/67/07/08/568670708.db2.gz SNLMVYULKUBDSS-LBPRGKRZSA-N -1 0 407.392 3.317 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCC(C)CC1 ZINC000021155885 568673610 /nfs/dbraw/zinc/67/36/10/568673610.db2.gz OFWFKPFANBSUGJ-UHFFFAOYSA-N -1 0 419.547 3.323 50 0 HGAARM Cc1nc(N2CCOCC2)nc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000096098626 568689785 /nfs/dbraw/zinc/68/97/85/568689785.db2.gz NWSUVKDWTGSZAT-UHFFFAOYSA-N -1 0 417.318 3.038 50 0 HGAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000229884413 568715829 /nfs/dbraw/zinc/71/58/29/568715829.db2.gz ZWEYECKGSIUVIR-PWRODBHTSA-N -1 0 401.422 3.141 50 0 HGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NC1CCCCCC1)c2=O ZINC000012416141 568717659 /nfs/dbraw/zinc/71/76/59/568717659.db2.gz GSCQRAGNNCRZBH-UHFFFAOYSA-N -1 0 417.531 3.465 50 0 HGAARM COc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000096361113 568738995 /nfs/dbraw/zinc/73/89/95/568738995.db2.gz FBPOSHVKNCTZOU-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C3CC3)no2)cc1 ZINC000096379867 568741620 /nfs/dbraw/zinc/74/16/20/568741620.db2.gz WXFYHWXZTBKCKI-UHFFFAOYSA-N -1 0 416.459 3.146 50 0 HGAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1cccc(Cl)c1 ZINC000086066908 568755230 /nfs/dbraw/zinc/75/52/30/568755230.db2.gz JTSMXQYFNKMVJU-UHFFFAOYSA-N -1 0 423.860 3.235 50 0 HGAARM CCOC(=O)CCc1c(C)nc2c(C(=O)Nc3cc(Cl)ccc3C)c[n-]n2c1=O ZINC000021883642 568758080 /nfs/dbraw/zinc/75/80/80/568758080.db2.gz WRDPIJLGSXVMCU-UHFFFAOYSA-N -1 0 416.865 3.041 50 0 HGAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCc1cccc(Cl)c1 ZINC000002975338 568832536 /nfs/dbraw/zinc/83/25/36/568832536.db2.gz FMHYOUZKPFOQBJ-UHFFFAOYSA-N -1 0 417.874 3.148 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(Cl)(Cl)Cl ZINC000001218761 568836756 /nfs/dbraw/zinc/83/67/56/568836756.db2.gz PVQHNWCILHBQND-UHFFFAOYSA-N -1 0 400.696 3.253 50 0 HGAARM CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC000031665927 568837486 /nfs/dbraw/zinc/83/74/86/568837486.db2.gz JFPGBVYFOHKIHI-UHFFFAOYSA-N -1 0 411.277 3.143 50 0 HGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C)nn(-c2ccc(C)cc2)c1C ZINC000012544863 568850081 /nfs/dbraw/zinc/85/00/81/568850081.db2.gz HECSLPZKVCCGBY-UHFFFAOYSA-N -1 0 405.501 3.446 50 0 HGAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012560828 568858054 /nfs/dbraw/zinc/85/80/54/568858054.db2.gz VKWWTXPTBQXFQB-UHFFFAOYSA-N -1 0 403.485 3.396 50 0 HGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000003623664 568864581 /nfs/dbraw/zinc/86/45/81/568864581.db2.gz VFRGTJPOWOULNN-QGZVFWFLSA-N -1 0 417.458 3.447 50 0 HGAARM COc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000003310350 568878285 /nfs/dbraw/zinc/87/82/85/568878285.db2.gz RLINGSSFUZBYKC-UHFFFAOYSA-N -1 0 415.500 3.095 50 0 HGAARM CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1ccc(OC)c(O)c1)N(C)C2=O ZINC000003958613 568930522 /nfs/dbraw/zinc/93/05/22/568930522.db2.gz ALMUSAFRGODVHG-UXHICEINSA-N -1 0 415.442 3.193 50 0 HGAARM CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1ccc(OC)c(O)c1)N(C)C2=O ZINC000003958624 568930540 /nfs/dbraw/zinc/93/05/40/568930540.db2.gz ALMUSAFRGODVHG-PMACEKPBSA-N -1 0 415.442 3.193 50 0 HGAARM CN(Cc1ccsc1)C(=O)CSc1nnc(-c2cccs2)n1CCC(=O)[O-] ZINC000012751309 568940697 /nfs/dbraw/zinc/94/06/97/568940697.db2.gz IZMYPGKFEXQSII-UHFFFAOYSA-N -1 0 422.557 3.294 50 0 HGAARM COC(=O)c1ccc(NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2cccs2)cc1 ZINC000004092815 568942454 /nfs/dbraw/zinc/94/24/54/568942454.db2.gz MRSRRGWWMKCDQV-LBPRGKRZSA-N -1 0 400.378 3.283 50 0 HGAARM CN1C(=O)N[C@H](c2ccc(F)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162519 568947572 /nfs/dbraw/zinc/94/75/72/568947572.db2.gz LWGIRDKQTGACFI-IOASZLSFSA-N -1 0 402.369 3.333 50 0 HGAARM CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000015670691 568961940 /nfs/dbraw/zinc/96/19/40/568961940.db2.gz UDWAVKVVOLKILS-GOSISDBHSA-N -1 0 422.510 3.203 50 0 HGAARM COc1ccccc1Nc1ncccc1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000007986656 568964912 /nfs/dbraw/zinc/96/49/12/568964912.db2.gz QWKZAEXCDKWESY-UHFFFAOYSA-N -1 0 408.439 3.489 50 0 HGAARM COC(=O)c1c(SCC(=O)Nc2cccc(OC)c2)[n-]c2ccc(C)cc2c1=O ZINC000015731515 568982142 /nfs/dbraw/zinc/98/21/42/568982142.db2.gz JUEHXUIEHXJQJJ-UHFFFAOYSA-N -1 0 412.467 3.363 50 0 HGAARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])cc1Cl ZINC000015943973 568983556 /nfs/dbraw/zinc/98/35/56/568983556.db2.gz RPSZQOZWFULXOI-UHFFFAOYSA-N -1 0 422.890 3.203 50 0 HGAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000016101154 569028932 /nfs/dbraw/zinc/02/89/32/569028932.db2.gz OLIKFDVKNMSTGS-UHFFFAOYSA-N -1 0 418.254 3.367 50 0 HGAARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000006383315 569046233 /nfs/dbraw/zinc/04/62/33/569046233.db2.gz RIOJXLRNKUFPIM-KBPBESRZSA-N -1 0 408.907 3.390 50 0 HGAARM O=C([O-])c1sccc1S(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000013016807 569050928 /nfs/dbraw/zinc/05/09/28/569050928.db2.gz LBLRGTWLGODQQQ-UHFFFAOYSA-N -1 0 409.407 3.004 50 0 HGAARM CCOC(=O)c1cc([N-]S(=O)(=O)c2c(F)cccc2F)cc(C(=O)OCC)c1 ZINC000006623223 569075108 /nfs/dbraw/zinc/07/51/08/569075108.db2.gz NTUVTZUDDKNHHD-UHFFFAOYSA-N -1 0 413.398 3.119 50 0 HGAARM CCCC[C@@H](CC)CNC(=O)CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006656809 569082991 /nfs/dbraw/zinc/08/29/91/569082991.db2.gz IPNLFAHJMLYZTK-RHSMWYFYSA-N -1 0 400.548 3.467 50 0 HGAARM O=C([O-])c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000064820713 569102661 /nfs/dbraw/zinc/10/26/61/569102661.db2.gz KXDOUJLVGRNWRQ-UHFFFAOYSA-N -1 0 405.248 3.236 50 0 HGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cccc(-c3ccno3)c2)c(C)n1C ZINC000064863373 569111686 /nfs/dbraw/zinc/11/16/86/569111686.db2.gz QNCINUNCJTWONA-UHFFFAOYSA-N -1 0 403.460 3.274 50 0 HGAARM COc1ccc2c(C)c(CC(=O)NCC3(CC(=O)[O-])CCCCC3)c(=O)oc2c1 ZINC000006759125 569113143 /nfs/dbraw/zinc/11/31/43/569113143.db2.gz IWKCXXTUOFZZSQ-UHFFFAOYSA-N -1 0 401.459 3.194 50 0 HGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)[O-])OC1(CCCCC1)CC3 ZINC000006760833 569114294 /nfs/dbraw/zinc/11/42/94/569114294.db2.gz LVHAKWTZMOWRBI-UHFFFAOYSA-N -1 0 413.470 3.263 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)c(OC)c1 ZINC000064979402 569140361 /nfs/dbraw/zinc/14/03/61/569140361.db2.gz NTPJVEUOFWXGIW-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM Cc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c(C)c1 ZINC000036360901 569151968 /nfs/dbraw/zinc/15/19/68/569151968.db2.gz JMWIKORZJCBYCP-JOCHJYFZSA-N -1 0 421.497 3.441 50 0 HGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cc(OCC)ccc1OCC ZINC000006887505 569170744 /nfs/dbraw/zinc/17/07/44/569170744.db2.gz ZAPNYHHVPYLPIO-UHFFFAOYSA-N -1 0 410.492 3.406 50 0 HGAARM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccccc3)c2)o1)N1CCCCC1 ZINC000065099016 569177213 /nfs/dbraw/zinc/17/72/13/569177213.db2.gz NKIOSXUMBVHEIY-UHFFFAOYSA-N -1 0 418.500 3.225 50 0 HGAARM CCOc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(C)cc3)c2[nH]c1=O ZINC000065249978 569206055 /nfs/dbraw/zinc/20/60/55/569206055.db2.gz DQOCZHHLSHHUBH-UHFFFAOYSA-N -1 0 404.426 3.379 50 0 HGAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(F)ccc1F ZINC000007421542 569237600 /nfs/dbraw/zinc/23/76/00/569237600.db2.gz IDYCYNJSAQQHSS-UHFFFAOYSA-N -1 0 404.320 3.365 50 0 HGAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000013575860 569256186 /nfs/dbraw/zinc/25/61/86/569256186.db2.gz VGLOWHSDOHWDFR-UNOMPAQXSA-N -1 0 417.421 3.198 50 0 HGAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(-n4nnnc4C)c3)s2)cs1 ZINC000089740995 569263297 /nfs/dbraw/zinc/26/32/97/569263297.db2.gz IAMMHLBATVLSOT-UHFFFAOYSA-N -1 0 418.529 3.265 50 0 HGAARM O=C([O-])c1ccc2c(c1)nc(CSc1nnc3sc4ccccc4n13)[nH]c2=O ZINC000007738619 569305235 /nfs/dbraw/zinc/30/52/35/569305235.db2.gz VVWXQSJDKSJQHW-UHFFFAOYSA-N -1 0 409.452 3.171 50 0 HGAARM CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCC(=O)[O-])cc1 ZINC000012652797 569402317 /nfs/dbraw/zinc/40/23/17/569402317.db2.gz YWJNOOUVWKDHDT-HMMYKYKNSA-N -1 0 410.470 3.226 50 0 biogenic HGAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(C)C3=O)Nc3ccccc3S2)cc1 ZINC000008974848 571197795 /nfs/dbraw/zinc/19/77/95/571197795.db2.gz ZOCQHPYFXVNTJI-KCGBVJQISA-N -1 0 409.467 3.307 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)c(OC)c1 ZINC000008977093 571197933 /nfs/dbraw/zinc/19/79/33/571197933.db2.gz NUDLXISXHILNFF-UHFFFAOYSA-N -1 0 418.515 3.045 50 0 HGAARM CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3C)s2)cc1 ZINC000009251771 571242379 /nfs/dbraw/zinc/24/23/79/571242379.db2.gz AREWDSQJXSUTMR-UHFFFAOYSA-N -1 0 418.500 3.298 50 0 HGAARM O=C([O-])CCC(=O)N1N=C(c2cc3ccccc3o2)C[C@]12C(=O)Nc1ccccc12 ZINC000009303183 571246238 /nfs/dbraw/zinc/24/62/38/571246238.db2.gz MCAFNBINNVGXIX-QFIPXVFZSA-N -1 0 403.394 3.082 50 0 HGAARM COc1ccc(-c2nnc(-c3cc(I)ccc3N)[n-]c2=O)cc1 ZINC000069982219 571252586 /nfs/dbraw/zinc/25/25/86/571252586.db2.gz RWASEESABLKTPU-UHFFFAOYSA-N -1 0 420.210 3.107 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ncn(CC(C)C)c2-c2ccccc2N)cc1 ZINC000009421356 571257049 /nfs/dbraw/zinc/25/70/49/571257049.db2.gz SHWXAOKHQHRWOI-UHFFFAOYSA-N -1 0 412.515 3.215 50 0 HGAARM CSC[C@H](C(=O)Nc1cc(Cl)ccc1C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000009495172 571263083 /nfs/dbraw/zinc/26/30/83/571263083.db2.gz LYICBFPMRXKLIL-OAHLLOKOSA-N -1 0 418.858 3.005 50 0 HGAARM COc1ccc(Cc2nnc3n2N=C(c2ccccc2)[C@@H](CC(=O)[O-])S3)cc1OC ZINC000009578625 571270077 /nfs/dbraw/zinc/27/00/77/571270077.db2.gz BSAJSIBDORGBSP-QGZVFWFLSA-N -1 0 424.482 3.088 50 0 HGAARM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000006564283 571317545 /nfs/dbraw/zinc/31/75/45/571317545.db2.gz PEMHOAIHPQJNIM-NHCUHLMSSA-N -1 0 422.481 3.235 50 0 HGAARM O=C([O-])c1ccccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000004390489 132276259 /nfs/dbraw/zinc/27/62/59/132276259.db2.gz KYIPPYFNDQOKNW-UHFFFAOYSA-N -1 0 413.783 3.414 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)s1 ZINC000005144815 132303204 /nfs/dbraw/zinc/30/32/04/132303204.db2.gz LNAWWBCVUGEIIN-UHFFFAOYSA-N -1 0 416.528 3.151 50 0 HGAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc21 ZINC000008768699 132333249 /nfs/dbraw/zinc/33/32/49/132333249.db2.gz NDQVNFJNZJOEDT-UHFFFAOYSA-N -1 0 404.488 3.194 50 0 HGAARM CC(=O)Nc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009089803 132335686 /nfs/dbraw/zinc/33/56/86/132335686.db2.gz NLKAWBHACAURIC-GZTJUZNOSA-N -1 0 412.833 3.267 50 0 HGAARM COc1ccc(OC)c(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000009111504 132335917 /nfs/dbraw/zinc/33/59/17/132335917.db2.gz LSBCEAXFFPMNTN-BOPFTXTBSA-N -1 0 415.833 3.326 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078520 132776500 /nfs/dbraw/zinc/77/65/00/132776500.db2.gz ITEPKDKPUZPOLA-UHFFFAOYSA-N -1 0 415.421 3.055 50 0 HGAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000032962230 519046217 /nfs/dbraw/zinc/04/62/17/519046217.db2.gz XCIGTMLLZNMDOW-UHFFFAOYSA-N -1 0 418.515 3.320 50 0 HGAARM CC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(Cc2cccs2)CC1 ZINC000032100995 519734647 /nfs/dbraw/zinc/73/46/47/519734647.db2.gz JMOGKWYWHLJJKL-FQEVSTJZSA-N -1 0 412.515 3.131 50 0 HGAARM CC(C)[C@H](NC(=O)Cc1csc([N-]S(C)(=O)=O)n1)c1ccc(Cl)cc1 ZINC000032903605 519818787 /nfs/dbraw/zinc/81/87/87/519818787.db2.gz KBGVBSZSATWTMM-HNNXBMFYSA-N -1 0 401.941 3.224 50 0 HGAARM CC(C)c1ccc(CN2CCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)CC2)cc1 ZINC000045904906 519836034 /nfs/dbraw/zinc/83/60/34/519836034.db2.gz QORVBHISMXMRRE-UHFFFAOYSA-N -1 0 415.559 3.140 50 0 HGAARM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000032095552 520808424 /nfs/dbraw/zinc/80/84/24/520808424.db2.gz MOIWIVGIUVQZOX-UHFFFAOYSA-N -1 0 414.277 3.192 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)[nH]n2)cc1 ZINC000032950932 521130201 /nfs/dbraw/zinc/13/02/01/521130201.db2.gz QUXPYBDCOPMKOO-UHFFFAOYSA-N -1 0 414.487 3.478 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccccc3)c2C)cc1NC(C)=O ZINC000032855679 525077197 /nfs/dbraw/zinc/07/71/97/525077197.db2.gz DIXCDLUYRCWRCN-UHFFFAOYSA-N -1 0 414.487 3.257 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2cc(Br)cnc2N)ccc1Br ZINC000020467534 525287120 /nfs/dbraw/zinc/28/71/20/525287120.db2.gz ZTGKRHWKSZMRSQ-UHFFFAOYSA-N -1 0 421.114 3.298 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000641377 557032870 /nfs/dbraw/zinc/03/28/70/557032870.db2.gz PZXMPPHXLWVTFA-UHFFFAOYSA-N -1 0 402.259 3.462 50 0 HGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4c(=O)o3)cc1)C2=O ZINC000000707337 557064648 /nfs/dbraw/zinc/06/46/48/557064648.db2.gz PEGXYQWLLGILFP-UHFFFAOYSA-N -1 0 412.357 3.354 50 0 HGAARM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/NC(=O)NC3=O)cc2Cl)cc1 ZINC000001101252 557178991 /nfs/dbraw/zinc/17/89/91/557178991.db2.gz XBTDPDAMSTXJPR-VGOFMYFVSA-N -1 0 407.209 3.451 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001141901 557204687 /nfs/dbraw/zinc/20/46/87/557204687.db2.gz YQWJFHIEFDXOHP-UHFFFAOYSA-N -1 0 400.390 3.433 50 0 HGAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1Br ZINC000001159504 557217315 /nfs/dbraw/zinc/21/73/15/557217315.db2.gz IVNQQSMBVKGYIY-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002099385 557313398 /nfs/dbraw/zinc/31/33/98/557313398.db2.gz MGHCIGMRLGCRMV-QUJCMNEKSA-N -1 0 401.459 3.055 50 0 biogenic HGAARM Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cccc1C(=O)[O-] ZINC000002880957 557419088 /nfs/dbraw/zinc/41/90/88/557419088.db2.gz HPTDUCQJQYJKGK-UHFFFAOYSA-N -1 0 404.378 3.335 50 0 HGAARM CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000002991884 557437942 /nfs/dbraw/zinc/43/79/42/557437942.db2.gz RPUYHWIQLFRTBZ-UHFFFAOYSA-N -1 0 416.484 3.155 50 0 HGAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034763646 557461069 /nfs/dbraw/zinc/46/10/69/557461069.db2.gz GHNVUEUDZDKJSP-MRXNPFEDSA-N -1 0 421.501 3.108 50 0 HGAARM COc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)cc1OC ZINC000034766058 557462193 /nfs/dbraw/zinc/46/21/93/557462193.db2.gz HUALEGFMNXJPBG-AWEZNQCLSA-N -1 0 408.458 3.071 50 0 HGAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004535621 557564458 /nfs/dbraw/zinc/56/44/58/557564458.db2.gz IBOXOGVHBFUSFH-PMACEKPBSA-N -1 0 412.486 3.140 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000004551031 557566035 /nfs/dbraw/zinc/56/60/35/557566035.db2.gz NBOXOZXHBJYBDY-FQEVSTJZSA-N -1 0 414.417 3.231 50 0 HGAARM COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C1=O ZINC000004694722 557582181 /nfs/dbraw/zinc/58/21/81/557582181.db2.gz HDRLGVSTRJRFJN-RUDMXATFSA-N -1 0 406.641 3.017 50 0 HGAARM CCc1nnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000004731533 557587893 /nfs/dbraw/zinc/58/78/93/557587893.db2.gz IIMVRUNNZZBNBG-UHFFFAOYSA-N -1 0 402.501 3.462 50 0 HGAARM O=S(=O)(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 ZINC000004742219 557591133 /nfs/dbraw/zinc/59/11/33/557591133.db2.gz GCLZHGSDGKHGFK-UHFFFAOYSA-N -1 0 412.508 3.238 50 0 HGAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1O ZINC000004949436 557616323 /nfs/dbraw/zinc/61/63/23/557616323.db2.gz JSWIPTCAKADIAK-JQBYJRRVSA-N -1 0 411.413 3.487 50 0 HGAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)c1 ZINC000005483498 557656562 /nfs/dbraw/zinc/65/65/62/557656562.db2.gz LPJLKLIEXZSNMS-SFHVURJKSA-N -1 0 403.442 3.335 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1C(C)C ZINC000006706781 557716525 /nfs/dbraw/zinc/71/65/25/557716525.db2.gz HOUZTJGNQPAFSR-UHFFFAOYSA-N -1 0 418.515 3.092 50 0 HGAARM COc1ccc(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)c(OC)c1 ZINC000006736125 557718393 /nfs/dbraw/zinc/71/83/93/557718393.db2.gz SQBAENTVDPIHNY-GOSISDBHSA-N -1 0 403.442 3.335 50 0 HGAARM Cc1c(C(=O)N(C)C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002760200 557758437 /nfs/dbraw/zinc/75/84/37/557758437.db2.gz GZICANRPHQGORW-QWHCGFSZSA-N -1 0 424.519 3.153 50 0 HGAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3nn(CC)cc3Br)c2=O)s1 ZINC000002781887 557758585 /nfs/dbraw/zinc/75/85/85/557758585.db2.gz UDWVAHDFILQSHW-UHFFFAOYSA-N -1 0 424.324 3.082 50 0 HGAARM COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000008442928 557789998 /nfs/dbraw/zinc/78/99/98/557789998.db2.gz RUSHRRYPSDLCCP-UHFFFAOYSA-N -1 0 416.389 3.446 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000012376224 558392113 /nfs/dbraw/zinc/39/21/13/558392113.db2.gz VILADZIXPVMATB-ZAQQZEBGSA-N -1 0 420.490 3.331 50 0 HGAARM COc1cc2c(cc1OC)C([O-])=C(S(=O)(=O)c1ccc(Br)cc1)C2 ZINC000020725072 558404463 /nfs/dbraw/zinc/40/44/63/558404463.db2.gz ZOGRZAKAJBITJN-MRXNPFEDSA-N -1 0 411.273 3.048 50 0 HGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Cl)c1Cl ZINC000012630711 558441823 /nfs/dbraw/zinc/44/18/23/558441823.db2.gz KRNILZANWZRPDX-UHFFFAOYSA-N -1 0 421.327 3.235 50 0 HGAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022415788 558488145 /nfs/dbraw/zinc/48/81/45/558488145.db2.gz LAONDXSTAOCGFU-UHFFFAOYSA-N -1 0 405.382 3.409 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3oc(=O)ccc3c1)O[C@@H](C)C2 ZINC000023015761 558530513 /nfs/dbraw/zinc/53/05/13/558530513.db2.gz UDCNJJMBXGKOPZ-LBPRGKRZSA-N -1 0 401.440 3.316 50 0 HGAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000010903695 558556709 /nfs/dbraw/zinc/55/67/09/558556709.db2.gz VTZTYHAXFPJWAB-UHFFFAOYSA-N -1 0 422.510 3.114 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NCc3ccccc3)cc2)no1 ZINC000013659227 558559538 /nfs/dbraw/zinc/55/95/38/558559538.db2.gz KAAPIQDRYUXBPN-UHFFFAOYSA-N -1 0 402.501 3.270 50 0 HGAARM O=C(NCc1ccncc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013726110 558584309 /nfs/dbraw/zinc/58/43/09/558584309.db2.gz MQKMMGBIFOFJNP-UHFFFAOYSA-N -1 0 424.507 3.422 50 0 HGAARM COCCNC(=O)[C@@H](C)SCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000025689040 558647903 /nfs/dbraw/zinc/64/79/03/558647903.db2.gz CHTLFVGNTTYPAU-LLVKDONJSA-N -1 0 421.519 3.175 50 0 HGAARM Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000015307163 558731447 /nfs/dbraw/zinc/73/14/47/558731447.db2.gz SUJCASRVBWTROS-UHFFFAOYSA-N -1 0 417.878 3.362 50 0 HGAARM COc1cc(OC)c(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1Br ZINC000016956625 558810115 /nfs/dbraw/zinc/81/01/15/558810115.db2.gz SBLYZPHWNGLXAN-XGICHPGQSA-N -1 0 400.254 3.111 50 0 HGAARM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2s1 ZINC000033007530 558828317 /nfs/dbraw/zinc/82/83/17/558828317.db2.gz NFWUTJKPGNHSIJ-UHFFFAOYSA-N -1 0 421.500 3.463 50 0 HGAARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O ZINC000001192526 558837031 /nfs/dbraw/zinc/83/70/31/558837031.db2.gz YWQKZJSINSQMLH-UKTHLTGXSA-N -1 0 412.398 3.228 50 0 HGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC000013696981 558856551 /nfs/dbraw/zinc/85/65/51/558856551.db2.gz FNTUZTNGJWZWQX-UHFFFAOYSA-N -1 0 400.500 3.494 50 0 HGAARM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000058245677 558914767 /nfs/dbraw/zinc/91/47/67/558914767.db2.gz NPIWQRXIHYJVDG-UHFFFAOYSA-N -1 0 413.377 3.173 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000097940843 558946857 /nfs/dbraw/zinc/94/68/57/558946857.db2.gz DQARAUQFWUWNQI-UHFFFAOYSA-N -1 0 414.487 3.323 50 0 HGAARM COc1cc(C2=N/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)O2)ccc1OC(F)F ZINC000096635180 558982948 /nfs/dbraw/zinc/98/29/48/558982948.db2.gz ZPNAMBQYYJEJCG-RIYZIHGNSA-N -1 0 419.336 3.105 50 0 HGAARM O=C([O-])CN1C(=O)/C(=C/c2cc(Br)ccc2OC(F)F)SC1=S ZINC000071795537 558991786 /nfs/dbraw/zinc/99/17/86/558991786.db2.gz VKPOKVASDSPBNW-WTKPLQERSA-N -1 0 424.244 3.336 50 0 HGAARM O=C(O[C@H]1CCOC1=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000011255018 559014606 /nfs/dbraw/zinc/01/46/06/559014606.db2.gz YCFIHXGDRPOIKF-INIZCTEOSA-N -1 0 417.464 3.174 50 0 HGAARM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000033298986 559048292 /nfs/dbraw/zinc/04/82/92/559048292.db2.gz LTPAWAQQPLYQCQ-UHFFFAOYSA-N -1 0 402.906 3.154 50 0 HGAARM CC(C)(C)OC(=O)N1CCC[C@H](C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000095914988 559088924 /nfs/dbraw/zinc/08/89/24/559088924.db2.gz MAKOAGMZGLJQPR-SJORKVTESA-N -1 0 406.479 3.403 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 ZINC000024070309 559189648 /nfs/dbraw/zinc/18/96/48/559189648.db2.gz FYNRNTGLAVTMDS-UHFFFAOYSA-N -1 0 414.574 3.340 50 0 HGAARM Cc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000004863649 559193448 /nfs/dbraw/zinc/19/34/48/559193448.db2.gz DOIOVNGUJOPLFR-FQEVSTJZSA-N -1 0 403.438 3.379 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000004865488 559193763 /nfs/dbraw/zinc/19/37/63/559193763.db2.gz LYBPKKPDRHMTSV-HOTGVXAUSA-N -1 0 412.515 3.353 50 0 HGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2 ZINC000004914302 559203266 /nfs/dbraw/zinc/20/32/66/559203266.db2.gz JSKCGKALNNHKLZ-UHFFFAOYSA-N -1 0 411.501 3.232 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000257360749 559213941 /nfs/dbraw/zinc/21/39/41/559213941.db2.gz BHQCQFFYRZLCQQ-SRVKFAITSA-N -1 0 408.579 3.449 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NCc4ccc(F)cc4)c3=O)c2c1 ZINC000004951565 559215843 /nfs/dbraw/zinc/21/58/43/559215843.db2.gz QIZYHADTOSMHQD-UHFFFAOYSA-N -1 0 412.446 3.004 50 0 HGAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000100697738 559257258 /nfs/dbraw/zinc/25/72/58/559257258.db2.gz MRMCMHRDXQOQEK-UHFFFAOYSA-N -1 0 408.454 3.412 50 0 HGAARM COc1cc2nc(SCc3cc(C(=O)[O-])cc4c3OCOC4)[nH]c2cc1OC ZINC000011945278 559269072 /nfs/dbraw/zinc/26/90/72/559269072.db2.gz TUQIDSPEJHIRTK-UHFFFAOYSA-N -1 0 402.428 3.437 50 0 HGAARM CCc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O ZINC000245241058 559273023 /nfs/dbraw/zinc/27/30/23/559273023.db2.gz WQXKOBYLQWJFPY-WKILWMFISA-N -1 0 415.486 3.358 50 0 HGAARM O=C([O-])c1cccc2c1N(S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000253398163 559280312 /nfs/dbraw/zinc/28/03/12/559280312.db2.gz OBDBCDBGLYIFSV-UHFFFAOYSA-N -1 0 403.790 3.391 50 0 HGAARM CNC(=O)c1ccsc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005184570 559290448 /nfs/dbraw/zinc/29/04/48/559290448.db2.gz XESCNJNREYPWMB-UHFFFAOYSA-N -1 0 415.496 3.161 50 0 HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000005204363 560538556 /nfs/dbraw/zinc/53/85/56/560538556.db2.gz XBTAKELRNRSYJC-UHFFFAOYSA-N -1 0 410.455 3.100 50 0 HGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000005351037 560569058 /nfs/dbraw/zinc/56/90/58/560569058.db2.gz CJHHTIKGKYERQE-UHFFFAOYSA-N -1 0 401.802 3.413 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 ZINC000017304252 560707092 /nfs/dbraw/zinc/70/70/92/560707092.db2.gz LEYNVWDSAIFBNA-UHFFFAOYSA-N -1 0 422.466 3.047 50 0 HGAARM Cc1cc(C)nc(-n2[n-]c3[nH]c(CSc4ccc(Cl)cc4)cc(=O)c3c2=O)n1 ZINC000018029748 560772152 /nfs/dbraw/zinc/77/21/52/560772152.db2.gz ZTWGSXRPCZRHAT-UHFFFAOYSA-N -1 0 413.890 3.360 50 0 HGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000101262253 560789919 /nfs/dbraw/zinc/78/99/19/560789919.db2.gz FMEDRQKPBODNSC-RTBURBONSA-N -1 0 416.441 3.353 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)cc1 ZINC000101272253 560790946 /nfs/dbraw/zinc/79/09/46/560790946.db2.gz VZACLBIXFOITGF-SJORKVTESA-N -1 0 422.832 3.192 50 0 HGAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101417097 560794794 /nfs/dbraw/zinc/79/47/94/560794794.db2.gz LMUKJIPTFKIWLY-WOJBJXKFSA-N -1 0 405.458 3.050 50 0 HGAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)c([O-])[nH]c1=S ZINC000101456803 560795657 /nfs/dbraw/zinc/79/56/57/560795657.db2.gz ZRVDZRQSMROLPV-HNNXBMFYSA-N -1 0 416.503 3.118 50 0 HGAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccccc3)C2)c([O-])[nH]c1=S ZINC000101495276 560796253 /nfs/dbraw/zinc/79/62/53/560796253.db2.gz IWEZOTWQYAZHNS-HNNXBMFYSA-N -1 0 400.504 3.499 50 0 HGAARM CC(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1 ZINC000101763142 560800803 /nfs/dbraw/zinc/80/08/03/560800803.db2.gz XWHKKHOZPPIPMN-KRWDZBQOSA-N -1 0 424.888 3.447 50 0 HGAARM Cc1ccc(-c2nn3c([n-]2)nc(CN2CCN(c4ccccc4)CC2)cc3=O)cc1C ZINC000101842200 560801219 /nfs/dbraw/zinc/80/12/19/560801219.db2.gz YKXNDTAZWGGBFS-UHFFFAOYSA-N -1 0 414.513 3.024 50 0 HGAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccccc1F ZINC000101836129 560803536 /nfs/dbraw/zinc/80/35/36/560803536.db2.gz YMVBYGPGLPGKCG-KRWDZBQOSA-N -1 0 408.389 3.267 50 0 HGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4OC)cnn32)cc1 ZINC000102820903 560829657 /nfs/dbraw/zinc/82/96/57/560829657.db2.gz QPOFAPKBIGQQKM-GOSISDBHSA-N -1 0 420.425 3.136 50 0 HGAARM CCOC(=O)[C@@H]1CCCN([C@H](c2cccs2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000102896692 560834793 /nfs/dbraw/zinc/83/47/93/560834793.db2.gz UDDGGNMQFSPRFE-IUODEOHRSA-N -1 0 420.560 3.485 50 0 HGAARM COCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282226 560851654 /nfs/dbraw/zinc/85/16/54/560851654.db2.gz QLTURXNNTZSQST-UHFFFAOYSA-N -1 0 410.861 3.238 50 0 HGAARM CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854264 568415622 /nfs/dbraw/zinc/41/56/22/568415622.db2.gz XCYNIZZRLSXEAL-CQSZACIVSA-N -1 0 412.437 3.499 50 0 HGAARM Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c([O-])c12 ZINC000049008048 568445071 /nfs/dbraw/zinc/44/50/71/568445071.db2.gz JYVYHXWVHUVCMX-UHFFFAOYSA-N -1 0 423.853 3.350 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)c(F)c1 ZINC000012321709 568471031 /nfs/dbraw/zinc/47/10/31/568471031.db2.gz JYDOYDAJSLJECG-FQEVSTJZSA-N -1 0 422.416 3.320 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NCCc4ccccc4)c3=O)c2c1 ZINC000020330311 568599375 /nfs/dbraw/zinc/59/93/75/568599375.db2.gz MAMIYRKFBFRMHP-UHFFFAOYSA-N -1 0 422.510 3.298 50 0 HGAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000095351580 568601099 /nfs/dbraw/zinc/60/10/99/568601099.db2.gz OMIARYYPJFVSEV-UHFFFAOYSA-N -1 0 409.423 3.174 50 0 HGAARM Cc1cnn(-c2ccc(C(N)=O)cc2[N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000095460455 568620206 /nfs/dbraw/zinc/62/02/06/568620206.db2.gz IARFEGSVHPECTL-UHFFFAOYSA-N -1 0 404.879 3.042 50 0 HGAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccc2c(c1)OCO2 ZINC000095466379 568624372 /nfs/dbraw/zinc/62/43/72/568624372.db2.gz BYQOJFSRSKTBRM-UHFFFAOYSA-N -1 0 417.491 3.309 50 0 HGAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)n1C ZINC000021030275 568659253 /nfs/dbraw/zinc/65/92/53/568659253.db2.gz LTPRIMSXVDLRGS-UHFFFAOYSA-N -1 0 407.511 3.454 50 0 HGAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000021045909 568660162 /nfs/dbraw/zinc/66/01/62/568660162.db2.gz QXHRKTHXVPKZJG-IBGZPJMESA-N -1 0 412.486 3.333 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c1 ZINC000021155799 568673721 /nfs/dbraw/zinc/67/37/21/568673721.db2.gz FCKXTWOPNPCOES-UHFFFAOYSA-N -1 0 419.547 3.323 50 0 HGAARM O=S(=O)([N-]CCn1nc(C(F)(F)F)c2c1CCCC2)c1c(F)cccc1F ZINC000096121570 568699712 /nfs/dbraw/zinc/69/97/12/568699712.db2.gz PAONWNOGBFQWLD-UHFFFAOYSA-N -1 0 409.380 3.037 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1Br ZINC000058419249 568699829 /nfs/dbraw/zinc/69/98/29/568699829.db2.gz HHHUSBWBQQURAK-UHFFFAOYSA-N -1 0 422.203 3.235 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000000849906 568711029 /nfs/dbraw/zinc/71/10/29/568711029.db2.gz KFEXLDHFIBTCOI-YRSZXAOTSA-N -1 0 413.404 3.461 50 0 HGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000096286232 568719189 /nfs/dbraw/zinc/71/91/89/568719189.db2.gz NPFMXYGODPVCEH-SFTDATJTSA-N -1 0 419.485 3.359 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1C ZINC000096286235 568719309 /nfs/dbraw/zinc/71/93/09/568719309.db2.gz JUSHDLQADJKNTH-LEWJYISDSA-N -1 0 419.485 3.359 50 0 HGAARM Cc1cc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000096319791 568728283 /nfs/dbraw/zinc/72/82/83/568728283.db2.gz RSCSQECSIOPVKF-NHCUHLMSSA-N -1 0 419.485 3.161 50 0 HGAARM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c[nH]2)o1 ZINC000096321613 568728950 /nfs/dbraw/zinc/72/89/50/568728950.db2.gz OPRRSNCUPOSEAK-UHFFFAOYSA-N -1 0 411.281 3.499 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000096322230 568730000 /nfs/dbraw/zinc/73/00/00/568730000.db2.gz LGWIOLWCQNYTCG-UHFFFAOYSA-N -1 0 403.435 3.216 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000096361024 568738887 /nfs/dbraw/zinc/73/88/87/568738887.db2.gz PPKWQJFZSLZQSW-UHFFFAOYSA-N -1 0 414.487 3.397 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000096361253 568739134 /nfs/dbraw/zinc/73/91/34/568739134.db2.gz UATDRWYKHBFOMN-UHFFFAOYSA-N -1 0 404.879 3.102 50 0 HGAARM O=C(NCCC1=CCCCC1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361298 568739275 /nfs/dbraw/zinc/73/92/75/568739275.db2.gz YSGQJWMIGBHJBD-UHFFFAOYSA-N -1 0 408.911 3.484 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000096361283 568739314 /nfs/dbraw/zinc/73/93/14/568739314.db2.gz QNKUWWWLGIXQDM-AWEZNQCLSA-N -1 0 414.487 3.100 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)s1 ZINC000000945085 568754413 /nfs/dbraw/zinc/75/44/13/568754413.db2.gz QEXDASRGZAXVEO-UHFFFAOYSA-N -1 0 424.454 3.432 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)ncn1 ZINC000000945106 568754545 /nfs/dbraw/zinc/75/45/45/568754545.db2.gz UODJTLCFURCBNY-UHFFFAOYSA-N -1 0 418.862 3.192 50 0 HGAARM O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002623060 568788319 /nfs/dbraw/zinc/78/83/19/568788319.db2.gz PTJSUKPTPJULHX-UHFFFAOYSA-N -1 0 420.853 3.251 50 0 HGAARM COc1ccc(NC(=O)CCc2nnc(-c3ccc(F)c(F)c3)[n-]c2=O)cc1OC ZINC000034768365 568825917 /nfs/dbraw/zinc/82/59/17/568825917.db2.gz YAWIESYBNCZWIY-UHFFFAOYSA-N -1 0 416.384 3.111 50 0 HGAARM CCc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000031666073 568837413 /nfs/dbraw/zinc/83/74/13/568837413.db2.gz QQBKPTWYMQNQOU-UHFFFAOYSA-N -1 0 411.277 3.143 50 0 HGAARM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000012532538 568844615 /nfs/dbraw/zinc/84/46/15/568844615.db2.gz GHQAHQBEWZTAAJ-UHFFFAOYSA-N -1 0 403.773 3.135 50 0 HGAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012561145 568858490 /nfs/dbraw/zinc/85/84/90/568858490.db2.gz BSOKIYMQOCMGNU-UHFFFAOYSA-N -1 0 417.512 3.484 50 0 HGAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000004026865 568878197 /nfs/dbraw/zinc/87/81/97/568878197.db2.gz CMBDKCKWKSHDKO-IFXJQAMLSA-N -1 0 407.422 3.303 50 0 biogenic HGAARM CCN(CC)C(=O)COc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000031721164 568929757 /nfs/dbraw/zinc/92/97/57/568929757.db2.gz YLJHMEYCOHLYDR-UHFFFAOYSA-N -1 0 402.925 3.450 50 0 HGAARM O=C([O-])c1ccc(CSCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012743535 568930108 /nfs/dbraw/zinc/93/01/08/568930108.db2.gz FCSRKCFDRHHPQF-UHFFFAOYSA-N -1 0 412.511 3.495 50 0 HGAARM CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@@H](c1ccc(OC)c(O)c1)N(C)C2=O ZINC000003958620 568930552 /nfs/dbraw/zinc/93/05/52/568930552.db2.gz ALMUSAFRGODVHG-VQTJNVASSA-N -1 0 415.442 3.193 50 0 HGAARM Cc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccsc3)n2CC(=O)[O-])c1 ZINC000012782292 568958380 /nfs/dbraw/zinc/95/83/80/568958380.db2.gz YQDQPOKRBCWRQD-UHFFFAOYSA-N -1 0 416.528 3.150 50 0 HGAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1cccc(F)c1 ZINC000015731510 568982123 /nfs/dbraw/zinc/98/21/23/568982123.db2.gz RYHZMFWUWPQXPP-UHFFFAOYSA-N -1 0 400.431 3.493 50 0 HGAARM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012858866 569011406 /nfs/dbraw/zinc/01/14/06/569011406.db2.gz VHGFTDPJTUPIRU-UHFFFAOYSA-N -1 0 411.483 3.121 50 0 HGAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000012901416 569020798 /nfs/dbraw/zinc/02/07/98/569020798.db2.gz OEKUPHHOEWMBRL-INIZCTEOSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM Cc1cc(NC(=O)C(=O)[O-])n(-c2nc3ccccc3n2Cc2ccccc2Cl)n1 ZINC000006315024 569040232 /nfs/dbraw/zinc/04/02/32/569040232.db2.gz FTOOGDILKDAQAZ-UHFFFAOYSA-N -1 0 409.833 3.255 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)c1 ZINC000035506362 569040918 /nfs/dbraw/zinc/04/09/18/569040918.db2.gz XKEJKFFMFVKVFV-HNNXBMFYSA-N -1 0 402.406 3.238 50 0 HGAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c1 ZINC000035539073 569043615 /nfs/dbraw/zinc/04/36/15/569043615.db2.gz YCJURZXOBTZSRB-UHFFFAOYSA-N -1 0 407.473 3.392 50 0 HGAARM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035581150 569046091 /nfs/dbraw/zinc/04/60/91/569046091.db2.gz ULAGRRUPIPJJSS-YWZLYKJASA-N -1 0 421.453 3.343 50 0 HGAARM COc1cc(C(=O)NCc2n[n-]c(=S)n2-c2ccc(F)cc2)cc(OC)c1OC ZINC000006414242 569046913 /nfs/dbraw/zinc/04/69/13/569046913.db2.gz OHJDKHHHNQFZRQ-UHFFFAOYSA-N -1 0 418.450 3.025 50 0 HGAARM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3S(=O)(=O)[O-])c2cc1OC ZINC000001827672 569056247 /nfs/dbraw/zinc/05/62/47/569056247.db2.gz JNZBTPZSMODXSL-UHFFFAOYSA-N -1 0 419.455 3.107 50 0 biogenic HGAARM CCOc1ccccc1NC(=S)N[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000006518419 569062764 /nfs/dbraw/zinc/06/27/64/569062764.db2.gz WSIRNJDOQXHZCJ-UHFFFAOYSA-N -1 0 401.513 3.418 50 0 HGAARM CC(=O)c1ccc(-c2ccc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)o2)cc1 ZINC000006654079 569082768 /nfs/dbraw/zinc/08/27/68/569082768.db2.gz BENPHSGPEBQKCH-QHCPKHFHSA-N -1 0 417.421 3.261 50 0 HGAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104927 569092782 /nfs/dbraw/zinc/09/27/82/569092782.db2.gz JXXKXCCXVHPUAS-XNJGSVPQSA-N -1 0 402.520 3.266 50 0 HGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cccc(Br)c2)c(C)n1C ZINC000064863366 569111678 /nfs/dbraw/zinc/11/16/78/569111678.db2.gz NGKXPHWVQSAFFF-UHFFFAOYSA-N -1 0 415.309 3.382 50 0 HGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1 ZINC000064979557 569141007 /nfs/dbraw/zinc/14/10/07/569141007.db2.gz FVTVRIBNZQYGRP-UHFFFAOYSA-N -1 0 402.428 3.328 50 0 HGAARM CCN1CC[NH+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036353127 569147564 /nfs/dbraw/zinc/14/75/64/569147564.db2.gz YYHIJXYAODLUGM-JOCHJYFZSA-N -1 0 421.497 3.151 50 0 HGAARM COC(=O)c1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)c1 ZINC000065150521 569184951 /nfs/dbraw/zinc/18/49/51/569184951.db2.gz QJIGGLVPRNCAIS-JTQLQIEISA-N -1 0 412.467 3.459 50 0 HGAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)c(C)n2C)o1 ZINC000065186523 569192092 /nfs/dbraw/zinc/19/20/92/569192092.db2.gz MQAGVXFNHUJERF-UHFFFAOYSA-N -1 0 404.492 3.372 50 0 HGAARM Cc1ccccc1CNC(=O)c1c([O-])c2cnn(-c3ccc(Cl)cc3)c2[nH]c1=O ZINC000065249915 569205896 /nfs/dbraw/zinc/20/58/96/569205896.db2.gz VMMIOYZVPLWYHK-UHFFFAOYSA-N -1 0 408.845 3.311 50 0 HGAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cnn(-c3ccc(C)cc3)c2[nH]c1=O ZINC000065249980 569206024 /nfs/dbraw/zinc/20/60/24/569206024.db2.gz CJBDYGPOOFUMSN-UHFFFAOYSA-N -1 0 404.426 3.297 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](C)CC2)cc1 ZINC000170613054 569246783 /nfs/dbraw/zinc/24/67/83/569246783.db2.gz ZKSQULWTMKYYSS-OAHLLOKOSA-N -1 0 420.556 3.464 50 0 HGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCc4ccccn4)c3=O)c2c1 ZINC000009909048 569251855 /nfs/dbraw/zinc/25/18/55/569251855.db2.gz LGTFZZGKLOMOLB-UHFFFAOYSA-N -1 0 423.498 3.041 50 0 HGAARM CCn1cc(C(=O)c2ccccc2[O-])cc1-c1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000010024820 569252778 /nfs/dbraw/zinc/25/27/78/569252778.db2.gz KICCZWKZDVYHEJ-UHFFFAOYSA-N -1 0 419.437 3.365 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 ZINC000016954550 569268487 /nfs/dbraw/zinc/26/84/87/569268487.db2.gz LNMBNWAJXIUQLB-UHFFFAOYSA-N -1 0 419.409 3.422 50 0 HGAARM CCOc1ccc(-c2nc(NC(=O)CSc3nc([O-])cc(=O)[nH]3)sc2C)cc1 ZINC000003016781 569278489 /nfs/dbraw/zinc/27/84/89/569278489.db2.gz ITFWWQWHZCMHMX-UHFFFAOYSA-N -1 0 418.500 3.037 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002095978 569280957 /nfs/dbraw/zinc/28/09/57/569280957.db2.gz PBKLZGWBZVBQNV-NRFANRHFSA-N -1 0 409.438 3.375 50 0 biogenic HGAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002118263 569284803 /nfs/dbraw/zinc/28/48/03/569284803.db2.gz ZIJZMHVMJCIGHL-SUMWQHHRSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)[O-])s3)[C@@H](c3ccccc3)C2)cc1 ZINC000252493910 569290730 /nfs/dbraw/zinc/29/07/30/569290730.db2.gz NGHDDHMVLIPUQN-QZTJIDSGSA-N -1 0 409.467 3.319 50 0 HGAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCc2ccccc2C1 ZINC000002975217 569322772 /nfs/dbraw/zinc/32/27/72/569322772.db2.gz LVWIXINAGAFEGG-UHFFFAOYSA-N -1 0 423.494 3.153 50 0 HGAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000253425472 569368154 /nfs/dbraw/zinc/36/81/54/569368154.db2.gz UCYWJNNRMCIMIK-ZJUUUORDSA-N -1 0 407.225 3.275 50 0 HGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccc(N4CCCCC4=O)c3)c1)CCC2 ZINC000040156791 571203769 /nfs/dbraw/zinc/20/37/69/571203769.db2.gz LECNTFMPXNUGJV-UHFFFAOYSA-N -1 0 414.483 3.191 50 0 HGAARM Cc1[n-]n2c(nc(SCC(=O)Nc3ccccc3F)nc2=O)c1-c1ccccc1 ZINC000009107445 571221866 /nfs/dbraw/zinc/22/18/66/571221866.db2.gz VNLJGTXKXKABSK-UHFFFAOYSA-N -1 0 409.446 3.263 50 0 HGAARM CS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)nn1 ZINC000009650579 571276639 /nfs/dbraw/zinc/27/66/39/571276639.db2.gz SHBULDLWBBRUII-UHFFFAOYSA-N -1 0 423.903 3.001 50 0 HGAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCC1 ZINC000009684828 571279564 /nfs/dbraw/zinc/27/95/64/571279564.db2.gz NWFLJAIJWLQVDT-UHFFFAOYSA-N -1 0 405.520 3.077 50 0 HGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccc(F)cc1F ZINC000009761973 571284597 /nfs/dbraw/zinc/28/45/97/571284597.db2.gz KFYMZPWBFAWKLD-UHFFFAOYSA-N -1 0 417.846 3.460 50 0 HGAARM Cc1cc2oc(=O)cc(COC(=O)c3ccccc3[N-]S(C)(=O)=O)c2cc1Cl ZINC000010265593 571298798 /nfs/dbraw/zinc/29/87/98/571298798.db2.gz GCBIVHITGLJGEJ-UHFFFAOYSA-N -1 0 421.858 3.483 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 ZINC000005136579 132302801 /nfs/dbraw/zinc/30/28/01/132302801.db2.gz CFCOSJHOBHYXLV-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM COc1ccccc1N1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(Cl)cc3)NN2)C1=O ZINC000009043443 132335034 /nfs/dbraw/zinc/33/50/34/132335034.db2.gz CJESAWNHQZTVJS-FSLWVPIDSA-N -1 0 412.833 3.265 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)CC1 ZINC000032946808 520962554 /nfs/dbraw/zinc/96/25/54/520962554.db2.gz QCTOREBXSYTJLR-UHFFFAOYSA-N -1 0 415.421 3.055 50 0 HGAARM CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1F ZINC000072301306 521129721 /nfs/dbraw/zinc/12/97/21/521129721.db2.gz QPDKRPVIMPIIFI-UHFFFAOYSA-N -1 0 418.240 3.486 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCCCCC3)nc2)c1 ZINC000032809301 521690218 /nfs/dbraw/zinc/69/02/18/521690218.db2.gz FLEPMVARPCJMTG-UHFFFAOYSA-N -1 0 403.504 3.214 50 0 HGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H]2C[C@H](C)OC2=O)c(C)c1 ZINC000032879581 524326390 /nfs/dbraw/zinc/32/63/90/524326390.db2.gz KZASZQMIJKSXFD-YJBOKZPZSA-N -1 0 417.483 3.273 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000032971102 525078035 /nfs/dbraw/zinc/07/80/35/525078035.db2.gz DMVRGVAALDCWMM-UHFFFAOYSA-N -1 0 404.488 3.431 50 0 HGAARM Cc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1 ZINC000032836329 525242764 /nfs/dbraw/zinc/24/27/64/525242764.db2.gz IHRNVAVJVZHYEX-UHFFFAOYSA-N -1 0 410.455 3.055 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000000622481 557019652 /nfs/dbraw/zinc/01/96/52/557019652.db2.gz KFEMQBROBHMUBC-UHFFFAOYSA-N -1 0 401.444 3.353 50 0 HGAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1 ZINC000000622378 557019670 /nfs/dbraw/zinc/01/96/70/557019670.db2.gz QGJMEBLBQUXRJV-UHFFFAOYSA-N -1 0 401.444 3.353 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)no1 ZINC000000675248 557052031 /nfs/dbraw/zinc/05/20/31/557052031.db2.gz VMNVSBAQPWCOGU-UHFFFAOYSA-N -1 0 421.862 3.455 50 0 aggregator HGAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000000682285 557056262 /nfs/dbraw/zinc/05/62/62/557056262.db2.gz VNMYCAYEUAVTRO-UHFFFAOYSA-N -1 0 412.471 3.155 50 0 HGAARM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000702676 557062468 /nfs/dbraw/zinc/06/24/68/557062468.db2.gz CETXACRJSGFJPD-GFCCVEGCSA-N -1 0 421.475 3.489 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 ZINC000000898241 557113599 /nfs/dbraw/zinc/11/35/99/557113599.db2.gz YZRNZFKVJATFCD-UHFFFAOYSA-N -1 0 402.863 3.492 50 0 HGAARM COC(=O)c1cc(=O)c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2[n-]1 ZINC000001043837 557154885 /nfs/dbraw/zinc/15/48/85/557154885.db2.gz UQGCQKMGTSJJOS-UHFFFAOYSA-N -1 0 406.316 3.466 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000001141757 557204633 /nfs/dbraw/zinc/20/46/33/557204633.db2.gz NDINGFJZOCYOFC-UHFFFAOYSA-N -1 0 400.390 3.433 50 0 HGAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1ccc(Cl)cc1 ZINC000001231059 557249681 /nfs/dbraw/zinc/24/96/81/557249681.db2.gz NJEBYETWXJDJPG-UHFFFAOYSA-N -1 0 401.875 3.451 50 0 HGAARM O=C(NCCCn1ccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000003126464 557449043 /nfs/dbraw/zinc/44/90/43/557449043.db2.gz RSISPWUDHVHDMZ-UHFFFAOYSA-N -1 0 418.906 3.157 50 0 HGAARM O=C(CCc1nnc(-c2ccc(F)c(Cl)c2)[n-]c1=O)NCc1ccc(F)cc1 ZINC000034768634 557463336 /nfs/dbraw/zinc/46/33/36/557463336.db2.gz IAVIQNQASSJIMK-UHFFFAOYSA-N -1 0 404.804 3.425 50 0 HGAARM C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000004023172 557505562 /nfs/dbraw/zinc/50/55/62/557505562.db2.gz CIPDGAJKNINTBP-WLYUNCDWSA-N -1 0 413.470 3.056 50 0 biogenic HGAARM COc1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004377491 557548923 /nfs/dbraw/zinc/54/89/23/557548923.db2.gz WOUOXOYLPRMEPB-AWEZNQCLSA-N -1 0 403.431 3.308 50 0 HGAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000004675168 557579848 /nfs/dbraw/zinc/57/98/48/557579848.db2.gz VFMZSUNBZSHWOU-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000004757009 557594578 /nfs/dbraw/zinc/59/45/78/557594578.db2.gz IUMOXHAOXBMCEE-UHFFFAOYSA-N -1 0 410.495 3.469 50 0 HGAARM CCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1 ZINC000005047501 557629696 /nfs/dbraw/zinc/62/96/96/557629696.db2.gz KDDJLVLQCHVUNJ-KEYYUXOJSA-N -1 0 414.405 3.251 50 0 HGAARM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c(OC)c1OC ZINC000005488476 557657230 /nfs/dbraw/zinc/65/72/30/557657230.db2.gz SPVDGHGZUITBBQ-INIZCTEOSA-N -1 0 405.472 3.347 50 0 HGAARM CCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002682867 557740150 /nfs/dbraw/zinc/74/01/50/557740150.db2.gz MVSMOZGSXFXETK-GFCCVEGCSA-N -1 0 412.726 3.284 50 0 HGAARM Cc1nn(C)cc1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002778022 557761041 /nfs/dbraw/zinc/76/10/41/557761041.db2.gz RKXJWQGFJAXDKJ-ZDUSSCGKSA-N -1 0 413.547 3.343 50 0 HGAARM CC(C)C(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000002905334 557771217 /nfs/dbraw/zinc/77/12/17/557771217.db2.gz KFIYAAIRBNCPOJ-GFCCVEGCSA-N -1 0 412.726 3.140 50 0 HGAARM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1C ZINC000008973626 557817032 /nfs/dbraw/zinc/81/70/32/557817032.db2.gz XAEMZAUJYDACPN-UHFFFAOYSA-N -1 0 423.878 3.161 50 0 HGAARM CCCc1cc2c(cc1[N-]S(=O)(=O)c1cc3oc(=O)n(C)c3cc1Cl)OCO2 ZINC000008973613 557817057 /nfs/dbraw/zinc/81/70/57/557817057.db2.gz YXXGKKPHDJHFDV-UHFFFAOYSA-N -1 0 424.862 3.267 50 0 HGAARM O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1O ZINC000009225093 557830142 /nfs/dbraw/zinc/83/01/42/557830142.db2.gz HOCVJFSQXISOMO-UHFFFAOYSA-N -1 0 408.410 3.271 50 0 HGAARM COc1cccc(C(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000019897642 558304184 /nfs/dbraw/zinc/30/41/84/558304184.db2.gz NIAQOEMIVOSHHD-UHFFFAOYSA-N -1 0 401.875 3.393 50 0 HGAARM CCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1 ZINC000012291700 558365720 /nfs/dbraw/zinc/36/57/20/558365720.db2.gz KDDJLVLQCHVUNJ-GRDNDAEWSA-N -1 0 414.405 3.251 50 0 HGAARM COc1ccc(F)cc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccc3nccnc3c2)C1 ZINC000012407922 558398921 /nfs/dbraw/zinc/39/89/21/558398921.db2.gz KBMAYINBHLWZAQ-IBGZPJMESA-N -1 0 422.416 3.320 50 0 HGAARM CSCC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000012462103 558419378 /nfs/dbraw/zinc/41/93/78/558419378.db2.gz UKBOMXRLBDDYBQ-KRWDZBQOSA-N -1 0 410.499 3.179 50 0 biogenic,in-vitro HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@@H](C)C2 ZINC000021900834 558454755 /nfs/dbraw/zinc/45/47/55/558454755.db2.gz XKWTUIAIXDTKAM-ZDUSSCGKSA-N -1 0 405.472 3.371 50 0 HGAARM COc1ccc(-c2nnc(SCC(=O)NCc3cccc(Cl)c3)[n-]c2=O)cc1 ZINC000012976505 558491807 /nfs/dbraw/zinc/49/18/07/558491807.db2.gz MMEMTWUVLFWNKI-UHFFFAOYSA-N -1 0 416.890 3.315 50 0 HGAARM O=C([O-])c1cc(NC(=O)CCN2C(=O)S/C(=C/c3cccs3)C2=O)ccc1O ZINC000013574881 558543236 /nfs/dbraw/zinc/54/32/36/558543236.db2.gz UYNADHMRVGQHNM-NTEUORMPSA-N -1 0 418.452 3.217 50 0 HGAARM O=C([O-])c1cn([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)nn1 ZINC000400207959 558606347 /nfs/dbraw/zinc/60/63/47/558606347.db2.gz NMWJJDIMZCPSSJ-CQSZACIVSA-N -1 0 404.426 3.172 50 0 HGAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c2=O)cc1 ZINC000027526192 558673868 /nfs/dbraw/zinc/67/38/68/558673868.db2.gz MHIDKNCLXYWIGS-UHFFFAOYSA-N -1 0 410.455 3.055 50 0 HGAARM COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)ccc1OCC(=O)[O-] ZINC000015016150 558701789 /nfs/dbraw/zinc/70/17/89/558701789.db2.gz HXWHEWCKLLTZLR-MLPAPPSSSA-N -1 0 404.216 3.414 50 0 HGAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1ccc(OC(F)F)cc1)N(C)C2=O ZINC000004563680 558733202 /nfs/dbraw/zinc/73/32/02/558733202.db2.gz GJDUIJFVQKHSFC-IAGOWNOFSA-N -1 0 407.369 3.300 50 0 HGAARM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)nn2C)ccc1Br ZINC000072301885 558752137 /nfs/dbraw/zinc/75/21/37/558752137.db2.gz DBVZSTARJKXSCZ-UHFFFAOYSA-N -1 0 407.293 3.354 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)c1 ZINC000033274514 558764071 /nfs/dbraw/zinc/76/40/71/558764071.db2.gz CGQRPHCCKLZMGG-UHFFFAOYSA-N -1 0 418.515 3.061 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000001083499 558774994 /nfs/dbraw/zinc/77/49/94/558774994.db2.gz ZMGHLLPWDMAKED-RBUKOAKNSA-N -1 0 414.483 3.401 50 0 HGAARM CCOC(=O)[C@H]1CCCN([C@@H](c2cccs2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000004584760 558780300 /nfs/dbraw/zinc/78/03/00/558780300.db2.gz UDDGGNMQFSPRFE-WFASDCNBSA-N -1 0 420.560 3.485 50 0 HGAARM O=C([O-])C[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000034602197 558782173 /nfs/dbraw/zinc/78/21/73/558782173.db2.gz LHJJHUUMPVVEBX-IBGZPJMESA-N -1 0 414.458 3.463 50 0 HGAARM COc1ccc(/C=C/C(=O)[O-])cc1Cn1nc(C)c(I)c1C ZINC000034925010 558787743 /nfs/dbraw/zinc/78/77/43/558787743.db2.gz NQWQFTPGGNJHBI-FNORWQNLSA-N -1 0 412.227 3.259 50 0 HGAARM NC(=O)c1c(SCC(=O)c2ccc(Cl)s2)sc2c1[nH]c(=O)cc2[O-] ZINC000036353800 558799301 /nfs/dbraw/zinc/79/93/01/558799301.db2.gz BOYNZNARQMJYOE-UHFFFAOYSA-N -1 0 400.890 3.084 50 0 HGAARM 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/nfs/dbraw/zinc/87/62/24/558876224.db2.gz LAKHCAHCDPURNB-MRXNPFEDSA-N -1 0 407.538 3.159 50 0 HGAARM Cc1ccc(C(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)cc1F ZINC000097942084 558947928 /nfs/dbraw/zinc/94/79/28/558947928.db2.gz AZHALSPYWWTAGM-UHFFFAOYSA-N -1 0 402.429 3.336 50 0 HGAARM O=C([O-])CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000065337429 558971264 /nfs/dbraw/zinc/97/12/64/558971264.db2.gz DQZLGMVLRQSEPC-LJQANCHMSA-N -1 0 412.442 3.121 50 0 HGAARM C[C@H](Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097136869 558996436 /nfs/dbraw/zinc/99/64/36/558996436.db2.gz NIZLSMRPUAZPOQ-INIZCTEOSA-N -1 0 414.465 3.042 50 0 HGAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000023157117 559022154 /nfs/dbraw/zinc/02/21/54/559022154.db2.gz HPWZRYPYZLSORA-JKDFXYPNSA-N -1 0 418.519 3.021 50 0 HGAARM Cc1[n-]n2c(nc(CSc3nnnn3-c3ccccc3)cc2=O)c1-c1ccccc1 ZINC000100129040 559130189 /nfs/dbraw/zinc/13/01/89/559130189.db2.gz RYRQXWUGWYPJFJ-UHFFFAOYSA-N -1 0 415.482 3.266 50 0 HGAARM CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000101547450 559147270 /nfs/dbraw/zinc/14/72/70/559147270.db2.gz FWRZWEWMQDREPN-RBUKOAKNSA-N -1 0 422.547 3.469 50 0 HGAARM Cc1oc2cc(OCC(=O)NCCCC(=O)[O-])ccc2c(=O)c1Oc1ccccc1 ZINC000011865713 559263855 /nfs/dbraw/zinc/26/38/55/559263855.db2.gz HTIPTGBRBIAAMM-UHFFFAOYSA-N -1 0 411.410 3.254 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 ZINC000005185929 559290763 /nfs/dbraw/zinc/29/07/63/559290763.db2.gz PTQMJPWQYRDWHN-HZPDHXFCSA-N -1 0 403.895 3.449 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 ZINC000005185936 559290767 /nfs/dbraw/zinc/29/07/67/559290767.db2.gz PTQMJPWQYRDWHN-JKSUJKDBSA-N -1 0 403.895 3.449 50 0 HGAARM CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)cc1C(=O)[O-] ZINC000079103115 560541329 /nfs/dbraw/zinc/54/13/29/560541329.db2.gz YGIGRZUOLXJDMQ-UHFFFAOYSA-N -1 0 417.443 3.408 50 0 HGAARM COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002115895 560584453 /nfs/dbraw/zinc/58/44/53/560584453.db2.gz FTPJFRAFKJQZFJ-AQTBWJFISA-N -1 0 406.394 3.396 50 0 HGAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1Cl ZINC000005602664 560629282 /nfs/dbraw/zinc/62/92/82/560629282.db2.gz AEKGWBJDKIBVQT-UHFFFAOYSA-N -1 0 409.316 3.058 50 0 HGAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2C1 ZINC000008977157 560640487 /nfs/dbraw/zinc/64/04/87/560640487.db2.gz QUUGTLAWXGXZDO-UHFFFAOYSA-N -1 0 400.431 3.418 50 0 HGAARM CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000017264382 560706501 /nfs/dbraw/zinc/70/65/01/560706501.db2.gz SIFHZYJZURFFSS-JCZXDDDQSA-N -1 0 424.497 3.470 50 0 HGAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017307529 560707715 /nfs/dbraw/zinc/70/77/15/560707715.db2.gz LVCBFHAITIZIKM-IIYDPXPESA-N -1 0 402.520 3.402 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000000857805 560725995 /nfs/dbraw/zinc/72/59/95/560725995.db2.gz RWKICTQOOFHAJV-UHFFFAOYSA-N -1 0 402.266 3.276 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018168702 560780834 /nfs/dbraw/zinc/78/08/34/560780834.db2.gz LYBPKKPDRHMTSV-IYBDPMFKSA-N -1 0 412.515 3.353 50 0 HGAARM Cc1cc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br ZINC000101260631 560789989 /nfs/dbraw/zinc/78/99/89/560789989.db2.gz ILDGNJMSYRLJCN-GJZGRUSLSA-N -1 0 403.211 3.394 50 0 HGAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)n1 ZINC000101262288 560789993 /nfs/dbraw/zinc/78/99/93/560789993.db2.gz JQTMNOFDAHXYPY-DLBZAZTESA-N -1 0 422.832 3.192 50 0 HGAARM COc1ccc(-n2c(=O)c(C(=O)NCc3ccccc3)c([O-])c3cccnc32)cc1 ZINC000101723304 560799203 /nfs/dbraw/zinc/79/92/03/560799203.db2.gz YPIFZBJGJZMNFV-UHFFFAOYSA-N -1 0 401.422 3.030 50 0 HGAARM COc1cc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc(OC)c1 ZINC000101723534 560799361 /nfs/dbraw/zinc/79/93/61/560799361.db2.gz 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CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(CCNC(C)=O)ccc1OC ZINC000095453947 568615930 /nfs/dbraw/zinc/61/59/30/568615930.db2.gz DUIZOAKEQXUMNJ-UHFFFAOYSA-N -1 0 404.532 3.299 50 0 HGAARM COc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000095532106 568635295 /nfs/dbraw/zinc/63/52/95/568635295.db2.gz YKJAIANSYDZGEO-FQEVSTJZSA-N -1 0 412.442 3.255 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CC)cc3)[nH]n2)cc1 ZINC000020849115 568644716 /nfs/dbraw/zinc/64/47/16/568644716.db2.gz PIXJKNCGWSPIBH-UHFFFAOYSA-N -1 0 414.487 3.424 50 0 HGAARM CCOCCN(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C ZINC000225738837 568669828 /nfs/dbraw/zinc/66/98/28/568669828.db2.gz JMFCNIXOEDROEL-UHFFFAOYSA-N -1 0 409.483 3.435 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000021155802 568673587 /nfs/dbraw/zinc/67/35/87/568673587.db2.gz IBUNSHUMVHGVEY-UHFFFAOYSA-N -1 0 419.547 3.323 50 0 HGAARM COC(=O)C[C@@H](c1c([O-])nc2ccc(Cl)cn2c1=O)C1=Cc2ccccc2OC1 ZINC000096115087 568694576 /nfs/dbraw/zinc/69/45/76/568694576.db2.gz QEMJJXOSXGNHAS-OAHLLOKOSA-N -1 0 412.829 3.176 50 0 biogenic HGAARM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1Br ZINC000058357549 568699507 /nfs/dbraw/zinc/69/95/07/568699507.db2.gz YEYWZKSQRGMOMP-UHFFFAOYSA-N -1 0 404.213 3.096 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000000849905 568711117 /nfs/dbraw/zinc/71/11/17/568711117.db2.gz KFEXLDHFIBTCOI-IYZJKTGWSA-N -1 0 413.404 3.461 50 0 HGAARM Cc1cc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000096319789 568728241 /nfs/dbraw/zinc/72/82/41/568728241.db2.gz RSCSQECSIOPVKF-SFTDATJTSA-N -1 0 419.485 3.161 50 0 HGAARM Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021660832 568735735 /nfs/dbraw/zinc/73/57/35/568735735.db2.gz MCUIYYURILFALA-OAHLLOKOSA-N -1 0 401.426 3.240 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(F)c2)cc1 ZINC000096361173 568739178 /nfs/dbraw/zinc/73/91/78/568739178.db2.gz 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NHKULLWFRNCLGP-PBHICJAKSA-N -1 0 403.548 3.420 50 0 HGAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(SC)cc2)c(C(=O)OC)c1C ZINC000012507844 568839936 /nfs/dbraw/zinc/83/99/36/568839936.db2.gz WNMXVIZBAZJYOU-UHFFFAOYSA-N -1 0 415.514 3.152 50 0 HGAARM COC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012521178 568841716 /nfs/dbraw/zinc/84/17/16/568841716.db2.gz FFHWILADEIBDTJ-GFCCVEGCSA-N -1 0 416.421 3.271 50 0 HGAARM COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012532546 568844608 /nfs/dbraw/zinc/84/46/08/568844608.db2.gz BWPKPDFMVNVQLG-UHFFFAOYSA-N -1 0 417.314 3.099 50 0 HGAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003050896 568850844 /nfs/dbraw/zinc/85/08/44/568850844.db2.gz DVKJCOIVOBGJKD-AWEZNQCLSA-N -1 0 407.797 3.333 50 0 HGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cccc(F)c4N4CCCC[C@H]43)C2=O)cc1 ZINC000230156776 568853077 /nfs/dbraw/zinc/85/30/77/568853077.db2.gz JYLLIHUHWDLDPD-MBSDFSHPSA-N -1 0 423.444 3.019 50 0 HGAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Br ZINC000012585137 568866184 /nfs/dbraw/zinc/86/61/84/568866184.db2.gz RBSFGELMNZASNP-UHFFFAOYSA-N -1 0 420.292 3.238 50 0 HGAARM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1C ZINC000012605561 568871046 /nfs/dbraw/zinc/87/10/46/568871046.db2.gz OALVZSXBCZIPRF-UHFFFAOYSA-N -1 0 409.316 3.011 50 0 HGAARM COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000058004326 568874477 /nfs/dbraw/zinc/87/44/77/568874477.db2.gz KXRFDGRSQKWXAU-UHFFFAOYSA-N -1 0 414.277 3.354 50 0 HGAARM O=C([O-])[C@@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@H]12 ZINC000004143967 568916127 /nfs/dbraw/zinc/91/61/27/568916127.db2.gz MMSQLYKMBQRQFM-OFQRWUPVSA-N -1 0 411.460 3.125 50 0 HGAARM CC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000001407370 568928430 /nfs/dbraw/zinc/92/84/30/568928430.db2.gz QDIOXKBZRSGMMW-LFIBNONCSA-N -1 0 421.350 3.491 50 0 HGAARM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000031720004 568929694 /nfs/dbraw/zinc/92/96/94/568929694.db2.gz OBPFSMMQZBTUCK-UHFFFAOYSA-N -1 0 403.279 3.268 50 0 HGAARM Cc1sc2ncnc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c2c1C ZINC000004278819 568958319 /nfs/dbraw/zinc/95/83/19/568958319.db2.gz XZKHYMXWJYKUIT-AWEZNQCLSA-N -1 0 401.513 3.212 50 0 HGAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)NCc1ccccc1Cl ZINC000015731523 568982169 /nfs/dbraw/zinc/98/21/69/568982169.db2.gz ZCLICPSAVHSMJD-UHFFFAOYSA-N -1 0 416.886 3.377 50 0 HGAARM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000015781367 569002551 /nfs/dbraw/zinc/00/25/51/569002551.db2.gz PLGGYCCUQMZGLQ-UHFFFAOYSA-N -1 0 412.508 3.119 50 0 HGAARM COc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c(OC)c1 ZINC000015826841 569011568 /nfs/dbraw/zinc/01/15/68/569011568.db2.gz BBOLOSMAVAYQCH-CYBMUJFWSA-N -1 0 417.487 3.081 50 0 HGAARM O=C(NCc1nc2ccccc2[nH]1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006135169 569014205 /nfs/dbraw/zinc/01/42/05/569014205.db2.gz WDRGYIYKVLYAFN-UHFFFAOYSA-N -1 0 424.457 3.433 50 0 HGAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)s2)on1 ZINC000015864625 569016643 /nfs/dbraw/zinc/01/66/43/569016643.db2.gz VARSQKMVGGDRMZ-UHFFFAOYSA-N -1 0 406.441 3.193 50 0 HGAARM O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000016024836 569026287 /nfs/dbraw/zinc/02/62/87/569026287.db2.gz VEFLCJUWJACKLF-UHFFFAOYSA-N -1 0 402.863 3.112 50 0 HGAARM CCn1cc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000006490179 569059683 /nfs/dbraw/zinc/05/96/83/569059683.db2.gz WWVJEBKTKXRNGN-JOCCRWCTSA-N -1 0 416.522 3.041 50 0 HGAARM COc1ccccc1N1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000054147567 569059885 /nfs/dbraw/zinc/05/98/85/569059885.db2.gz QBKBEGYVFWEXFP-UHFFFAOYSA-N -1 0 400.862 3.483 50 0 HGAARM COc1ccc(OC)c(NC(=O)[C@@]2(CC(=O)[O-])CC(/C=C/c3ccccc3)=NO2)c1 ZINC000006660722 569084861 /nfs/dbraw/zinc/08/48/61/569084861.db2.gz KYYLPCKJQJSKIM-UVIRAJKCSA-N -1 0 410.426 3.346 50 0 HGAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036066093 569085746 /nfs/dbraw/zinc/08/57/46/569085746.db2.gz LVCBFHAITIZIKM-PBFPGSCMSA-N -1 0 402.520 3.402 50 0 HGAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)C1 ZINC000036066080 569085760 /nfs/dbraw/zinc/08/57/60/569085760.db2.gz VCNFHAROFXRDBR-CJNGLKHVSA-N -1 0 418.494 3.308 50 0 HGAARM COC(=O)c1ccc(CSc2nnc(-c3ccccc3NC(C)=O)c(=O)[n-]2)cc1 ZINC000064774683 569093288 /nfs/dbraw/zinc/09/32/88/569093288.db2.gz SOWPYKVZUQDLIX-UHFFFAOYSA-N -1 0 410.455 3.282 50 0 HGAARM CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1 ZINC000064774704 569093371 /nfs/dbraw/zinc/09/33/71/569093371.db2.gz KGMCOFXNASPWDO-UHFFFAOYSA-N -1 0 423.498 3.496 50 0 HGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)n(C)c1C ZINC000064922290 569122235 /nfs/dbraw/zinc/12/22/35/569122235.db2.gz FHZXRLKFDQWQKW-UHFFFAOYSA-N -1 0 405.520 3.159 50 0 HGAARM CCN1CC[NH+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1 ZINC000036360537 569151884 /nfs/dbraw/zinc/15/18/84/569151884.db2.gz VQTACHHYRQJNRT-QFIPXVFZSA-N -1 0 421.497 3.151 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nc(CC)no2)cc1 ZINC000065194564 569192795 /nfs/dbraw/zinc/19/27/95/569192795.db2.gz HGVUJUWJWSVXIQ-UHFFFAOYSA-N -1 0 404.492 3.454 50 0 HGAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000036615494 569206970 /nfs/dbraw/zinc/20/69/70/569206970.db2.gz UDUHRJRRNJGKGP-UHFFFAOYSA-N -1 0 407.249 3.257 50 0 HGAARM COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000007551174 569249132 /nfs/dbraw/zinc/24/91/32/569249132.db2.gz AHBLCHWTDXUFSZ-HNNXBMFYSA-N -1 0 401.246 3.372 50 0 HGAARM COC(=O)c1c2c(sc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)CCCC2 ZINC000001049606 569276977 /nfs/dbraw/zinc/27/69/77/569276977.db2.gz KXQLNTMMAIYCNU-UHFFFAOYSA-N -1 0 408.501 3.232 50 0 HGAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002104045 569281979 /nfs/dbraw/zinc/28/19/79/569281979.db2.gz YXQDULPBLCWXOM-INIZCTEOSA-N -1 0 417.483 3.329 50 0 biogenic HGAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002106528 569283125 /nfs/dbraw/zinc/28/31/25/569283125.db2.gz WUXNPQVTAAWSGM-LIRRHRJNSA-N -1 0 403.475 3.437 50 0 biogenic HGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)c(C)c2oc1=O ZINC000002156128 569290406 /nfs/dbraw/zinc/29/04/06/569290406.db2.gz PXQIAAFAJDPCNT-BEFAXECRSA-N -1 0 409.438 3.428 50 0 biogenic HGAARM COc1cc(NC(=O)Nc2ccc3sc([N-]S(C)(=O)=O)nc3c2)cc(OC)c1 ZINC000013347416 569410835 /nfs/dbraw/zinc/41/08/35/569410835.db2.gz JMKJGPTVHVDLMH-UHFFFAOYSA-N -1 0 422.488 3.329 50 0 HGAARM Cc1c(C(=O)[O-])sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000013417153 569413885 /nfs/dbraw/zinc/41/38/85/569413885.db2.gz VYDFMTWWPQLKGM-UHFFFAOYSA-N -1 0 411.361 3.122 50 0 HGAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cnc(Cl)n1C)c1ccccc1 ZINC000079106659 569427659 /nfs/dbraw/zinc/42/76/59/569427659.db2.gz FARUQAPCXFILQK-ZDUSSCGKSA-N -1 0 418.906 3.365 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(CO)cc2)c1 ZINC000008710353 571105109 /nfs/dbraw/zinc/10/51/09/571105109.db2.gz QHWFZRWLLPLLGK-UHFFFAOYSA-N -1 0 412.467 3.241 50 0 HGAARM CCn1nc([N-]S(=O)(=O)c2cccc3nonc32)c2cc3ccc(C)cc3nc21 ZINC000009013620 571211265 /nfs/dbraw/zinc/21/12/65/571211265.db2.gz BNZUMWFGFRJTMR-UHFFFAOYSA-N -1 0 408.443 3.250 50 0 HGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1Cl ZINC000009151537 571230224 /nfs/dbraw/zinc/23/02/24/571230224.db2.gz SAIFYWCCXLPRQC-NSHDSACASA-N -1 0 424.906 3.456 50 0 HGAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccccc3)c2)cc1OC ZINC000009151966 571230685 /nfs/dbraw/zinc/23/06/85/571230685.db2.gz DQOURMWZSLLPGD-UHFFFAOYSA-N -1 0 413.455 3.152 50 0 HGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165689 571232537 /nfs/dbraw/zinc/23/25/37/571232537.db2.gz JSOYUPOVFYUYLZ-UHFFFAOYSA-N -1 0 418.515 3.494 50 0 HGAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 ZINC000009170272 571233613 /nfs/dbraw/zinc/23/36/13/571233613.db2.gz VORFOOVHHNRHDH-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM O=C(Nc1ccc(I)cc1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000009329830 571248619 /nfs/dbraw/zinc/24/86/19/571248619.db2.gz YDGHRLWMGQKGKO-UHFFFAOYSA-N -1 0 406.179 3.091 50 0 HGAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000009646448 571276441 /nfs/dbraw/zinc/27/64/41/571276441.db2.gz LBDDETRNVBMPTG-UHFFFAOYSA-N -1 0 423.443 3.399 50 0 HGAARM CS(=O)(=O)Nc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000009704485 571280682 /nfs/dbraw/zinc/28/06/82/571280682.db2.gz HXGVOYMQCBTWIH-UHFFFAOYSA-N -1 0 412.386 3.017 50 0 HGAARM C[C@@H]1CCCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)C1 ZINC000009828490 571286760 /nfs/dbraw/zinc/28/67/60/571286760.db2.gz NPIJXOUTMKYKAO-GFCCVEGCSA-N -1 0 413.952 3.398 50 0 HGAARM COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(=O)[O-])c3)n2)cc1OC ZINC000033000113 571315696 /nfs/dbraw/zinc/31/56/96/571315696.db2.gz PIOUAZVRHRCJAQ-UHFFFAOYSA-N -1 0 411.414 3.413 50 0 HGAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(C)c2cc1Cl ZINC000015955687 939031354 /nfs/dbraw/zinc/03/13/54/939031354.db2.gz HZRJBYGCMKVULA-LJQANCHMSA-N -1 0 415.829 3.248 50 0 HGAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 ZINC000004956984 132296930 /nfs/dbraw/zinc/29/69/30/132296930.db2.gz ZFTZZSJQPNXAFX-HOTGVXAUSA-N -1 0 412.515 3.353 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)c(OC)c1 ZINC000005099579 132301182 /nfs/dbraw/zinc/30/11/82/132301182.db2.gz IYCOGRBRAOQZIG-UHFFFAOYSA-N -1 0 416.499 3.194 50 0 HGAARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=C1C[C@@H](c2c[nH]c3ccccc32)NN1 ZINC000008770508 132333260 /nfs/dbraw/zinc/33/32/60/132333260.db2.gz BJHHAILVZSQEOI-QCPHZMBFSA-N -1 0 405.389 3.223 50 0 HGAARM COC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(F)cc1F ZINC000012851913 132367662 /nfs/dbraw/zinc/36/76/62/132367662.db2.gz QJCPEJDNSSUEKC-QGZVFWFLSA-N -1 0 402.353 3.381 50 0 HGAARM COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000022609877 132475067 /nfs/dbraw/zinc/47/50/67/132475067.db2.gz FONXXRSVQTYLHR-IBGZPJMESA-N -1 0 421.526 3.417 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[C@H](C)CC)C(=O)[O-] ZINC000025076485 132485645 /nfs/dbraw/zinc/48/56/45/132485645.db2.gz CSSJVRRJMBZJLL-OSLDLMBLSA-N -1 0 418.494 3.015 50 0 HGAARM COc1cc(OC)c(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1Cl ZINC000044842079 522801179 /nfs/dbraw/zinc/80/11/79/522801179.db2.gz IXSZIOUOXPSGGB-UHFFFAOYSA-N -1 0 411.892 3.386 50 0 HGAARM COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C(=O)[O-] ZINC000053994370 525021146 /nfs/dbraw/zinc/02/11/46/525021146.db2.gz JTENAMHMNNXZMJ-UHFFFAOYSA-N -1 0 416.455 3.103 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)no1 ZINC000000672591 557050027 /nfs/dbraw/zinc/05/00/27/557050027.db2.gz HIEBGZAHKDLFOE-UHFFFAOYSA-N -1 0 401.444 3.110 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)no1 ZINC000000677117 557053535 /nfs/dbraw/zinc/05/35/35/557053535.db2.gz LJVIWFLORQMICB-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)c(F)c2)CC1 ZINC000022626349 557092858 /nfs/dbraw/zinc/09/28/58/557092858.db2.gz JMODRUYKZNTBLX-HNNXBMFYSA-N -1 0 422.457 3.057 50 0 HGAARM COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(C(=O)[O-])cc4)cc3C2=O)cc1 ZINC000001213946 557244920 /nfs/dbraw/zinc/24/49/20/557244920.db2.gz VCMVZPMOODELKH-UHFFFAOYSA-N -1 0 416.389 3.446 50 0 HGAARM COc1cc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2F)cc(OC)c1OC ZINC000002647537 557360641 /nfs/dbraw/zinc/36/06/41/557360641.db2.gz NAKTVGRCBGRKHC-UHFFFAOYSA-N -1 0 419.434 3.276 50 0 HGAARM Cc1ccc(NC(=O)COc2ccc(I)cc2)c(C(=O)[O-])c1 ZINC000002868544 557413895 /nfs/dbraw/zinc/41/38/95/557413895.db2.gz RMHBJRZXTPOZAK-UHFFFAOYSA-N -1 0 411.195 3.315 50 0 HGAARM COc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1\NC(=O)[N-]C1=O ZINC000002882664 557420204 /nfs/dbraw/zinc/42/02/04/557420204.db2.gz MEGYGKUNKNKPJG-QINSGFPZSA-N -1 0 402.834 3.377 50 0 HGAARM CS(=O)(=O)[N-]c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)s1 ZINC000002957132 557430895 /nfs/dbraw/zinc/43/08/95/557430895.db2.gz AUYFWCLRHWMSGH-UHFFFAOYSA-N -1 0 420.541 3.367 50 0 HGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000002983160 557436231 /nfs/dbraw/zinc/43/62/31/557436231.db2.gz JMYSLURJHBHAHM-CSMMYAOASA-N -1 0 414.461 3.270 50 0 biogenic HGAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)cc1 ZINC000034763319 557460636 /nfs/dbraw/zinc/46/06/36/557460636.db2.gz LFDXTARFNZSLGH-UHFFFAOYSA-N -1 0 407.474 3.067 50 0 HGAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccc(OC)cc1 ZINC000004690873 557581568 /nfs/dbraw/zinc/58/15/68/557581568.db2.gz MNTSTIBWMJWRSG-UHFFFAOYSA-N -1 0 412.471 3.403 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)n1 ZINC000004750328 557592649 /nfs/dbraw/zinc/59/26/49/557592649.db2.gz SYRKPNLDLLZCAD-OAHLLOKOSA-N -1 0 415.302 3.108 50 0 HGAARM CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c1 ZINC000004756604 557594152 /nfs/dbraw/zinc/59/41/52/557594152.db2.gz JMWUNJZJVVNFQR-UHFFFAOYSA-N -1 0 412.471 3.237 50 0 HGAARM COc1cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])ccc1OC(C)=O ZINC000004824205 557603254 /nfs/dbraw/zinc/60/32/54/557603254.db2.gz AJDMWYVQLJPOLF-UHFFFAOYSA-N -1 0 408.204 3.334 50 0 HGAARM O=C([O-])CCC(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000006698400 557715870 /nfs/dbraw/zinc/71/58/70/557715870.db2.gz TVAILPZTSGYZPB-UHFFFAOYSA-N -1 0 415.298 3.357 50 0 HGAARM COc1cccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)c1OC ZINC000008952528 557816176 /nfs/dbraw/zinc/81/61/76/557816176.db2.gz ILHBMHYHVSHZRJ-CQSZACIVSA-N -1 0 421.379 3.201 50 0 HGAARM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2O1 ZINC000008973610 557817065 /nfs/dbraw/zinc/81/70/65/557817065.db2.gz FQWUSWDBTHUJEA-GOSISDBHSA-N -1 0 424.862 3.483 50 0 HGAARM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854389 557840841 /nfs/dbraw/zinc/84/08/41/557840841.db2.gz JXXKXCCXVHPUAS-IIYDPXPESA-N -1 0 402.520 3.266 50 0 HGAARM O=C([O-])CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000012375200 558391608 /nfs/dbraw/zinc/39/16/08/558391608.db2.gz NIKXHBITAFLEKS-UHFFFAOYSA-N -1 0 410.536 3.445 50 0 HGAARM COC(=O)c1c([N-][C@@]2(C(F)(F)F)N=C3SCCN3C2=O)sc2c1CCCC2 ZINC000012417738 558402597 /nfs/dbraw/zinc/40/25/97/558402597.db2.gz ZRFZGVOZDGBFLP-OAHLLOKOSA-N -1 0 419.450 3.029 50 0 HGAARM COCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C)C1=O ZINC000004345228 558427239 /nfs/dbraw/zinc/42/72/39/558427239.db2.gz NKUXRMFGLBWIBT-UNOMPAQXSA-N -1 0 418.453 3.126 50 0 HGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O ZINC000004345262 558427243 /nfs/dbraw/zinc/42/72/43/558427243.db2.gz WNYUOIYCYCCAFV-ZDLGFXPLSA-N -1 0 410.380 3.257 50 0 HGAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004356005 558443387 /nfs/dbraw/zinc/44/33/87/558443387.db2.gz JFGCZIZBXOEYEE-UNOMPAQXSA-N -1 0 406.417 3.372 50 0 HGAARM CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000004369448 558462307 /nfs/dbraw/zinc/46/23/07/558462307.db2.gz AKBCXBCWHGVISS-UHFFFAOYSA-N -1 0 410.455 3.152 50 0 HGAARM CN(CC(=O)Nc1ccccc1C(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000013261643 558528221 /nfs/dbraw/zinc/52/82/21/558528221.db2.gz XIICZCGAQWONPH-UHFFFAOYSA-N -1 0 405.454 3.456 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2sccc21 ZINC000013416611 558532096 /nfs/dbraw/zinc/53/20/96/558532096.db2.gz HYGHBLNECXVOTN-HNNXBMFYSA-N -1 0 412.496 3.077 50 0 HGAARM O=C([O-])c1ccc(NC(=O)CSc2nnnn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000013729692 558585887 /nfs/dbraw/zinc/58/58/87/558585887.db2.gz FYLVOASFMBPYRI-UHFFFAOYSA-N -1 0 423.376 3.110 50 0 HGAARM COc1ccc(CC2C(=O)N=C(SCC(=O)Nc3ccccc3C)N=C2[O-])cc1 ZINC000013957223 558607772 /nfs/dbraw/zinc/60/77/72/558607772.db2.gz HDGHMNPDJDBKGB-UHFFFAOYSA-N -1 0 411.483 3.114 50 0 HGAARM O=C(c1cnc([N-]c2nc3ccccc3o2)nc1)N1CCN(c2ccccc2)CC1 ZINC000013957735 558608024 /nfs/dbraw/zinc/60/80/24/558608024.db2.gz ONLJTCGZWCLAGU-UHFFFAOYSA-N -1 0 400.442 3.324 50 0 HGAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000016154490 558773868 /nfs/dbraw/zinc/77/38/68/558773868.db2.gz XBDOPGUMHYYLAV-UHFFFAOYSA-N -1 0 419.377 3.310 50 0 HGAARM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nnn[n-]1 ZINC000016741966 558803881 /nfs/dbraw/zinc/80/38/81/558803881.db2.gz NBOPMFGEZRPRAV-AWEZNQCLSA-N -1 0 414.208 3.363 50 0 HGAARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=C1C[C@H](c2c[nH]c3ccccc32)NN1 ZINC000017029375 558812407 /nfs/dbraw/zinc/81/24/07/558812407.db2.gz KTEFISUVHHAOMX-JLMFCZBYSA-N -1 0 401.426 3.080 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000017082805 558815079 /nfs/dbraw/zinc/81/50/79/558815079.db2.gz GVEFGKUEHIHUSF-CABCVRRESA-N -1 0 404.264 3.299 50 0 HGAARM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000017083244 558815741 /nfs/dbraw/zinc/81/57/41/558815741.db2.gz BVPYLFVLTHYVQT-CJNGLKHVSA-N -1 0 405.549 3.143 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)c(OC)c1 ZINC000017087798 558816556 /nfs/dbraw/zinc/81/65/56/558816556.db2.gz KOUXBUQPBGTDJH-UHFFFAOYSA-N -1 0 407.879 3.403 50 0 HGAARM C[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2cccnc2)C1 ZINC000017090347 558818956 /nfs/dbraw/zinc/81/89/56/558818956.db2.gz AQYQVJCXMYQZSY-ZDUSSCGKSA-N -1 0 415.515 3.391 50 0 HGAARM CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1Br ZINC000000666481 558829934 /nfs/dbraw/zinc/82/99/34/558829934.db2.gz FTKSAPYNYFBPPM-NTEUORMPSA-N -1 0 404.239 3.116 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc4nccnc43)C2)cc1 ZINC000072314719 558848646 /nfs/dbraw/zinc/84/86/46/558848646.db2.gz JQRUIPJZFFHTIS-IBGZPJMESA-N -1 0 404.426 3.181 50 0 HGAARM CCCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)cc1C ZINC000055254550 558877616 /nfs/dbraw/zinc/87/76/16/558877616.db2.gz XUVZZKVQYLSIOW-UHFFFAOYSA-N -1 0 408.458 3.432 50 0 HGAARM O=C([O-])CC[C@H](CN1CCOCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000722969773 558891275 /nfs/dbraw/zinc/89/12/75/558891275.db2.gz VJXJEVATZYGVQW-QGZVFWFLSA-N -1 0 424.497 3.091 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2nc(-c3cccs3)no2)c1 ZINC000033220825 558912958 /nfs/dbraw/zinc/91/29/58/558912958.db2.gz QZFSZMJLPBPJKF-UHFFFAOYSA-N -1 0 421.500 3.259 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1)C(F)(F)F ZINC000004722451 558925762 /nfs/dbraw/zinc/92/57/62/558925762.db2.gz GHVXUDHRVLIKTJ-UHFFFAOYSA-N -1 0 410.377 3.174 50 0 HGAARM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2sc(C(C)(C)C)nc2C)C1=O ZINC000058429288 558926383 /nfs/dbraw/zinc/92/63/83/558926383.db2.gz SFQRLDXGYQHXSL-HXUWFJFHSA-N -1 0 400.504 3.251 50 0 HGAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031154 558985193 /nfs/dbraw/zinc/98/51/93/558985193.db2.gz RUNWZNOXGDDOKZ-LJQANCHMSA-N -1 0 405.527 3.404 50 0 HGAARM Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000023075010 558999007 /nfs/dbraw/zinc/99/90/07/558999007.db2.gz LOIHWJHAARMANL-UHFFFAOYSA-N -1 0 424.482 3.441 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1Cl ZINC000023126511 559014310 /nfs/dbraw/zinc/01/43/10/559014310.db2.gz HSZGVDYKASHYPC-IAGOWNOFSA-N -1 0 422.832 3.192 50 0 HGAARM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)cc(OC)c1OC ZINC000023157944 559022484 /nfs/dbraw/zinc/02/24/84/559022484.db2.gz GTABXKFJRZSEAR-MRXNPFEDSA-N -1 0 418.519 3.406 50 0 HGAARM O=C(CCCn1c(=S)[n-]c2c3ccccc3sc2c1=O)NC[C@@H]1CCCO1 ZINC000004793185 559065818 /nfs/dbraw/zinc/06/58/18/559065818.db2.gz ZHZOSYMGWYNMKZ-LBPRGKRZSA-N -1 0 403.529 3.349 50 0 HGAARM CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000102575479 559151248 /nfs/dbraw/zinc/15/12/48/559151248.db2.gz QLFFGWSTOJENHR-RBUKOAKNSA-N -1 0 416.499 3.341 50 0 HGAARM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000014168384 559154674 /nfs/dbraw/zinc/15/46/74/559154674.db2.gz NPUKAUZNRFFBBW-UHFFFAOYSA-N -1 0 400.446 3.104 50 0 HGAARM Cc1oc2cc(OCC(=O)N[C@H](C)C(=O)[O-])ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000011866041 559264022 /nfs/dbraw/zinc/26/40/22/559264022.db2.gz GFFITGAWFLFGDB-LLVKDONJSA-N -1 0 415.829 3.390 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)s1 ZINC000001508313 560583360 /nfs/dbraw/zinc/58/33/60/560583360.db2.gz ZPTRQCZDHSURGJ-UHFFFAOYSA-N -1 0 402.501 3.462 50 0 HGAARM O=C([O-])c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000005501519 560601176 /nfs/dbraw/zinc/60/11/76/560601176.db2.gz WDMCEWNAISSDKL-NJDAHSKKSA-N -1 0 414.417 3.436 50 0 HGAARM CC(C)[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000005522706 560605279 /nfs/dbraw/zinc/60/52/79/560605279.db2.gz WZCCTOWBUMZTNX-XUDLPTGHSA-N -1 0 400.862 3.336 50 0 biogenic HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000011693235 560773574 /nfs/dbraw/zinc/77/35/74/560773574.db2.gz ZLLADAQQANGQAT-UHFFFAOYSA-N -1 0 421.475 3.022 50 0 HGAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101170574 560787935 /nfs/dbraw/zinc/78/79/35/560787935.db2.gz PRWPHYKMELVVDO-NHCUHLMSSA-N -1 0 419.485 3.359 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1 ZINC000101722376 560798837 /nfs/dbraw/zinc/79/88/37/560798837.db2.gz DMAIGCFGGODZCO-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM O=C(NCCc1cccs1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722565 560798923 /nfs/dbraw/zinc/79/89/23/560798923.db2.gz LDOGARDLAFLLDF-UHFFFAOYSA-N -1 0 409.442 3.264 50 0 HGAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)C1CCCCC1 ZINC000101803604 560802285 /nfs/dbraw/zinc/80/22/85/560802285.db2.gz XWTZWVGXDKMOID-UHFFFAOYSA-N -1 0 409.490 3.238 50 0 HGAARM CCN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3)[n-]c(=S)n(CC)c4=O)ccc21 ZINC000102207412 560808314 /nfs/dbraw/zinc/80/83/14/560808314.db2.gz UTDNFLKXDNLUKF-UHFFFAOYSA-N -1 0 422.510 3.257 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2OC)cc1 ZINC000102810760 560829362 /nfs/dbraw/zinc/82/93/62/560829362.db2.gz LFQKZWFRJNCHRS-SFHVURJKSA-N -1 0 420.425 3.136 50 0 HGAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(F)c3)cnn21 ZINC000102810808 560829367 /nfs/dbraw/zinc/82/93/67/560829367.db2.gz MMXRPTMZHRTURM-QGZVFWFLSA-N -1 0 408.389 3.267 50 0 HGAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3C)cnn21 ZINC000102820862 560829547 /nfs/dbraw/zinc/82/95/47/560829547.db2.gz IQRPARCHXUJWPS-GOSISDBHSA-N -1 0 404.426 3.436 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)cc1 ZINC000101272250 560851460 /nfs/dbraw/zinc/85/14/60/560851460.db2.gz VZACLBIXFOITGF-IRXDYDNUSA-N -1 0 422.832 3.192 50 0 HGAARM CCc1ccc(-n2nc3c4cc(C(=O)NC[C@@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282355 560851703 /nfs/dbraw/zinc/85/17/03/560851703.db2.gz FLFHXVRSRFYKFR-SFHVURJKSA-N -1 0 416.481 3.290 50 0 HGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(O)c2)CC(=O)N3)c(OC)c1 ZINC000049543345 568451094 /nfs/dbraw/zinc/45/10/94/568451094.db2.gz FAQGMGXIIKKCNR-HNNXBMFYSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM Cn1cc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)c(-c2ccccc2Cl)n1 ZINC000095425569 568607981 /nfs/dbraw/zinc/60/79/81/568607981.db2.gz BGPFDGIEYDUTCJ-UHFFFAOYSA-N -1 0 413.861 3.176 50 0 HGAARM C[S@@](=O)Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000095463866 568622182 /nfs/dbraw/zinc/62/21/82/568622182.db2.gz MITTVKOSUVYJSK-LMKMVOKYSA-N -1 0 424.316 3.273 50 0 HGAARM CCO[C@H]1C[C@](NC(=O)Nc2ccc(OC)c(OC(F)F)c2)(C(=O)[O-])C1(C)C ZINC000225487394 568642047 /nfs/dbraw/zinc/64/20/47/568642047.db2.gz GCJUEPRTSRRBOI-UGSOOPFHSA-N -1 0 402.394 3.077 50 0 HGAARM COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1OC ZINC000225486825 568642098 /nfs/dbraw/zinc/64/20/98/568642098.db2.gz JJMFAQSVLSPQRT-INIZCTEOSA-N -1 0 401.394 3.142 50 0 HGAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)c1N ZINC000225554077 568650561 /nfs/dbraw/zinc/65/05/61/568650561.db2.gz LCEJMTYVGVTTLW-UHFFFAOYSA-N -1 0 409.514 3.350 50 0 HGAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)Cc1ccccc1 ZINC000225658053 568660916 /nfs/dbraw/zinc/66/09/16/568660916.db2.gz WTZJIRCIQZMZGC-FQEVSTJZSA-N -1 0 413.543 3.229 50 0 HGAARM Cc1[nH]c2c(cccc2C(=O)[N-]S(=O)(=O)c2ccc(Br)nc2)c1C ZINC000225690294 568664597 /nfs/dbraw/zinc/66/45/97/568664597.db2.gz ADLBZYVOXYBCGL-UHFFFAOYSA-N -1 0 408.277 3.061 50 0 HGAARM O=C(NCCc1nc(C(F)(F)F)cs1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000095964484 568670652 /nfs/dbraw/zinc/67/06/52/568670652.db2.gz KQMPDOOIQNPGNX-UHFFFAOYSA-N -1 0 400.357 3.165 50 0 HGAARM O=C([O-])c1ccccc1NN=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000096580659 568698312 /nfs/dbraw/zinc/69/83/12/568698312.db2.gz QPKIZYTWJSSWCP-UHFFFAOYSA-N -1 0 400.394 3.148 50 0 HGAARM CCN(CC)C(=O)Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000000595364 568722230 /nfs/dbraw/zinc/72/22/30/568722230.db2.gz PNFMZAHWOASGJC-UHFFFAOYSA-N -1 0 401.941 3.317 50 0 in-vivo HGAARM CO[C@]1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)CC1 ZINC000240757084 568730643 /nfs/dbraw/zinc/73/06/43/568730643.db2.gz HWEJJSIOJOLVPG-LJQANCHMSA-N -1 0 424.544 3.286 50 0 HGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1C ZINC000000913141 568750279 /nfs/dbraw/zinc/75/02/79/568750279.db2.gz BNMLYTLOZZGADC-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCN(CC)CC2)cc1 ZINC000022578139 568770019 /nfs/dbraw/zinc/77/00/19/568770019.db2.gz PZPFXHXHUDXZHY-GOSISDBHSA-N -1 0 415.563 3.184 50 0 HGAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccc2c(c1)OCO2 ZINC000002925473 568817394 /nfs/dbraw/zinc/81/73/94/568817394.db2.gz DRJKQVBCCZPBQB-UHFFFAOYSA-N -1 0 417.512 3.336 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000005866981 568826797 /nfs/dbraw/zinc/82/67/97/568826797.db2.gz RZISIIZIUROPIJ-UHFFFAOYSA-N -1 0 412.508 3.110 50 0 HGAARM CCOCCCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2[n-]c1=S ZINC000002972223 568832157 /nfs/dbraw/zinc/83/21/57/568832157.db2.gz NHKULLWFRNCLGP-YOEHRIQHSA-N -1 0 403.548 3.420 50 0 HGAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCc1ccc(Cl)cc1 ZINC000002975337 568832299 /nfs/dbraw/zinc/83/22/99/568832299.db2.gz FQPBYMZVNQQBNN-UHFFFAOYSA-N -1 0 417.874 3.148 50 0 HGAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000003025625 568841276 /nfs/dbraw/zinc/84/12/76/568841276.db2.gz HWFQJBUUZLQYPC-CQSZACIVSA-N -1 0 402.241 3.083 50 0 HGAARM CN(C[C@H](CC(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000003627419 568864752 /nfs/dbraw/zinc/86/47/52/568864752.db2.gz ZAYJNNROIJHMNP-AWEZNQCLSA-N -1 0 412.305 3.328 50 0 HGAARM CCOC(=O)[C@@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)CC)C(F)(F)F ZINC000003671229 568867520 /nfs/dbraw/zinc/86/75/20/568867520.db2.gz YPZKJWAWJYZAGB-INIZCTEOSA-N -1 0 419.425 3.455 50 0 HGAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000003300407 568876358 /nfs/dbraw/zinc/87/63/58/568876358.db2.gz RDLYQXNTFSSAEN-UHFFFAOYSA-N -1 0 412.471 3.171 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003306564 568877627 /nfs/dbraw/zinc/87/76/27/568877627.db2.gz JAQGUAHJLAAAQG-UHFFFAOYSA-N -1 0 408.479 3.282 50 0 HGAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000003436039 568902794 /nfs/dbraw/zinc/90/27/94/568902794.db2.gz PZJGRNZJXRDITF-UHFFFAOYSA-N -1 0 400.250 3.377 50 0 HGAARM O=C([O-])[C@@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@@H]2c3ccccc3OC(=O)[C@H]12 ZINC000004143964 568916210 /nfs/dbraw/zinc/91/62/10/568916210.db2.gz MMSQLYKMBQRQFM-IJEWVQPXSA-N -1 0 411.460 3.125 50 0 HGAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@@H]2CCCO2)c3=O)cc1 ZINC000003631936 568921382 /nfs/dbraw/zinc/92/13/82/568921382.db2.gz MTEBXKXBBPJNPU-INIZCTEOSA-N -1 0 411.483 3.499 50 0 HGAARM CC(NCc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000001407472 568928424 /nfs/dbraw/zinc/92/84/24/568928424.db2.gz TZOORMRCVHOMRS-LFIBNONCSA-N -1 0 421.350 3.491 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000001415015 568933724 /nfs/dbraw/zinc/93/37/24/568933724.db2.gz ZOAYIUPXDGZDSU-UHFFFAOYSA-N -1 0 407.448 3.468 50 0 HGAARM Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004037430 568935765 /nfs/dbraw/zinc/93/57/65/568935765.db2.gz DSAGYHKERFGOOJ-QKKBWIMNSA-N -1 0 421.449 3.300 50 0 biogenic HGAARM CN1C(=O)N[C@H](c2ccc(F)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162521 568947502 /nfs/dbraw/zinc/94/75/02/568947502.db2.gz LWGIRDKQTGACFI-ZENOOKHLSA-N -1 0 402.369 3.333 50 0 HGAARM CN1C(=O)N[C@H](c2cccc(F)c2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162509 568947506 /nfs/dbraw/zinc/94/75/06/568947506.db2.gz RKDPVVPQUMMOQU-IOASZLSFSA-N -1 0 402.369 3.333 50 0 HGAARM Cc1nc(-c2ccccc2)sc1C(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000012777777 568955989 /nfs/dbraw/zinc/95/59/89/568955989.db2.gz MXFLLYVPBZSNNZ-NRFANRHFSA-N -1 0 406.467 3.231 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1 ZINC000038487266 568997228 /nfs/dbraw/zinc/99/72/28/568997228.db2.gz GNRGZWFXBXOTDN-IAGOWNOFSA-N -1 0 422.832 3.192 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 ZINC000015861974 569015705 /nfs/dbraw/zinc/01/57/05/569015705.db2.gz HFDDTLMCLAKMEP-UHFFFAOYSA-N -1 0 411.892 3.339 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000006359086 569045229 /nfs/dbraw/zinc/04/52/29/569045229.db2.gz YJFDFURMBSVLEB-VBKZILBWSA-N -1 0 409.438 3.373 50 0 HGAARM CN(C)c1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000006368662 569046046 /nfs/dbraw/zinc/04/60/46/569046046.db2.gz HHOKOONFHGYBID-UHFFFAOYSA-N -1 0 402.501 3.262 50 0 HGAARM CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000002097410 569060452 /nfs/dbraw/zinc/06/04/52/569060452.db2.gz DFGVBCRALAMJNR-SZNDQCEHSA-N -1 0 409.438 3.453 50 0 HGAARM COc1cccc(-c2nc(C)c(C(=O)[N-]S(=O)(=O)c3cc(F)c(C)cc3F)[nH]2)c1 ZINC000089570497 569070440 /nfs/dbraw/zinc/07/04/40/569070440.db2.gz MMIUHKWKWBYXQD-UHFFFAOYSA-N -1 0 421.425 3.099 50 0 HGAARM CN(C[C@H]1COCCO1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820364 569102529 /nfs/dbraw/zinc/10/25/29/569102529.db2.gz RSCFPURFIFWDEZ-INIZCTEOSA-N -1 0 404.850 3.142 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)n(C)c1C ZINC000064922148 569122227 /nfs/dbraw/zinc/12/22/27/569122227.db2.gz BBIYCTMOULCJMW-UHFFFAOYSA-N -1 0 411.911 3.032 50 0 HGAARM Cc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c1C ZINC000036353687 569147823 /nfs/dbraw/zinc/14/78/23/569147823.db2.gz SQYJSHXOWHJEKY-QFIPXVFZSA-N -1 0 421.497 3.441 50 0 HGAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098801 569176924 /nfs/dbraw/zinc/17/69/24/569176924.db2.gz OPZRILYUDBCWEV-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1 ZINC000065098875 569176943 /nfs/dbraw/zinc/17/69/43/569176943.db2.gz RWMQXWLPSPGBJS-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCC3)c2c1 ZINC000065115202 569179231 /nfs/dbraw/zinc/17/92/31/569179231.db2.gz MEWAREZWMSZLLN-UHFFFAOYSA-N -1 0 415.471 3.182 50 0 HGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cccc(Br)c2)s1 ZINC000065183819 569191106 /nfs/dbraw/zinc/19/11/06/569191106.db2.gz DGUYBDBRCLMSGT-UHFFFAOYSA-N -1 0 401.311 3.225 50 0 HGAARM COc1ccc2c(ccn2CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000036579948 569202914 /nfs/dbraw/zinc/20/29/14/569202914.db2.gz OXCSPHWGLNUPJC-HXUWFJFHSA-N -1 0 405.454 3.333 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)cc1Cl ZINC000065249871 569205915 /nfs/dbraw/zinc/20/59/15/569205915.db2.gz DIVAJIFXJMXUEG-UHFFFAOYSA-N -1 0 424.844 3.393 50 0 HGAARM O=C(NCc1ccco1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260916 569209621 /nfs/dbraw/zinc/20/96/21/569209621.db2.gz YZIYAAWBIDZUKJ-UHFFFAOYSA-N -1 0 423.860 3.204 50 0 HGAARM COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@H](C)C(=O)[O-])n2)cc1 ZINC000007498920 569242738 /nfs/dbraw/zinc/24/27/38/569242738.db2.gz ADSZBQJHJGFLEB-GFCCVEGCSA-N -1 0 410.434 3.261 50 0 HGAARM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)[nH]n2)cn1C ZINC000170609164 569244931 /nfs/dbraw/zinc/24/49/31/569244931.db2.gz UXTGZZWQTWDPLA-UHFFFAOYSA-N -1 0 423.498 3.071 50 0 HGAARM O=C(Cc1cc(F)ccc1Br)[N-]S(=O)(=O)c1ccccc1Cl ZINC000170609444 569245061 /nfs/dbraw/zinc/24/50/61/569245061.db2.gz XTKVBYZKMAJVOF-UHFFFAOYSA-N -1 0 406.660 3.289 50 0 HGAARM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000170614206 569247041 /nfs/dbraw/zinc/24/70/41/569247041.db2.gz GFVRHDJFHPVLHE-GOSISDBHSA-N -1 0 400.406 3.385 50 0 HGAARM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)ccc1Br ZINC000170623359 569249823 /nfs/dbraw/zinc/24/98/23/569249823.db2.gz ATSSDGXCVJJECY-UHFFFAOYSA-N -1 0 410.293 3.302 50 0 HGAARM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)sc1Br ZINC000089608804 569261156 /nfs/dbraw/zinc/26/11/56/569261156.db2.gz RLDSSUSEAJVNJP-UHFFFAOYSA-N -1 0 417.228 3.327 50 0 HGAARM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1-c1nc(=O)c(-c2ccc(F)cc2)n[n-]1 ZINC000089821235 569266540 /nfs/dbraw/zinc/26/65/40/569266540.db2.gz RUDIHTBCSAYPHG-HOTGVXAUSA-N -1 0 418.428 3.318 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(OC)c3)c2)cc1 ZINC000016954562 569268592 /nfs/dbraw/zinc/26/85/92/569268592.db2.gz YWISDWWVKMDQKF-UHFFFAOYSA-N -1 0 413.455 3.152 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccccc3)cs2)cc1 ZINC000017051044 569272522 /nfs/dbraw/zinc/27/25/22/569272522.db2.gz CVOUFACSMBNPOU-UHFFFAOYSA-N -1 0 401.513 3.111 50 0 HGAARM Cc1c2ccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000002145620 569289705 /nfs/dbraw/zinc/28/97/05/569289705.db2.gz BZAPQZMGZQLMTE-QFIPXVFZSA-N -1 0 423.465 3.296 50 0 biogenic HGAARM O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1NCC1CCCCC1 ZINC000002198578 569294741 /nfs/dbraw/zinc/29/47/41/569294741.db2.gz WEGHYUGNMORWSE-UHFFFAOYSA-N -1 0 416.927 3.051 50 0 HGAARM CCCCOc1ccc(S(=O)(=O)[N-]C(=O)NCc2ccc(OCC)cc2)cc1 ZINC000002217622 569311545 /nfs/dbraw/zinc/31/15/45/569311545.db2.gz AWCBQKMJCKFADN-UHFFFAOYSA-N -1 0 406.504 3.452 50 0 HGAARM CCOC(=O)[C@]([N-]c1ccccc1F)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000002271845 569327048 /nfs/dbraw/zinc/32/70/48/569327048.db2.gz TYISYJSVBIMFDT-SFHVURJKSA-N -1 0 414.355 3.498 50 0 HGAARM C[C@H]1SCCN(C(=O)c2cccc(C(=O)N3CCS[C@@H](C)[C@@H]3C)c2[O-])[C@H]1C ZINC000253424371 569368073 /nfs/dbraw/zinc/36/80/73/569368073.db2.gz FFDWXPJAGOWYLK-ZQDZILKHSA-N -1 0 408.589 3.324 50 0 HGAARM O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 ZINC000027645155 569385716 /nfs/dbraw/zinc/38/57/16/569385716.db2.gz VJGGHXVGBSZVMZ-DITRNSGJSA-N -1 0 424.921 3.195 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1 ZINC000008861367 569390589 /nfs/dbraw/zinc/39/05/89/569390589.db2.gz NDGQCXPEQNYEOL-BIRYMOPTSA-N -1 0 422.412 3.002 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(-c2cccs2)on1 ZINC000013236820 569410310 /nfs/dbraw/zinc/41/03/10/569410310.db2.gz CRTOBJMEQYQHDL-INIZCTEOSA-N -1 0 410.455 3.380 50 0 HGAARM 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558404452 /nfs/dbraw/zinc/40/44/52/558404452.db2.gz ZOGRZAKAJBITJN-INIZCTEOSA-N -1 0 411.273 3.048 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1ccc2ccc(Br)cc21 ZINC000020745406 558410137 /nfs/dbraw/zinc/41/01/37/558410137.db2.gz BKAYPHURBFNCJK-INIZCTEOSA-N -1 0 401.260 3.216 50 0 HGAARM CCCN1C(=O)NC(=Cc2c(Cc3ccccc3)[n-]n(-c3ccccc3)c2=O)C1=O ZINC000004355446 558443009 /nfs/dbraw/zinc/44/30/09/558443009.db2.gz ANFXVQMHICRSIP-HKWRFOASSA-N -1 0 402.454 3.471 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000013414477 558532161 /nfs/dbraw/zinc/53/21/61/558532161.db2.gz PGLNDOHAZKLBDP-QGZVFWFLSA-N -1 0 422.466 3.122 50 0 HGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000013469673 558533643 /nfs/dbraw/zinc/53/36/43/558533643.db2.gz NHWSVAGUASKVBH-JKSUJKDBSA-N -1 0 418.446 3.232 50 0 HGAARM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000023395338 558556672 /nfs/dbraw/zinc/55/66/72/558556672.db2.gz 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CCOC(=O)C1CCN([C@@H](c2cccs2)c2sc3nc(CC)nn3c2[O-])CC1 ZINC000004584767 558780237 /nfs/dbraw/zinc/78/02/37/558780237.db2.gz YMCOMMGUPURAHT-HNNXBMFYSA-N -1 0 420.560 3.485 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3C)[nH]n2)cc1 ZINC000032984995 558805341 /nfs/dbraw/zinc/80/53/41/558805341.db2.gz LEWBOYMWKDBRDN-UHFFFAOYSA-N -1 0 418.450 3.309 50 0 HGAARM C[C@@H](CC(=O)NCc1ccccc1Cl)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004598498 558834785 /nfs/dbraw/zinc/83/47/85/558834785.db2.gz RVQMVYKFSHZPJL-CYBMUJFWSA-N -1 0 405.907 3.395 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccnc2)c1 ZINC000033023912 558840888 /nfs/dbraw/zinc/84/08/88/558840888.db2.gz WDEZTYJCHUUVHC-UHFFFAOYSA-N -1 0 411.483 3.129 50 0 HGAARM O=C([O-])C1CCC(CNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)CC1 ZINC000049550405 558850210 /nfs/dbraw/zinc/85/02/10/558850210.db2.gz LZFWSCFRJAHPJZ-UHFFFAOYSA-N -1 0 419.481 3.071 50 0 HGAARM CCOC(=O)COc1c(Cl)cc(C=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000004646862 558864079 /nfs/dbraw/zinc/86/40/79/558864079.db2.gz WSKARAXXIHEJLI-UHFFFAOYSA-N -1 0 406.822 3.435 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2C(=O)[O-])CC1 ZINC000033078521 558867942 /nfs/dbraw/zinc/86/79/42/558867942.db2.gz ZMGUIVIKJXAEEM-UHFFFAOYSA-N -1 0 411.458 3.224 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253428 558921479 /nfs/dbraw/zinc/92/14/79/558921479.db2.gz CIDNQPPQZGUSBM-UHFFFAOYSA-N -1 0 404.488 3.431 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000097940931 558945774 /nfs/dbraw/zinc/94/57/74/558945774.db2.gz MOYZTASFOIWEQR-UHFFFAOYSA-N -1 0 402.476 3.098 50 0 HGAARM CNC(=O)c1ccc(CN(Cc2ccco2)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000023186185 559030839 /nfs/dbraw/zinc/03/08/39/559030839.db2.gz PXWZSXQCPLRUSM-UHFFFAOYSA-N -1 0 408.483 3.140 50 0 HGAARM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000004732579 559033239 /nfs/dbraw/zinc/03/32/39/559033239.db2.gz UCWHFAUULYXTMX-UHFFFAOYSA-N -1 0 402.497 3.488 50 0 HGAARM Nc1ncc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c(-c2ccccc2)n1 ZINC000095383213 559080663 /nfs/dbraw/zinc/08/06/63/559080663.db2.gz FBIACOPDPBCTNW-GOSISDBHSA-N -1 0 402.454 3.444 50 0 HGAARM CC(C)(C)OC(=O)N1CCC[C@@H](C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000095914989 559088905 /nfs/dbraw/zinc/08/89/05/559088905.db2.gz MAKOAGMZGLJQPR-IRXDYDNUSA-N -1 0 406.479 3.403 50 0 HGAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)sc2c1 ZINC000011615547 559114703 /nfs/dbraw/zinc/11/47/03/559114703.db2.gz GWUASEMKQOVTFP-UHFFFAOYSA-N -1 0 421.500 3.463 50 0 HGAARM CC(C)(C)OC(=O)N1CCC(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])CC1 ZINC000097757538 559121040 /nfs/dbraw/zinc/12/10/40/559121040.db2.gz ZATSSEPWSKAQRB-KRWDZBQOSA-N -1 0 406.479 3.403 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000100033078 559128857 /nfs/dbraw/zinc/12/88/57/559128857.db2.gz AVYDVNCKZDPXGU-WOJBJXKFSA-N -1 0 405.458 3.050 50 0 HGAARM O=C(NCc1ccc(F)cc1)c1ccc2c(=O)n(Cc3ccco3)c(=S)[n-]c2c1 ZINC000014063487 559147484 /nfs/dbraw/zinc/14/74/84/559147484.db2.gz JYMQYSZVQPQKKN-UHFFFAOYSA-N -1 0 409.442 3.396 50 0 HGAARM CCOc1ccc(-n2c(O)c3c(C(C)=O)nn(-c4ccccc4Cl)c3c2O)cc1 ZINC000103132604 559154798 /nfs/dbraw/zinc/15/47/98/559154798.db2.gz BXUMKEUQRSWZDZ-HKUYNNGSSA-N -1 0 411.845 3.062 50 0 HGAARM CCOc1ccccc1NC(=O)CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1 ZINC000004853646 559192056 /nfs/dbraw/zinc/19/20/56/559192056.db2.gz NFCZHXHODNNDCB-UHFFFAOYSA-N -1 0 409.464 3.067 50 0 HGAARM Cc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000004863650 559193460 /nfs/dbraw/zinc/19/34/60/559193460.db2.gz DOIOVNGUJOPLFR-HXUWFJFHSA-N -1 0 403.438 3.379 50 0 HGAARM Cc1nnc2ccc(-c3cccc([N-]S(=O)(=O)c4cc(F)ccc4F)c3)nn12 ZINC000005150896 559253679 /nfs/dbraw/zinc/25/36/79/559253679.db2.gz SZLADEYLCZPWAO-UHFFFAOYSA-N -1 0 401.398 3.179 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866789 559264359 /nfs/dbraw/zinc/26/43/59/559264359.db2.gz FYRDRWHCLLNEML-UHYGZKCKSA-N -1 0 403.475 3.437 50 0 HGAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238923662 559271707 /nfs/dbraw/zinc/27/17/07/559271707.db2.gz PFJDIEDFCSXTMD-IIAWOOMASA-N -1 0 401.459 3.130 50 0 biogenic HGAARM CCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC000024153003 559274443 /nfs/dbraw/zinc/27/44/43/559274443.db2.gz CEASVKWSPTWCHJ-UHFFFAOYSA-N -1 0 405.472 3.186 50 0 HGAARM C[C@@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1C[C@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000248074409 559275104 /nfs/dbraw/zinc/27/51/04/559275104.db2.gz ICFQVZKELAHHIM-UKIBHBBISA-N -1 0 403.482 3.363 50 0 HGAARM Cc1ccc(C(=O)CN2C(=O)SC(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1 ZINC000005176010 559288599 /nfs/dbraw/zinc/28/85/99/559288599.db2.gz NNGCFRJXAZXPFF-ZDLGFXPLSA-N -1 0 411.435 3.378 50 0 HGAARM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000005263267 560553060 /nfs/dbraw/zinc/55/30/60/560553060.db2.gz VKOGGEGJXHIRQY-UHFFFAOYSA-N -1 0 400.847 3.489 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCCC3=O)c2)c(OC)c1 ZINC000005330218 560565723 /nfs/dbraw/zinc/56/57/23/560565723.db2.gz AQRNNHWAEJFJJB-UHFFFAOYSA-N -1 0 420.487 3.030 50 0 HGAARM COc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(F)cc2)c(Cl)cc1Cl ZINC000005356933 560569570 /nfs/dbraw/zinc/56/95/70/560569570.db2.gz JSMNOGCEMWOWFN-UHFFFAOYSA-N -1 0 408.234 3.421 50 0 HGAARM CC(C)[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000005522690 560605347 /nfs/dbraw/zinc/60/53/47/560605347.db2.gz WZCCTOWBUMZTNX-FSEPTYSPSA-N -1 0 400.862 3.336 50 0 biogenic HGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@@H]2CCCO2)cc1 ZINC000017208839 560703950 /nfs/dbraw/zinc/70/39/50/560703950.db2.gz VRANFUKUUGPJMY-HNNXBMFYSA-N -1 0 414.487 3.030 50 0 HGAARM CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000017264377 560706473 /nfs/dbraw/zinc/70/64/73/560706473.db2.gz SIFHZYJZURFFSS-UKQGIEBLSA-N -1 0 424.497 3.470 50 0 HGAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)[n-]c2=O)cc1 ZINC000018168906 560780831 /nfs/dbraw/zinc/78/08/31/560780831.db2.gz MHMWWXSEDPAFCG-UHFFFAOYSA-N -1 0 414.462 3.437 50 0 HGAARM COc1cccc(C([O-])=CC(=O)C(=O)Nc2ccccc2I)c1 ZINC000101354983 560792271 /nfs/dbraw/zinc/79/22/71/560792271.db2.gz CJMRAZWSCCPIEM-UHFFFAOYSA-N -1 0 423.206 3.080 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c([O-])c3cccnc32)c1 ZINC000101722506 560798948 /nfs/dbraw/zinc/79/89/48/560798948.db2.gz PHRHTKVSSRQBTR-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM O=C(NCc1ccccc1F)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722747 560799007 /nfs/dbraw/zinc/79/90/07/560799007.db2.gz LFGDRUFPDVTASX-UHFFFAOYSA-N -1 0 403.413 3.220 50 0 HGAARM O=C(Nc1ccc2c(c1)OCCO2)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723514 560799360 /nfs/dbraw/zinc/79/93/60/560799360.db2.gz KUDQQJROMCVOCH-UHFFFAOYSA-N -1 0 415.405 3.115 50 0 HGAARM CCOc1ccc(CN(C(=O)c2ccccc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101878060 560804236 /nfs/dbraw/zinc/80/42/36/560804236.db2.gz IVXKVPCUVWSGMQ-UHFFFAOYSA-N -1 0 417.469 3.280 50 0 HGAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)c1 ZINC000101893046 560804556 /nfs/dbraw/zinc/80/45/56/560804556.db2.gz IOYMHZUPECYPKB-IRXDYDNUSA-N -1 0 422.832 3.192 50 0 HGAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1Br ZINC000102170378 560808324 /nfs/dbraw/zinc/80/83/24/560808324.db2.gz BIXPIEHRYNKZPY-SNVBAGLBSA-N -1 0 418.316 3.476 50 0 HGAARM COc1ccc(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)cc1Cl ZINC000102796618 560827830 /nfs/dbraw/zinc/82/78/30/560827830.db2.gz PLXXOKADBQCTHJ-UHFFFAOYSA-N -1 0 409.895 3.457 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1 ZINC000101271693 560851485 /nfs/dbraw/zinc/85/14/85/560851485.db2.gz GNRGZWFXBXOTDN-DLBZAZTESA-N -1 0 422.832 3.192 50 0 HGAARM CC(=O)N[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000108117730 560897967 /nfs/dbraw/zinc/89/79/67/560897967.db2.gz CZZQPFQCSKYAJP-LCIZUOBNSA-N -1 0 404.413 3.110 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c3=4)n2)cc1 ZINC000049002730 568446151 /nfs/dbraw/zinc/44/61/51/568446151.db2.gz VATKVPBORYPHSU-RTBURBONSA-N -1 0 416.441 3.155 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)c(F)c1 ZINC000012321708 568470997 /nfs/dbraw/zinc/47/09/97/568470997.db2.gz JYDOYDAJSLJECG-HXUWFJFHSA-N -1 0 422.416 3.320 50 0 HGAARM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390828732 568591739 /nfs/dbraw/zinc/59/17/39/568591739.db2.gz TWHGSHQJBWNRQD-INIZCTEOSA-N -1 0 403.426 3.413 50 0 HGAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CSCc2cccnc2)c1 ZINC000095425442 568607946 /nfs/dbraw/zinc/60/79/46/568607946.db2.gz JLYDHNKPUQENRN-GOSISDBHSA-N -1 0 413.499 3.033 50 0 HGAARM C[S@@](=O)Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000095463868 568622160 /nfs/dbraw/zinc/62/21/60/568622160.db2.gz MITTVKOSUVYJSK-CPJLOUKISA-N -1 0 424.316 3.273 50 0 HGAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000020989098 568655461 /nfs/dbraw/zinc/65/54/61/568655461.db2.gz BGGSKOLWADNMMD-MSOLQXFVSA-N -1 0 405.389 3.283 50 0 HGAARM COc1ccc2nc(-c3cccc([N-]S(=O)(=O)c4cc(F)ccc4F)c3)cn2n1 ZINC000012441306 568724055 /nfs/dbraw/zinc/72/40/55/568724055.db2.gz BCCWHJWICRKEIJ-UHFFFAOYSA-N -1 0 416.409 3.484 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)ncn1 ZINC000000945101 568754491 /nfs/dbraw/zinc/75/44/91/568754491.db2.gz VSQKPGBGHWUEFC-UHFFFAOYSA-N -1 0 424.891 3.253 50 0 HGAARM S=c1[n-]nc(CCN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1-c1ccccc1 ZINC000022595026 568771258 /nfs/dbraw/zinc/77/12/58/568771258.db2.gz BSLWBIFWROQPEE-UHFFFAOYSA-N -1 0 423.542 3.019 50 0 HGAARM COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3)CC2)cc1 ZINC000022609451 568771740 /nfs/dbraw/zinc/77/17/40/568771740.db2.gz ALPZGXZXMWFFLN-IBGZPJMESA-N -1 0 421.526 3.417 50 0 HGAARM COc1ccc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)cc1 ZINC000001197616 568823092 /nfs/dbraw/zinc/82/30/92/568823092.db2.gz BFIKIPAKLYJRAL-UHFFFAOYSA-N -1 0 401.374 3.425 50 0 biogenic HGAARM CN1C(=O)N[C@H](c2ccc(F)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012560863 568858057 /nfs/dbraw/zinc/85/80/57/568858057.db2.gz LWGIRDKQTGACFI-XJKCOSOUSA-N -1 0 402.369 3.333 50 0 HGAARM O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc(S(=O)(=O)[O-])ccc1O ZINC000003305818 568877371 /nfs/dbraw/zinc/87/73/71/568877371.db2.gz PCKLJRBMTNXPCI-UHFFFAOYSA-N -1 0 408.762 3.251 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000012628224 568881730 /nfs/dbraw/zinc/88/17/30/568881730.db2.gz FPIQIGJNMBTYHA-ZDUSSCGKSA-N -1 0 417.512 3.444 50 0 HGAARM COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc(OC)c1OC ZINC000005441365 568906890 /nfs/dbraw/zinc/90/68/90/568906890.db2.gz USOIXHQTIQTPPJ-KRWDZBQOSA-N -1 0 405.472 3.347 50 0 biogenic HGAARM Cc1cccn2c(=O)cc(COc3ccccc3[N-]S(=O)(=O)c3ccccc3)nc12 ZINC000015865407 569016634 /nfs/dbraw/zinc/01/66/34/569016634.db2.gz PMVBNJNTGHKJJW-UHFFFAOYSA-N -1 0 421.478 3.383 50 0 HGAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000015864546 569016655 /nfs/dbraw/zinc/01/66/55/569016655.db2.gz VSNOHMCDHSBILN-UHFFFAOYSA-N -1 0 411.482 3.337 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3sc(NC(C)=O)nc3c2)c1 ZINC000015870105 569017129 /nfs/dbraw/zinc/01/71/29/569017129.db2.gz VMDPPUMVQUGCDB-UHFFFAOYSA-N -1 0 407.473 3.073 50 0 HGAARM CCS(=O)(=O)Nc1cnc(N2CCC(Cc3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000035397241 569034761 /nfs/dbraw/zinc/03/47/61/569034761.db2.gz VGDDFKRILQNRAR-UHFFFAOYSA-N -1 0 403.504 3.001 50 0 HGAARM CCN(CC)c1ncc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000035397659 569035007 /nfs/dbraw/zinc/03/50/07/569035007.db2.gz QAWQQPRNWCSSMU-UHFFFAOYSA-N -1 0 413.883 3.089 50 0 HGAARM O=C([O-])c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1Br ZINC000101112436 569052803 /nfs/dbraw/zinc/05/28/03/569052803.db2.gz DDWUANWVKUSWMZ-UHFFFAOYSA-N -1 0 411.215 3.447 50 0 HGAARM CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000006553657 569065470 /nfs/dbraw/zinc/06/54/70/569065470.db2.gz CHXGROLJZRNIID-UHFFFAOYSA-N -1 0 415.475 3.005 50 0 HGAARM CC1(C)Cc2c(sc(NC(=O)N(CCO)Cc3ccccc3)c2C(=O)[O-])CO1 ZINC000006754989 569111888 /nfs/dbraw/zinc/11/18/88/569111888.db2.gz XZHDMPOUGHBKKN-UHFFFAOYSA-N -1 0 404.488 3.324 50 0 HGAARM Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c3)o2)cc1 ZINC000064987967 569145542 /nfs/dbraw/zinc/14/55/42/569145542.db2.gz JKXHIRQHCRSFLP-KRWDZBQOSA-N -1 0 415.471 3.100 50 0 HGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2F)s1 ZINC000065183750 569191118 /nfs/dbraw/zinc/19/11/18/569191118.db2.gz RKRJNYZMLTYWOU-UHFFFAOYSA-N -1 0 419.301 3.364 50 0 HGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000007002821 569198922 /nfs/dbraw/zinc/19/89/22/569198922.db2.gz OQRSGGZHUYFJIG-UHFFFAOYSA-N -1 0 400.884 3.281 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000065250006 569206012 /nfs/dbraw/zinc/20/60/12/569206012.db2.gz KCJQNOUFZQEJMR-UHFFFAOYSA-N -1 0 410.817 3.334 50 0 HGAARM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000007423067 569237877 /nfs/dbraw/zinc/23/78/77/569237877.db2.gz HYGBRHNLJUDSFX-UHFFFAOYSA-N -1 0 403.773 3.135 50 0 HGAARM CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000170592121 569240976 /nfs/dbraw/zinc/24/09/76/569240976.db2.gz OIUZQONJCQCSFJ-QZTJIDSGSA-N -1 0 420.868 3.046 50 0 HGAARM COc1cccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CCC(=O)[O-])c1 ZINC000170612599 569246533 /nfs/dbraw/zinc/24/65/33/569246533.db2.gz LOQCYBGOHNHWNB-IBGZPJMESA-N -1 0 412.442 3.255 50 0 HGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002154896 569290252 /nfs/dbraw/zinc/29/02/52/569290252.db2.gz MVGUOVWPUJBEPZ-QFIPXVFZSA-N -1 0 409.438 3.457 50 0 biogenic HGAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)[O-])s3)[C@H](c3ccccc3)C2)cc1 ZINC000252493912 569290757 /nfs/dbraw/zinc/29/07/57/569290757.db2.gz NGHDDHMVLIPUQN-ZWKOTPCHSA-N -1 0 409.467 3.319 50 0 HGAARM Cc1cc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(C)cc(=O)oc2c1 ZINC000252695297 569320272 /nfs/dbraw/zinc/32/02/72/569320272.db2.gz XWURMJXPBINAQM-JYJNAYRXSA-N -1 0 401.459 3.184 50 0 biogenic HGAARM CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349492 569363956 /nfs/dbraw/zinc/36/39/56/569363956.db2.gz OMOKWYAQVYBHMG-WZGFBNHNSA-N -1 0 412.548 3.457 50 0 HGAARM CCNC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000007940671 569385679 /nfs/dbraw/zinc/38/56/79/569385679.db2.gz AFORKOKKJUJNDI-MRXNPFEDSA-N -1 0 418.515 3.094 50 0 HGAARM O=C([O-])CCC/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@@H]1O ZINC000027645174 569385703 /nfs/dbraw/zinc/38/57/03/569385703.db2.gz VJGGHXVGBSZVMZ-OJKUMCEVSA-N -1 0 424.921 3.195 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(-c2cccs2)on1 ZINC000013236818 569410286 /nfs/dbraw/zinc/41/02/86/569410286.db2.gz CRTOBJMEQYQHDL-MRXNPFEDSA-N -1 0 410.455 3.380 50 0 HGAARM COc1cc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc(OC)c1 ZINC000013348798 569411002 /nfs/dbraw/zinc/41/10/02/569411002.db2.gz ASRIXKQVWPFMRT-UHFFFAOYSA-N -1 0 422.488 3.329 50 0 HGAARM Cc1c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c(=O)n(-c2ccccc2)n1C ZINC000079106638 569427649 /nfs/dbraw/zinc/42/76/49/569427649.db2.gz XDHDQQKSOULVBV-UHFFFAOYSA-N -1 0 409.870 3.219 50 0 HGAARM CCCCn1c(=O)c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c([O-])[nH]c1=S ZINC000008914109 571150335 /nfs/dbraw/zinc/15/03/35/571150335.db2.gz BYYAVTYYLLWXRL-OALUTQOASA-N -1 0 421.522 3.455 50 0 HGAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2cccc(C)c2)c1=O ZINC000008994392 571208290 /nfs/dbraw/zinc/20/82/90/571208290.db2.gz LXTDJZNSAGXKHD-OAQYLSRUSA-N -1 0 416.481 3.401 50 0 biogenic HGAARM O=C1N[C@H](c2ccc3ncccc3c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000009090294 571220405 /nfs/dbraw/zinc/22/04/05/571220405.db2.gz HKFUBPZSIICYSI-DAYGRLMNSA-N -1 0 421.400 3.400 50 0 HGAARM O=C(CSc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1)NC1CCCC1 ZINC000070635132 571270269 /nfs/dbraw/zinc/27/02/69/571270269.db2.gz RHTJZFCTYXBCMY-UHFFFAOYSA-N -1 0 419.488 3.189 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684923 571279607 /nfs/dbraw/zinc/27/96/07/571279607.db2.gz LSICJSXCIZPUML-UHFFFAOYSA-N -1 0 405.520 3.077 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)N1CCc2ccccc2C1 ZINC000009821415 571286315 /nfs/dbraw/zinc/28/63/15/571286315.db2.gz VWXGZRIAEUQERF-UHFFFAOYSA-N -1 0 413.524 3.071 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCCC1=CCCCC1 ZINC000009828684 571287030 /nfs/dbraw/zinc/28/70/30/571287030.db2.gz ZUAYBZKGQBAQGR-UHFFFAOYSA-N -1 0 405.545 3.493 50 0 HGAARM O=C([O-])[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000426720475 939145020 /nfs/dbraw/zinc/14/50/20/939145020.db2.gz NBTXPSLFGCQBDH-IBGZPJMESA-N -1 0 410.451 3.043 50 0 HGAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 ZINC000006183035 132309503 /nfs/dbraw/zinc/30/95/03/132309503.db2.gz ZMWGCOAFDFFOGO-CQSZACIVSA-N -1 0 421.780 3.400 50 0 HGAARM C[C@@H]1CN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2[C@H](C)O1 ZINC000009087906 132335542 /nfs/dbraw/zinc/33/55/42/132335542.db2.gz AAXHHKHQORLYBE-YBYFIDKVSA-N -1 0 405.454 3.335 50 0 HGAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000009350942 132338950 /nfs/dbraw/zinc/33/89/50/132338950.db2.gz CFAXCZDWLWVYAF-FQEVSTJZSA-N -1 0 417.387 3.276 50 0 HGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017088456 132465177 /nfs/dbraw/zinc/46/51/77/132465177.db2.gz REZKBKSKZSIOGA-GNNGFNCTSA-N -1 0 410.436 3.491 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2C)CC1 ZINC000032946863 520962068 /nfs/dbraw/zinc/96/20/68/520962068.db2.gz DLHZVFTYRMINLP-UHFFFAOYSA-N -1 0 411.458 3.224 50 0 HGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2C(=O)OC)cc1 ZINC000044921709 521521825 /nfs/dbraw/zinc/52/18/25/521521825.db2.gz YTOPSGQLMNPZIQ-UHFFFAOYSA-N -1 0 403.865 3.166 50 0 HGAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1 ZINC000045961611 521545282 /nfs/dbraw/zinc/54/52/82/521545282.db2.gz CAQYJADOQUIDTB-UHFFFAOYSA-N -1 0 422.528 3.352 50 0 HGAARM COc1ccc(OC)c([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000040310111 524900270 /nfs/dbraw/zinc/90/02/70/524900270.db2.gz UCDLBQQWYIIOBV-HXUWFJFHSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000032971125 525076613 /nfs/dbraw/zinc/07/66/13/525076613.db2.gz JQLVJIZECWHGMS-CQSZACIVSA-N -1 0 404.488 3.431 50 0 HGAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-n2ccnc2)c(F)c1)CC3 ZINC000032902970 526384695 /nfs/dbraw/zinc/38/46/95/526384695.db2.gz CVMBEWMSXRBHJU-NTEUORMPSA-N -1 0 402.385 3.364 50 0 HGAARM O=C([O-])C1CCN(c2nnc(-n3cccc3CNc3cccc(F)c3)s2)CC1 ZINC000020576275 527565484 /nfs/dbraw/zinc/56/54/84/527565484.db2.gz CWUCOVMOEUJNPF-UHFFFAOYSA-N -1 0 401.467 3.381 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)n1 ZINC000000670537 557048463 /nfs/dbraw/zinc/04/84/63/557048463.db2.gz CCUGIPKHHPWOFB-UHFFFAOYSA-N -1 0 410.499 3.466 50 0 HGAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000670533 557048534 /nfs/dbraw/zinc/04/85/34/557048534.db2.gz ZLWGFIMIOUGQOG-UHFFFAOYSA-N -1 0 402.472 3.202 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3Cl)n2)cc1 ZINC000000680064 557055675 /nfs/dbraw/zinc/05/56/75/557055675.db2.gz QYWUNXCHRWFYTI-UHFFFAOYSA-N -1 0 404.879 3.344 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000000780117 557078152 /nfs/dbraw/zinc/07/81/52/557078152.db2.gz WVBNMWNKZVPLAT-UHFFFAOYSA-N -1 0 412.471 3.155 50 0 HGAARM O=C([O-])c1ccccc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000000842475 557097968 /nfs/dbraw/zinc/09/79/68/557097968.db2.gz KUQPSAPLNBBHOT-UHFFFAOYSA-N -1 0 412.357 3.354 50 0 HGAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000898301 557113697 /nfs/dbraw/zinc/11/36/97/557113697.db2.gz QTXVATMWRBCVEZ-UHFFFAOYSA-N -1 0 412.471 3.237 50 0 HGAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627601 557113704 /nfs/dbraw/zinc/11/37/04/557113704.db2.gz WUBUQECRZWESAL-AWEZNQCLSA-N -1 0 423.336 3.113 50 0 HGAARM O=S(=O)([N-]c1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccc2c(c1)CCO2 ZINC000001035134 557149964 /nfs/dbraw/zinc/14/99/64/557149964.db2.gz UUMMQVUOSHJDNZ-UHFFFAOYSA-N -1 0 422.919 3.486 50 0 HGAARM O=C([O-])c1ccc(CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001161191 557218468 /nfs/dbraw/zinc/21/84/68/557218468.db2.gz WLMWRLLSFWKREN-UHFFFAOYSA-N -1 0 400.390 3.115 50 0 HGAARM CCc1c([O-])nc(SCC(=O)NC2CCCCC2)n(-c2ccc(F)cc2)c1=O ZINC000001177709 557228729 /nfs/dbraw/zinc/22/87/29/557228729.db2.gz ZHFDLJSCNRXJBX-UHFFFAOYSA-N -1 0 405.495 3.181 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@](F)(Cl)C(F)(F)F ZINC000002096232 557313428 /nfs/dbraw/zinc/31/34/28/557313428.db2.gz CXNGXCIPGWQSHZ-LLVKDONJSA-N -1 0 417.793 3.349 50 0 HGAARM COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1Br ZINC000002998307 557439094 /nfs/dbraw/zinc/43/90/94/557439094.db2.gz CKXJBBBDWQUUGO-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000004023171 557505583 /nfs/dbraw/zinc/50/55/83/557505583.db2.gz CIPDGAJKNINTBP-NFOMZHRRSA-N -1 0 413.470 3.056 50 0 biogenic HGAARM CCOC(=O)c1ccc(CN2C(=O)S[C@H](Nc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000004271904 557533973 /nfs/dbraw/zinc/53/39/73/557533973.db2.gz QQJYRTPQEOQLDR-INIZCTEOSA-N -1 0 414.439 3.195 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)no1 ZINC000004411692 557552790 /nfs/dbraw/zinc/55/27/90/557552790.db2.gz GLLILZZCQHFKGN-OAHLLOKOSA-N -1 0 415.471 3.498 50 0 HGAARM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004535742 557564453 /nfs/dbraw/zinc/56/44/53/557564453.db2.gz ARWIWKBRNYMFJM-FFZOFVMBSA-N -1 0 412.486 3.140 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccs3)n2)cc1 ZINC000004741338 557590838 /nfs/dbraw/zinc/59/08/38/557590838.db2.gz IHGNBENMSCYLTO-QPJJXVBHSA-N -1 0 400.485 3.468 50 0 HGAARM C[C@]1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1(Cl)Cl ZINC000004749561 557592524 /nfs/dbraw/zinc/59/25/24/557592524.db2.gz LYOGEACYPKGQAF-CYBMUJFWSA-N -1 0 406.316 3.466 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC2CCCCC2)c1 ZINC000005059453 557632169 /nfs/dbraw/zinc/63/21/69/557632169.db2.gz JVFDYSXBEYKKHQ-UHFFFAOYSA-N -1 0 402.472 3.248 50 0 HGAARM CCCC[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000005107357 557636754 /nfs/dbraw/zinc/63/67/54/557636754.db2.gz XCPBCQBTKWOSNU-AZGFIHASSA-N -1 0 410.470 3.226 50 0 HGAARM CCn1cc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cn1 ZINC000002804377 557763371 /nfs/dbraw/zinc/76/33/71/557763371.db2.gz IMWAWKFSSLDBHN-UHFFFAOYSA-N -1 0 400.291 3.255 50 0 HGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000008636564 557797807 /nfs/dbraw/zinc/79/78/07/557797807.db2.gz JSNWVDFOTNUKSM-UHFFFAOYSA-N -1 0 421.525 3.305 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000009356426 557839084 /nfs/dbraw/zinc/83/90/84/557839084.db2.gz PLYAATLEMAVGLT-CYBMUJFWSA-N -1 0 424.906 3.058 50 0 HGAARM CC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022851824 557839497 /nfs/dbraw/zinc/83/94/97/557839497.db2.gz SFFIRQGHWOUINM-QGZVFWFLSA-N -1 0 423.498 3.010 50 0 HGAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)n1 ZINC000020614857 558392066 /nfs/dbraw/zinc/39/20/66/558392066.db2.gz GIGDLVRLYQNOCB-UHFFFAOYSA-N -1 0 407.249 3.257 50 0 HGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000004345241 558427267 /nfs/dbraw/zinc/42/72/67/558427267.db2.gz VWGAVZJHWMDPDC-ZDLGFXPLSA-N -1 0 410.380 3.257 50 0 HGAARM COCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000004356053 558443445 /nfs/dbraw/zinc/44/34/45/558443445.db2.gz FVUVGBHFHKLADE-UNOMPAQXSA-N -1 0 418.453 3.126 50 0 HGAARM C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCC(=O)[O-])C(=O)NC1CCCC1 ZINC000013176980 558525192 /nfs/dbraw/zinc/52/51/92/558525192.db2.gz ONTHAYDDNXSGQM-LLVKDONJSA-N -1 0 423.922 3.064 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000013234968 558527673 /nfs/dbraw/zinc/52/76/73/558527673.db2.gz MNLPZJKNASGRIC-SFHVURJKSA-N -1 0 404.426 3.318 50 0 HGAARM O=C1[N-]C(=O)/C(=C\c2ccccc2OCc2ccc(I)cc2)N1 ZINC000013896918 558600610 /nfs/dbraw/zinc/60/06/10/558600610.db2.gz DVKYLARQTZVXEO-NTEUORMPSA-N -1 0 420.206 3.051 50 0 HGAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)c1ccc(OC(F)F)cc1 ZINC000004486692 558603834 /nfs/dbraw/zinc/60/38/34/558603834.db2.gz HGRXFEQWWNGYNX-NSHDSACASA-N -1 0 413.398 3.088 50 0 HGAARM CCc1sc(C2=N/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)O2)cc1C ZINC000027054413 558669060 /nfs/dbraw/zinc/66/90/60/558669060.db2.gz QTCPNWJNGQUPBT-JYRVWZFOSA-N -1 0 401.440 3.435 50 0 HGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccc(OC(F)F)cc1)N(C)C2=O ZINC000004563682 558733180 /nfs/dbraw/zinc/73/31/80/558733180.db2.gz GJDUIJFVQKHSFC-DLBZAZTESA-N -1 0 407.369 3.300 50 0 HGAARM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000017083247 558815730 /nfs/dbraw/zinc/81/57/30/558815730.db2.gz BVPYLFVLTHYVQT-XJKSGUPXSA-N -1 0 405.549 3.143 50 0 HGAARM COc1ccc(OC)c(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCC3)c1 ZINC000017091408 558819938 /nfs/dbraw/zinc/81/99/38/558819938.db2.gz WYEQIVXATGPXKH-UHFFFAOYSA-N -1 0 418.471 3.310 50 0 HGAARM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C)c(=O)[n-]1)CCCC2 ZINC000017975570 558829056 /nfs/dbraw/zinc/82/90/56/558829056.db2.gz LCWZDRPUTYYENQ-JTQLQIEISA-N -1 0 422.532 3.122 50 0 HGAARM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(Br)s3)c2)N1 ZINC000033139084 558888938 /nfs/dbraw/zinc/88/89/38/558888938.db2.gz GUTZGZRZMNYGRD-ZDUSSCGKSA-N -1 0 419.347 3.173 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1OCC(=O)[O-] ZINC000058420355 558925650 /nfs/dbraw/zinc/92/56/50/558925650.db2.gz PBEDODBZXPMHPW-UHFFFAOYSA-N -1 0 400.250 3.022 50 0 HGAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N2CCCC2)o1 ZINC000097940809 558946689 /nfs/dbraw/zinc/94/66/89/558946689.db2.gz LICWLLLKZAYPSQ-UHFFFAOYSA-N -1 0 418.450 3.154 50 0 HGAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023158137 559022605 /nfs/dbraw/zinc/02/26/05/559022605.db2.gz QFZYHUIMUQVDLH-KRWDZBQOSA-N -1 0 413.478 3.449 50 0 HGAARM CCCC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC000098087294 559126816 /nfs/dbraw/zinc/12/68/16/559126816.db2.gz UJRWOTKNFKYDQM-MQBSTWLZSA-N -1 0 414.546 3.189 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000098212944 559128142 /nfs/dbraw/zinc/12/81/42/559128142.db2.gz YNXOMGWSCCGCTE-VQTJNVASSA-N -1 0 405.458 3.050 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000005024963 559230015 /nfs/dbraw/zinc/23/00/15/559230015.db2.gz RVZVQVFTMWXATN-IBGZPJMESA-N -1 0 412.442 3.255 50 0 HGAARM CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=S)n(Cc2ccccc2)c1=O ZINC000100749945 559262446 /nfs/dbraw/zinc/26/24/46/559262446.db2.gz YKUUXYWYCVWXNH-LJQANCHMSA-N -1 0 407.495 3.154 50 0 biogenic HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 ZINC000005185932 559290758 /nfs/dbraw/zinc/29/07/58/559290758.db2.gz PTQMJPWQYRDWHN-HOTGVXAUSA-N -1 0 403.895 3.449 50 0 HGAARM O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001050176 560726892 /nfs/dbraw/zinc/72/68/92/560726892.db2.gz IKAVYNIGWKBDFC-UHFFFAOYSA-N -1 0 424.316 3.256 50 0 HGAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000004195974 560735279 /nfs/dbraw/zinc/73/52/79/560735279.db2.gz DTFSUOWAYMZZRM-GFCCVEGCSA-N -1 0 422.359 3.160 50 0 HGAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000101260710 560789922 /nfs/dbraw/zinc/78/99/22/560789922.db2.gz QIUYJCCOYOOSHH-JKSUJKDBSA-N -1 0 415.247 3.264 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1OC ZINC000101723538 560799366 /nfs/dbraw/zinc/79/93/66/560799366.db2.gz FFJLVXMOMLRHOD-UHFFFAOYSA-N -1 0 417.421 3.361 50 0 HGAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)n(C)c1=O ZINC000101766388 560799610 /nfs/dbraw/zinc/79/96/10/560799610.db2.gz QOQOXHBDCHIQCQ-KRWDZBQOSA-N -1 0 411.458 3.287 50 0 HGAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(C)cc1 ZINC000102820877 560829683 /nfs/dbraw/zinc/82/96/83/560829683.db2.gz RDQZBRACMWTXFX-GOSISDBHSA-N -1 0 404.426 3.436 50 0 HGAARM Cn1c(=O)c2ccc(C(=O)NCc3cc(F)ccc3Br)cc2[n-]c1=S ZINC000103687160 560843826 /nfs/dbraw/zinc/84/38/26/560843826.db2.gz HWSFWKWIJZXIMP-UHFFFAOYSA-N -1 0 422.279 3.054 50 0 HGAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC ZINC000101260318 560851401 /nfs/dbraw/zinc/85/14/01/560851401.db2.gz XHDUYLPRWODJIZ-IRXDYDNUSA-N -1 0 400.822 3.163 50 0 HGAARM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000046056010 568425712 /nfs/dbraw/zinc/42/57/12/568425712.db2.gz RJABWPYMKBQFQZ-UHFFFAOYSA-N -1 0 404.213 3.101 50 0 HGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000627576 568456102 /nfs/dbraw/zinc/45/61/02/568456102.db2.gz HYBBUZCLWSYURK-CABCVRRESA-N -1 0 410.426 3.497 50 0 HGAARM Cc1cc(C)n(-c2nc3sc4c(c3c(NCCC(=O)[O-])n2)CC(C)(C)OC4)n1 ZINC000012322202 568470872 /nfs/dbraw/zinc/47/08/72/568470872.db2.gz QWQSDYLXRPLECI-UHFFFAOYSA-N -1 0 401.492 3.232 50 0 HGAARM CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccco1 ZINC000033024261 568510438 /nfs/dbraw/zinc/51/04/38/568510438.db2.gz PMKITWPSEALRFT-MRXNPFEDSA-N -1 0 419.528 3.175 50 0 HGAARM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1 ZINC000095425084 568607795 /nfs/dbraw/zinc/60/77/95/568607795.db2.gz UIJULHINCJASMS-UHFFFAOYSA-N -1 0 401.469 3.328 50 0 HGAARM Cc1cnn(-c2ccc(C(N)=O)cc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000095460452 568620231 /nfs/dbraw/zinc/62/02/31/568620231.db2.gz GMMMKDNYKMHMJH-UHFFFAOYSA-N -1 0 424.404 3.099 50 0 HGAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)c1ncoc1C)C(=O)[O-] ZINC000095463938 568622350 /nfs/dbraw/zinc/62/23/50/568622350.db2.gz BMJXVEYOVQGMGD-INIZCTEOSA-N -1 0 422.363 3.360 50 0 HGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C1 ZINC000095970837 568671485 /nfs/dbraw/zinc/67/14/85/568671485.db2.gz XBWHQLQJDSHRPW-LJQANCHMSA-N -1 0 400.435 3.072 50 0 HGAARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117785 568697333 /nfs/dbraw/zinc/69/73/33/568697333.db2.gz DKYMXKWLLZRUCP-HNNXBMFYSA-N -1 0 409.829 3.297 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012420874 568720504 /nfs/dbraw/zinc/72/05/04/568720504.db2.gz FNPSQJCTYUWJFH-HXUWFJFHSA-N -1 0 404.426 3.181 50 0 HGAARM Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2CC(=O)[O-])cc1 ZINC000021657685 568733314 /nfs/dbraw/zinc/73/33/14/568733314.db2.gz XSDYDPWIRXGQKY-UHFFFAOYSA-N -1 0 423.450 3.267 50 0 HGAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc(Br)cc1 ZINC000021661317 568736141 /nfs/dbraw/zinc/73/61/41/568736141.db2.gz ZYIPFAOGPAFWJU-UHFFFAOYSA-N -1 0 408.277 3.190 50 0 HGAARM [O-]C(c1cccs1)=C1[C@@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000000945421 568754503 /nfs/dbraw/zinc/75/45/03/568754503.db2.gz STEYOCFEPKCBKG-YWPYICTPSA-N -1 0 404.410 3.156 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2s1 ZINC000021883088 568757819 /nfs/dbraw/zinc/75/78/19/568757819.db2.gz CZCBPQZCGFEXDC-UHFFFAOYSA-N -1 0 419.513 3.372 50 0 HGAARM CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000983072 568760337 /nfs/dbraw/zinc/76/03/37/568760337.db2.gz QHDXSUUQVKEEOP-UHFFFAOYSA-N -1 0 403.323 3.450 50 0 HGAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578016 568770272 /nfs/dbraw/zinc/77/02/72/568770272.db2.gz HFVFERNNPALZEV-INIZCTEOSA-N -1 0 405.955 3.439 50 0 HGAARM c1cn(Cc2ccccc2)nc1[N-]c1nnc(Cc2ccc(-n3cnnn3)cc2)s1 ZINC000002731376 568804869 /nfs/dbraw/zinc/80/48/69/568804869.db2.gz XVGRLENSAGVWEW-UHFFFAOYSA-N -1 0 415.486 3.093 50 0 HGAARM Cc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@@H]2CCCO2)c3=O)cc1 ZINC000002970856 568831722 /nfs/dbraw/zinc/83/17/22/568831722.db2.gz VBLWFMUMTDKCPC-KRWDZBQOSA-N -1 0 409.511 3.103 50 0 HGAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012560838 568858144 /nfs/dbraw/zinc/85/81/44/568858144.db2.gz YYDYHDWSOQZSDZ-UHFFFAOYSA-N -1 0 417.483 3.462 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@@H](C)C2 ZINC000012560918 568858373 /nfs/dbraw/zinc/85/83/73/568858373.db2.gz IHKNYGQNQLOQDZ-LBPRGKRZSA-N -1 0 420.487 3.177 50 0 HGAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(=O)C(C)(C)C)c1 ZINC000012584778 568866007 /nfs/dbraw/zinc/86/60/07/568866007.db2.gz MYBMTOUVNZNBEZ-UHFFFAOYSA-N -1 0 416.499 3.035 50 0 HGAARM O=C([O-])c1cccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000003659227 568866344 /nfs/dbraw/zinc/86/63/44/568866344.db2.gz KGNMPMDKCLEBKG-UNOMPAQXSA-N -1 0 405.385 3.408 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C ZINC000015434434 568885924 /nfs/dbraw/zinc/88/59/24/568885924.db2.gz IKNDPYJXHREXPQ-UHFFFAOYSA-N -1 0 411.483 3.129 50 0 HGAARM O=C(NCCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000003631932 568921344 /nfs/dbraw/zinc/92/13/44/568921344.db2.gz PKVONWCEMDAUMM-KRWDZBQOSA-N -1 0 409.511 3.211 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(=O)NC1CCCC1 ZINC000016623028 568927982 /nfs/dbraw/zinc/92/79/82/568927982.db2.gz PGSNUDYUOOKNLG-UHFFFAOYSA-N -1 0 409.895 3.217 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cc1 ZINC000015720820 568976444 /nfs/dbraw/zinc/97/64/44/568976444.db2.gz ZBQKQTAXQZMDFX-UHFFFAOYSA-N -1 0 413.480 3.049 50 0 HGAARM CC[C@@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)cc2C1 ZINC000008232548 568984448 /nfs/dbraw/zinc/98/44/48/568984448.db2.gz MWJUMRBCRKYTHX-CYBMUJFWSA-N -1 0 406.529 3.340 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000006085099 568997397 /nfs/dbraw/zinc/99/73/97/568997397.db2.gz ZUFFWHASOZOLTO-DCPHZVHLSA-N -1 0 400.450 3.302 50 0 HGAARM O=C([O-])[C@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227178846 569040016 /nfs/dbraw/zinc/04/00/16/569040016.db2.gz JKKRBOBZGKWIHX-QRWLVFNGSA-N -1 0 421.453 3.343 50 0 HGAARM CN(C[C@@H]1COCCO1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000035510974 569043029 /nfs/dbraw/zinc/04/30/29/569043029.db2.gz OBDFFXCWNHYNFI-MRXNPFEDSA-N -1 0 404.850 3.142 50 0 HGAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@@H](c2cnn(C)c2)CC(=O)O3)c1=O ZINC000524729415 569051521 /nfs/dbraw/zinc/05/15/21/569051521.db2.gz SRQOOPJNGAIMIA-CQSZACIVSA-N -1 0 418.405 3.349 50 0 biogenic HGAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2F)[n-]c1=O ZINC000064774884 569093427 /nfs/dbraw/zinc/09/34/27/569093427.db2.gz JJTGFZRAHIWHQS-UHFFFAOYSA-N -1 0 413.434 3.073 50 0 HGAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000064843309 569107071 /nfs/dbraw/zinc/10/70/71/569107071.db2.gz ZYCOJNNYVURYQX-UHFFFAOYSA-N -1 0 419.503 3.410 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)cc1 ZINC000006784724 569121258 /nfs/dbraw/zinc/12/12/58/569121258.db2.gz HFDUDFBMHFLOSI-UHFFFAOYSA-N -1 0 401.469 3.027 50 0 HGAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000064947300 569129153 /nfs/dbraw/zinc/12/91/53/569129153.db2.gz AXYHBMBEONUAOA-UHFFFAOYSA-N -1 0 403.435 3.200 50 0 HGAARM COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2cc(C(=O)[O-])ccc2C)C1=O ZINC000006831577 569147671 /nfs/dbraw/zinc/14/76/71/569147671.db2.gz AVYPKYGRKYPXPA-HNNXBMFYSA-N -1 0 402.834 3.408 50 0 HGAARM O=C([O-])[C@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000036359583 569151656 /nfs/dbraw/zinc/15/16/56/569151656.db2.gz RCGGEGSVUZKHKW-FQEVSTJZSA-N -1 0 421.453 3.343 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000006887685 569170754 /nfs/dbraw/zinc/17/07/54/569170754.db2.gz PIIWTJPLKQMKHD-UHFFFAOYSA-N -1 0 402.428 3.246 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc(CC(=O)[O-])cc1 ZINC000002564742 569171285 /nfs/dbraw/zinc/17/12/85/569171285.db2.gz OPSTZZKQVYDHNB-IBGZPJMESA-N -1 0 413.470 3.493 50 0 HGAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000006887762 569171434 /nfs/dbraw/zinc/17/14/34/569171434.db2.gz JAUHXQXXZVCTLO-UHFFFAOYSA-N -1 0 402.428 3.231 50 0 HGAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1nncn1-c1ccccc1 ZINC000006910816 569180710 /nfs/dbraw/zinc/18/07/10/569180710.db2.gz YMIULYMNRRQNKR-UHFFFAOYSA-N -1 0 405.410 3.485 50 0 HGAARM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000006920329 569181733 /nfs/dbraw/zinc/18/17/33/569181733.db2.gz ZEVZJMZFFUKGGC-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000065183986 569191058 /nfs/dbraw/zinc/19/10/58/569191058.db2.gz XYMMVONRIAWGBH-UHFFFAOYSA-N -1 0 410.521 3.295 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196241 569194643 /nfs/dbraw/zinc/19/46/43/569194643.db2.gz YHYKTMYZCBFKDI-UHFFFAOYSA-N -1 0 406.529 3.161 50 0 HGAARM C[C@@H](NC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O)c1ccc(F)cc1 ZINC000065249889 569205925 /nfs/dbraw/zinc/20/59/25/569205925.db2.gz RRLONWIMHBRIGJ-CYBMUJFWSA-N -1 0 406.417 3.109 50 0 HGAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O ZINC000065249872 569205969 /nfs/dbraw/zinc/20/59/69/569205969.db2.gz DBGOGNOMRVSAMW-UHFFFAOYSA-N -1 0 424.844 3.393 50 0 HGAARM CCC[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000170592173 569241058 /nfs/dbraw/zinc/24/10/58/569241058.db2.gz OSXQEYQWWAIKNY-RBUKOAKNSA-N -1 0 416.905 3.441 50 0 HGAARM O=C(Cc1ccc(OC(F)F)cc1)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000170597618 569242268 /nfs/dbraw/zinc/24/22/68/569242268.db2.gz RFAFXRCJUHWJLC-HNNXBMFYSA-N -1 0 411.771 3.042 50 0 HGAARM CN(C)c1ncn(-c2cccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)c2)n1 ZINC000170609114 569244879 /nfs/dbraw/zinc/24/48/79/569244879.db2.gz MULIKBJITABXEZ-UHFFFAOYSA-N -1 0 412.302 3.441 50 0 HGAARM COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000007551177 569249101 /nfs/dbraw/zinc/24/91/01/569249101.db2.gz AHBLCHWTDXUFSZ-OAHLLOKOSA-N -1 0 401.246 3.372 50 0 HGAARM Cc1cc(C(=O)N(C)CCc2nccs2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000089591072 569260855 /nfs/dbraw/zinc/26/08/55/569260855.db2.gz JDBNLDHLIQETQD-UHFFFAOYSA-N -1 0 407.439 3.028 50 0 HGAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC(=O)OC34CCCC4)c2)cc1 ZINC000016957143 569268490 /nfs/dbraw/zinc/26/84/90/569268490.db2.gz UVUKOXNSMXIDEO-SFHVURJKSA-N -1 0 422.437 3.452 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1 ZINC000016954555 569268514 /nfs/dbraw/zinc/26/85/14/569268514.db2.gz VWXJEQOBWDDZHX-UHFFFAOYSA-N -1 0 419.409 3.422 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002104382 569282046 /nfs/dbraw/zinc/28/20/46/569282046.db2.gz RTFQGEOOLBPWHU-CFZJUORYSA-N -1 0 415.486 3.363 50 0 biogenic HGAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)[O-])s3)[C@H](c3ccccc3)C2)cc1 ZINC000252493911 569290715 /nfs/dbraw/zinc/29/07/15/569290715.db2.gz NGHDDHMVLIPUQN-ROUUACIJSA-N -1 0 409.467 3.319 50 0 HGAARM O=C([O-])C1CCC(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000170672338 569297820 /nfs/dbraw/zinc/29/78/20/569297820.db2.gz TWBMRRUBCUIMOZ-BRRLXUTPSA-N -1 0 416.337 3.097 50 0 HGAARM O=C([O-])CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000002249297 569324546 /nfs/dbraw/zinc/32/45/46/569324546.db2.gz KGDURUZPHDAMOE-QGZVFWFLSA-N -1 0 407.405 3.277 50 0 HGAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000253425468 569368191 /nfs/dbraw/zinc/36/81/91/569368191.db2.gz UCYWJNNRMCIMIK-VHSXEESVSA-N -1 0 407.225 3.275 50 0 HGAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc2CCC1=O ZINC000008840569 571123269 /nfs/dbraw/zinc/12/32/69/571123269.db2.gz AVNXYJLFCFCQPB-UHFFFAOYSA-N -1 0 404.488 3.194 50 0 HGAARM CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1ccncc1 ZINC000009236083 571240183 /nfs/dbraw/zinc/24/01/83/571240183.db2.gz ITZYJIHGTATEET-UHFFFAOYSA-N -1 0 417.878 3.442 50 0 HGAARM CCc1nnc(NC(=O)c2ccccc2[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000009355773 571250942 /nfs/dbraw/zinc/25/09/42/571250942.db2.gz LVENYGBXHWZRPB-UHFFFAOYSA-N -1 0 402.501 3.295 50 0 HGAARM COC(=O)c1ccc(NC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1 ZINC000009483103 571262147 /nfs/dbraw/zinc/26/21/47/571262147.db2.gz KKTWBCVPCJYFSF-UHFFFAOYSA-N -1 0 401.802 3.428 50 0 HGAARM CSC[C@@H](C(=O)Nc1cc(Cl)ccc1C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000009495171 571263139 /nfs/dbraw/zinc/26/31/39/571263139.db2.gz LYICBFPMRXKLIL-HNNXBMFYSA-N -1 0 418.858 3.005 50 0 HGAARM COc1cc2oc(=O)c(CC(=O)Nc3nc(CC(=O)[O-])cs3)c(C)c2cc1Cl ZINC000009547642 571267792 /nfs/dbraw/zinc/26/77/92/571267792.db2.gz YQEZWGAUIPKXFI-UHFFFAOYSA-N -1 0 422.846 3.028 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000009685137 571279728 /nfs/dbraw/zinc/27/97/28/571279728.db2.gz LRFPFHUJNKCJKB-UHFFFAOYSA-N -1 0 419.547 3.386 50 0 HGAARM O=C([O-])CC1(CNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CCCCC1 ZINC000071281535 571290760 /nfs/dbraw/zinc/29/07/60/571290760.db2.gz CPHXBWVNPYSQBZ-UHFFFAOYSA-N -1 0 417.893 3.105 50 0 HGAARM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1ccc(-c2ccccn2)s1 ZINC000001033566 132235477 /nfs/dbraw/zinc/23/54/77/132235477.db2.gz JHHCOZCYKVKCRS-UHFFFAOYSA-N -1 0 401.513 3.448 50 0 HGAARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c1 ZINC000009015678 132335069 /nfs/dbraw/zinc/33/50/69/132335069.db2.gz GRYSOAFXYIUDCT-QFIPXVFZSA-N -1 0 409.442 3.114 50 0 HGAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@H](c2ccc(Cl)cc2)NN1 ZINC000013572388 132457342 /nfs/dbraw/zinc/45/73/42/132457342.db2.gz MHSMXSBKJXKKQY-PQDJCJPTSA-N -1 0 417.252 3.070 50 0 HGAARM COCc1nn2c(ncc3c(=O)n([C@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397819 523244991 /nfs/dbraw/zinc/24/49/91/523244991.db2.gz WRLKLYLXCIPDSR-LLVKDONJSA-N -1 0 412.833 3.157 50 0 HGAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007054171 524001301 /nfs/dbraw/zinc/00/13/01/524001301.db2.gz WTHKZCMOBSYZMJ-AWEZNQCLSA-N -1 0 404.488 3.177 50 0 HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 ZINC000048985041 526556318 /nfs/dbraw/zinc/55/63/18/526556318.db2.gz IMUQAAZUWINNBT-UHFFFAOYSA-N -1 0 402.480 3.000 50 0 HGAARM O=C([O-])CCCC(=O)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000000889805 527576357 /nfs/dbraw/zinc/57/63/57/527576357.db2.gz PMHKLKSBKHHXCZ-UHFFFAOYSA-N -1 0 404.470 3.200 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)no1 ZINC000000810546 557087601 /nfs/dbraw/zinc/08/76/01/557087601.db2.gz GFEUVABDMQOHMF-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)no1 ZINC000000904158 557115051 /nfs/dbraw/zinc/11/50/51/557115051.db2.gz IPQVBJBTKPIWTD-UHFFFAOYSA-N -1 0 401.444 3.110 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)no1 ZINC000000904160 557115062 /nfs/dbraw/zinc/11/50/62/557115062.db2.gz PYMYTMATBGZXEP-UHFFFAOYSA-N -1 0 401.444 3.110 50 0 HGAARM Cc1c(C(=O)Cc2c(=O)oc3ccccc3c2[O-])sc2nc(C(F)(F)F)nn12 ZINC000001041590 557153754 /nfs/dbraw/zinc/15/37/54/557153754.db2.gz CQBBCBWPEJUYCY-UHFFFAOYSA-N -1 0 409.345 3.355 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c(C)c1 ZINC000001063338 557165317 /nfs/dbraw/zinc/16/53/17/557165317.db2.gz AGZAPNZTTVOGLS-UHFFFAOYSA-N -1 0 408.907 3.230 50 0 HGAARM O=c1cc(CSc2nnnn2-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000001109232 557181994 /nfs/dbraw/zinc/18/19/94/557181994.db2.gz FKCBABLQBOETPP-UHFFFAOYSA-N -1 0 407.484 3.157 50 0 HGAARM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]N3C(=O)c4ccccc4C3=O)cc12 ZINC000002511876 557353771 /nfs/dbraw/zinc/35/37/71/557353771.db2.gz CPCVETLBFUHXML-UHFFFAOYSA-N -1 0 402.435 3.336 50 0 HGAARM COc1cc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)ccc1OCC1CCC1 ZINC000034767286 557462406 /nfs/dbraw/zinc/46/24/06/557462406.db2.gz XBKAWKDWBQXADE-UHFFFAOYSA-N -1 0 414.506 3.137 50 0 HGAARM CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000004970536 557618562 /nfs/dbraw/zinc/61/85/62/557618562.db2.gz VIUCDFXGTLFRFX-UHFFFAOYSA-N -1 0 401.444 3.435 50 0 HGAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)[C@H](C(=O)[O-])C1 ZINC000004994035 557622543 /nfs/dbraw/zinc/62/25/43/557622543.db2.gz ILIGCSVGXRKHMZ-WOJBJXKFSA-N -1 0 407.470 3.397 50 0 HGAARM CCCCOc1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000002696657 557741467 /nfs/dbraw/zinc/74/14/67/557741467.db2.gz UUIUFWIVXOJINC-INIZCTEOSA-N -1 0 400.456 3.383 50 0 HGAARM Cc1nn(C)cc1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002778023 557761066 /nfs/dbraw/zinc/76/10/66/557761066.db2.gz RKXJWQGFJAXDKJ-CYBMUJFWSA-N -1 0 413.547 3.343 50 0 HGAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(F)cc3Cl)c2C)cn1 ZINC000002804950 557763826 /nfs/dbraw/zinc/76/38/26/557763826.db2.gz CQVGGBPSVWYJIA-UHFFFAOYSA-N -1 0 411.890 3.358 50 0 HGAARM CCCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975391 557776872 /nfs/dbraw/zinc/77/68/72/557776872.db2.gz AWGBLYMFCIJAMR-UHFFFAOYSA-N -1 0 411.483 3.366 50 0 HGAARM CCOC(=O)C1CCN([C@@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])CC1 ZINC000022853574 557840301 /nfs/dbraw/zinc/84/03/01/557840301.db2.gz GSARVXIMJQPYJM-HNNXBMFYSA-N -1 0 404.492 3.016 50 0 HGAARM CCc1nnc2sc(-c3ccc(OC)c([N-]S(=O)(=O)c4ccccc4)c3)nn12 ZINC000010010296 557854309 /nfs/dbraw/zinc/85/43/09/557854309.db2.gz MTJXZYXIWXRALG-UHFFFAOYSA-N -1 0 415.500 3.225 50 0 HGAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000019852539 558295950 /nfs/dbraw/zinc/29/59/50/558295950.db2.gz AFODMGVOBJWQTF-UHFFFAOYSA-N -1 0 424.269 3.398 50 0 HGAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000019881891 558301106 /nfs/dbraw/zinc/30/11/06/558301106.db2.gz JGZKUTSKWGUGBS-LBPRGKRZSA-N -1 0 412.345 3.103 50 0 HGAARM Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])n2nc3nc(C(F)(F)F)cc(C)c3c2n1 ZINC000020615871 558392718 /nfs/dbraw/zinc/39/27/18/558392718.db2.gz QJXKCODKKGDNRR-UHFFFAOYSA-N -1 0 404.352 3.320 50 0 HGAARM Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1C(=O)NCc1ccccn1 ZINC000020722608 558403508 /nfs/dbraw/zinc/40/35/08/558403508.db2.gz MHYKZHRBFDXQAZ-UHFFFAOYSA-N -1 0 422.919 3.231 50 0 HGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@H](C)C2 ZINC000021900831 558454834 /nfs/dbraw/zinc/45/48/34/558454834.db2.gz XKWTUIAIXDTKAM-CYBMUJFWSA-N -1 0 405.472 3.371 50 0 HGAARM O=C(NCc1cccnc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013693687 558574904 /nfs/dbraw/zinc/57/49/04/558574904.db2.gz BSONMUUIZGDALJ-UHFFFAOYSA-N -1 0 424.507 3.422 50 0 HGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000024435617 558597300 /nfs/dbraw/zinc/59/73/00/558597300.db2.gz QRGSEOZXDSPBPT-HZPDHXFCSA-N -1 0 418.515 3.136 50 0 HGAARM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)N1 ZINC000013940645 558604210 /nfs/dbraw/zinc/60/42/10/558604210.db2.gz FMLPVMMDSJQMFO-DHDCSXOGSA-N -1 0 420.206 3.051 50 0 HGAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000024970068 558623166 /nfs/dbraw/zinc/62/31/66/558623166.db2.gz QQPSQOYKTXRKOS-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM CC(C)(C)OC(=O)N[C@H](CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[O-] ZINC000015446386 558740244 /nfs/dbraw/zinc/74/02/44/558740244.db2.gz OSWNGAXIPREVLH-QGZVFWFLSA-N -1 0 406.479 3.403 50 0 HGAARM COC(=O)[C@@]([N-]S(=O)(=O)c1ccccc1)(c1c[nH]c2ccccc21)C(F)(F)F ZINC000003103070 558749858 /nfs/dbraw/zinc/74/98/58/558749858.db2.gz FVZXGNIMLMYIQO-KRWDZBQOSA-N -1 0 412.389 3.077 50 0 HGAARM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nnn[n-]1 ZINC000016741967 558803868 /nfs/dbraw/zinc/80/38/68/558803868.db2.gz NBOPMFGEZRPRAV-CQSZACIVSA-N -1 0 414.208 3.363 50 0 HGAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000097931215 558810807 /nfs/dbraw/zinc/81/08/07/558810807.db2.gz FMEDRQKPBODNSC-OALUTQOASA-N -1 0 416.441 3.353 50 0 HGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)NCc1ccco1 ZINC000017082411 558814613 /nfs/dbraw/zinc/81/46/13/558814613.db2.gz AHWMFRQBBAOHRQ-INCPQMAJSA-N -1 0 402.472 3.347 50 0 HGAARM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000017083245 558815716 /nfs/dbraw/zinc/81/57/16/558815716.db2.gz BVPYLFVLTHYVQT-BBRMVZONSA-N -1 0 405.549 3.143 50 0 HGAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000017087693 558816483 /nfs/dbraw/zinc/81/64/83/558816483.db2.gz KUURWSPFHPKZAZ-UHFFFAOYSA-N -1 0 407.488 3.490 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017089858 558818434 /nfs/dbraw/zinc/81/84/34/558818434.db2.gz XPCIEODDRXWCBW-KGLIPLIRSA-N -1 0 414.483 3.365 50 0 HGAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017093211 558821569 /nfs/dbraw/zinc/82/15/69/558821569.db2.gz MPNZYJWSABOVKN-LBPRGKRZSA-N -1 0 422.547 3.221 50 0 HGAARM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3c(C)noc3C)cc2OC)s1 ZINC000033007900 558828649 /nfs/dbraw/zinc/82/86/49/558828649.db2.gz UEYPTSDSJHZPOT-UHFFFAOYSA-N -1 0 410.477 3.059 50 0 HGAARM O=C([O-])[C@H]1CCCN1C1(c2nnnn2-c2ccc(Br)cc2)CCCCC1 ZINC000004604015 558847333 /nfs/dbraw/zinc/84/73/33/558847333.db2.gz GQTLSHDMQBYULM-OAHLLOKOSA-N -1 0 420.311 3.133 50 0 HGAARM COC(=O)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004674969 558886578 /nfs/dbraw/zinc/88/65/78/558886578.db2.gz LXJVMBVOJTVUMM-XUJVJEKNSA-N -1 0 400.258 3.381 50 0 HGAARM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(F)cc2Br)c1 ZINC000058391604 558923532 /nfs/dbraw/zinc/92/35/32/558923532.db2.gz MVHOICYNEQQOPX-UHFFFAOYSA-N -1 0 404.213 3.101 50 0 HGAARM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2sc(C(C)(C)C)nc2C)C1=O ZINC000058429286 558926395 /nfs/dbraw/zinc/92/63/95/558926395.db2.gz SFQRLDXGYQHXSL-FQEVSTJZSA-N -1 0 400.504 3.251 50 0 HGAARM O=C([O-])c1ccccc1CC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072400868 558935331 /nfs/dbraw/zinc/93/53/31/558935331.db2.gz IQYXPDDMGFZNAX-UHFFFAOYSA-N -1 0 407.392 3.080 50 0 HGAARM COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000096551514 558971285 /nfs/dbraw/zinc/97/12/85/558971285.db2.gz MOPGTUAGRNUGDE-CAPFRKAQSA-N -1 0 410.470 3.227 50 0 HGAARM NC(=O)c1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1[nH]c(=O)cc2[O-] ZINC000065362771 558973637 /nfs/dbraw/zinc/97/36/37/558973637.db2.gz FIQOVFAWHJPYSW-UHFFFAOYSA-N -1 0 418.540 3.272 50 0 HGAARM O=C(Cc1c[nH]c2ccccc12)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097151819 558997419 /nfs/dbraw/zinc/99/74/19/558997419.db2.gz QVCPMJCDUYCIIO-UHFFFAOYSA-N -1 0 423.476 3.298 50 0 HGAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC ZINC000023125652 559013685 /nfs/dbraw/zinc/01/36/85/559013685.db2.gz XHDUYLPRWODJIZ-IAGOWNOFSA-N -1 0 400.822 3.163 50 0 HGAARM COc1ccccc1CCNC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O ZINC000004743001 559044807 /nfs/dbraw/zinc/04/48/07/559044807.db2.gz SZBVZIIVTCYCTM-UHFFFAOYSA-N -1 0 401.846 3.370 50 0 HGAARM O=C([O-])c1cn(C[C@@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)nn1 ZINC000725240967 559067690 /nfs/dbraw/zinc/06/76/90/559067690.db2.gz OKVKXOOQPBVJCA-HNNXBMFYSA-N -1 0 418.453 3.390 50 0 HGAARM COC(=O)C[C@H](c1c(=O)nc2ccc(Cl)cn2c1[O-])C1=Cc2ccccc2OC1 ZINC000205952687 559186868 /nfs/dbraw/zinc/18/68/68/559186868.db2.gz DGUZBSDOGWSWAT-HNNXBMFYSA-N -1 0 412.829 3.176 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)c(C)c2)c(OC)c1 ZINC000005329878 560565526 /nfs/dbraw/zinc/56/55/26/560565526.db2.gz UHAOEWXDSTVHGP-UHFFFAOYSA-N -1 0 404.488 3.330 50 0 HGAARM COc1ccc(I)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000170615123 560767885 /nfs/dbraw/zinc/76/78/85/560767885.db2.gz SDARXHZLXPCOPC-NSHDSACASA-N -1 0 417.268 3.339 50 0 HGAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000005684003 560781589 /nfs/dbraw/zinc/78/15/89/560781589.db2.gz MVFGBZTUQTVIQB-UHFFFAOYSA-N -1 0 404.444 3.163 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000101166066 560787320 /nfs/dbraw/zinc/78/73/20/560787320.db2.gz WFOWWIKOAMPKDP-RTWAWAEBSA-N -1 0 419.485 3.304 50 0 HGAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168483 560787536 /nfs/dbraw/zinc/78/75/36/560787536.db2.gz SPUZIUGGDXHMRU-RTWAWAEBSA-N -1 0 419.485 3.304 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000101274989 560790286 /nfs/dbraw/zinc/79/02/86/560790286.db2.gz HXQROEYSWXQPRW-MOPGFXCFSA-N -1 0 416.441 3.101 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1C ZINC000101277577 560790314 /nfs/dbraw/zinc/79/03/14/560790314.db2.gz ZCPKYOBRLXLVOM-MOPGFXCFSA-N -1 0 416.441 3.155 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3)c([O-])c3cccnc32)c1 ZINC000101722205 560798728 /nfs/dbraw/zinc/79/87/28/560798728.db2.gz VSFLJIIWLXBCPW-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM O=c1cc(CN2CCN(c3ccccc3)CC2)nc2[n-]c(-c3ccc(Cl)cc3)nn21 ZINC000101747338 560800104 /nfs/dbraw/zinc/80/01/04/560800104.db2.gz FTFUDDXBMKSQTN-UHFFFAOYSA-N -1 0 420.904 3.060 50 0 HGAARM O=C(Cn1nc2c3cc(F)ccc3[nH]cc-2c1=O)Nc1ccc(Br)cc1 ZINC000101800945 560802052 /nfs/dbraw/zinc/80/20/52/560802052.db2.gz USRLVJXIRIEMRA-UHFFFAOYSA-N -1 0 415.222 3.370 50 0 HGAARM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccccc1-c1nc(=O)c(-c2ccc(F)cc2)n[n-]1 ZINC000101894536 560804650 /nfs/dbraw/zinc/80/46/50/560804650.db2.gz RUDIHTBCSAYPHG-HZPDHXFCSA-N -1 0 418.428 3.318 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(OC)cc2)cc1 ZINC000102901217 560834938 /nfs/dbraw/zinc/83/49/38/560834938.db2.gz CJYRRDCPEHEEEQ-IBGZPJMESA-N -1 0 420.425 3.136 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)c(C(=O)[O-])c2)CC1 ZINC000045967660 568422969 /nfs/dbraw/zinc/42/29/69/568422969.db2.gz VJJQAXWZBHNLMI-UHFFFAOYSA-N -1 0 411.458 3.224 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)c(C(=O)[O-])c2)CC1 ZINC000045967613 568422970 /nfs/dbraw/zinc/42/29/70/568422970.db2.gz LLQGPYDFVAHMIG-UHFFFAOYSA-N -1 0 411.458 3.224 50 0 HGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccc(O)c2)CC(=O)N3)c(OC)c1 ZINC000049543347 568451096 /nfs/dbraw/zinc/45/10/96/568451096.db2.gz FAQGMGXIIKKCNR-OAHLLOKOSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccc(O)c2)CC(=O)N3)c1 ZINC000049543264 568451166 /nfs/dbraw/zinc/45/11/66/568451166.db2.gz CAAZEFSCASHMMS-OAHLLOKOSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc(OC)c1OC ZINC000000718647 568465984 /nfs/dbraw/zinc/46/59/84/568465984.db2.gz KWYRCMJZJUBVFA-GXFFZTMASA-N -1 0 401.341 3.267 50 0 HGAARM Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1C(=O)NCc1ccncc1 ZINC000012321749 568471002 /nfs/dbraw/zinc/47/10/02/568471002.db2.gz DSWGQERUTVDXOB-UHFFFAOYSA-N -1 0 422.919 3.231 50 0 HGAARM CC(=O)N[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000221914427 568512036 /nfs/dbraw/zinc/51/20/36/568512036.db2.gz CZZQPFQCSKYAJP-XSXHMXBXSA-N -1 0 404.413 3.110 50 0 HGAARM O=C(CNS(=O)(=O)c1cccs1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000095458540 568619053 /nfs/dbraw/zinc/61/90/53/568619053.db2.gz INOZKZQWGLABKR-UHFFFAOYSA-N -1 0 415.707 3.331 50 0 HGAARM COc1cccc2c(=O)c(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3C)[n-]c12 ZINC000225615226 568657266 /nfs/dbraw/zinc/65/72/66/568657266.db2.gz PFVLAKHRXWCYRF-UHFFFAOYSA-N -1 0 407.470 3.242 50 0 HGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C1 ZINC000095970836 568671560 /nfs/dbraw/zinc/67/15/60/568671560.db2.gz XBWHQLQJDSHRPW-IBGZPJMESA-N -1 0 400.435 3.072 50 0 HGAARM COC(=O)CCSc1ncccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000096013532 568685418 /nfs/dbraw/zinc/68/54/18/568685418.db2.gz SHJIWZGKWIWEIE-UHFFFAOYSA-N -1 0 400.909 3.499 50 0 HGAARM COCC(=O)N1CCCc2ccc(NC(=O)C[C@H](CC(=O)[O-])c3cccs3)cc21 ZINC000096024588 568686014 /nfs/dbraw/zinc/68/60/14/568686014.db2.gz UKRDXZDXBJIUFF-OAHLLOKOSA-N -1 0 416.499 3.261 50 0 HGAARM CCc1cccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000096361021 568738809 /nfs/dbraw/zinc/73/88/09/568738809.db2.gz AZFBUNPUHGJWMY-UHFFFAOYSA-N -1 0 414.487 3.342 50 0 HGAARM O=S(=O)([N-]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1c(F)cccc1F ZINC000055649772 568781334 /nfs/dbraw/zinc/78/13/34/568781334.db2.gz LEFRWYVGPMDLNY-UHFFFAOYSA-N -1 0 402.413 3.186 50 0 HGAARM CCOC(=O)c1ccc(NC(=O)CS[C@@H](CC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000028294967 568784168 /nfs/dbraw/zinc/78/41/68/568784168.db2.gz ZVBUQAWOEQPKAN-SFHVURJKSA-N -1 0 415.467 3.261 50 0 HGAARM CCOC(=O)c1ccc(NC(=O)CS[C@H](CC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000028294969 568784180 /nfs/dbraw/zinc/78/41/80/568784180.db2.gz ZVBUQAWOEQPKAN-GOSISDBHSA-N -1 0 415.467 3.261 50 0 HGAARM CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002726348 568803897 /nfs/dbraw/zinc/80/38/97/568803897.db2.gz XKUGKMJOLRUTFI-UHFFFAOYSA-N -1 0 406.514 3.313 50 0 HGAARM NS(=O)(=O)c1ccc(CCn2c(=O)c3sc4ccccc4c3[n-]c2=S)cc1 ZINC000002961702 568830469 /nfs/dbraw/zinc/83/04/69/568830469.db2.gz DPFWHBNIVJEQSQ-UHFFFAOYSA-N -1 0 417.537 3.164 50 0 HGAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N3CCCC3)c(=O)c2cc1OCC ZINC000003010265 568837714 /nfs/dbraw/zinc/83/77/14/568837714.db2.gz UXNLJNCEXHHKKW-UHFFFAOYSA-N -1 0 405.520 3.259 50 0 HGAARM CCOC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2o1 ZINC000003219969 568847211 /nfs/dbraw/zinc/84/72/11/568847211.db2.gz XTWZQCAARXQWPR-UHFFFAOYSA-N -1 0 422.484 3.292 50 0 HGAARM CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000012548688 568851920 /nfs/dbraw/zinc/85/19/20/568851920.db2.gz AJSUCFJFBUPOGL-UHFFFAOYSA-N -1 0 423.343 3.481 50 0 HGAARM C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000012559770 568857222 /nfs/dbraw/zinc/85/72/22/568857222.db2.gz FJDDCKBXDSELDZ-QMMMGPOBSA-N -1 0 401.416 3.231 50 0 HGAARM COC(=O)c1cc(OC)c(OC(F)F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000012605334 568871043 /nfs/dbraw/zinc/87/10/43/568871043.db2.gz WHMVQSFEBPSUML-UHFFFAOYSA-N -1 0 419.377 3.332 50 0 HGAARM CC(C)COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCCC(=O)[O-])cc1 ZINC000004026390 568878131 /nfs/dbraw/zinc/87/81/31/568878131.db2.gz VEJRUJMKGPRFQP-RCCKNPSSSA-N -1 0 424.497 3.473 50 0 biogenic HGAARM O=C([N-]n1c(COc2ccccc2)nc2ccccc2c1=O)C(Cl)(Cl)Cl ZINC000001243727 568908397 /nfs/dbraw/zinc/90/83/97/568908397.db2.gz XRIGPWYPAMUKOE-UHFFFAOYSA-N -1 0 412.660 3.416 50 0 HGAARM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000031719932 568929567 /nfs/dbraw/zinc/92/95/67/568929567.db2.gz KIUGWGWMQVVWRB-UHFFFAOYSA-N -1 0 402.350 3.343 50 0 HGAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)NC(C)C)cc1 ZINC000012748684 568935096 /nfs/dbraw/zinc/93/50/96/568935096.db2.gz FJRVAXOZBWGBBX-UHFFFAOYSA-N -1 0 422.503 3.042 50 0 HGAARM COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004194580 568950944 /nfs/dbraw/zinc/95/09/44/568950944.db2.gz CKULKANOCVZWHY-SFHVURJKSA-N -1 0 412.442 3.255 50 0 HGAARM CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000004283147 568959096 /nfs/dbraw/zinc/95/90/96/568959096.db2.gz UKVWFTDBYCGOFA-KRWDZBQOSA-N -1 0 404.507 3.181 50 0 HGAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1ccccc1F ZINC000015731511 568982042 /nfs/dbraw/zinc/98/20/42/568982042.db2.gz RMASQQWKQPTAEX-UHFFFAOYSA-N -1 0 400.431 3.493 50 0 HGAARM COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000015781922 569002873 /nfs/dbraw/zinc/00/28/73/569002873.db2.gz OYFIBXVIVHSCCD-INIZCTEOSA-N -1 0 400.431 3.318 50 0 HGAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000012901676 569020810 /nfs/dbraw/zinc/02/08/10/569020810.db2.gz RKAINKLEGYCBEY-INIZCTEOSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000025691337 569025356 /nfs/dbraw/zinc/02/53/56/569025356.db2.gz LFHIOOBWQJBUPB-UXPWSPDFSA-N -1 0 412.486 3.140 50 0 HGAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)[n-]c1=O ZINC000035377937 569034462 /nfs/dbraw/zinc/03/44/62/569034462.db2.gz XRRCSLCSRBARFX-UHFFFAOYSA-N -1 0 409.471 3.242 50 0 HGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000006273979 569036779 /nfs/dbraw/zinc/03/67/79/569036779.db2.gz ZSYSVZDAQKHYJN-HXUWFJFHSA-N -1 0 423.465 3.327 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000026771883 569056543 /nfs/dbraw/zinc/05/65/43/569056543.db2.gz FYRDRWHCLLNEML-BBEJJTJUSA-N -1 0 403.475 3.437 50 0 HGAARM COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000089420208 569060137 /nfs/dbraw/zinc/06/01/37/569060137.db2.gz LYXPPUAHWLHNMB-UHFFFAOYSA-N -1 0 424.906 3.293 50 0 HGAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2 ZINC000006624292 569061130 /nfs/dbraw/zinc/06/11/30/569061130.db2.gz XSRLGERJVZYKHS-SFTDATJTSA-N -1 0 412.486 3.470 50 0 biogenic HGAARM CC1=C(CC(=O)NCC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000006759748 569113335 /nfs/dbraw/zinc/11/33/35/569113335.db2.gz YHIPTYHDOZQZLO-BQGSQNFOSA-N -1 0 413.470 3.482 50 0 HGAARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2n(C)c1=O ZINC000064976643 569139764 /nfs/dbraw/zinc/13/97/64/569139764.db2.gz MJABQOYOJYQIQR-UHFFFAOYSA-N -1 0 419.812 3.350 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000065196124 569194490 /nfs/dbraw/zinc/19/44/90/569194490.db2.gz PYGXPSQLGFGTHP-UHFFFAOYSA-N -1 0 400.909 3.116 50 0 HGAARM CCOc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)cc1 ZINC000065249947 569205955 /nfs/dbraw/zinc/20/59/55/569205955.db2.gz NQIKWSVXCGZZPF-UHFFFAOYSA-N -1 0 408.389 3.210 50 0 HGAARM CCCS(=O)(=O)[N-]c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC ZINC000007140998 569225534 /nfs/dbraw/zinc/22/55/34/569225534.db2.gz PVPNVBXVCXRDJV-UHFFFAOYSA-N -1 0 418.924 3.301 50 0 HGAARM O=C([O-])[C@@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(F)c(F)c1 ZINC000170592167 569241062 /nfs/dbraw/zinc/24/10/62/569241062.db2.gz YYNCYLBZOSIEKO-HNNXBMFYSA-N -1 0 418.165 3.187 50 0 HGAARM CCOc1ccc(C2=N/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000014242518 569259214 /nfs/dbraw/zinc/25/92/14/569259214.db2.gz NZNSOUOAKNKFNX-BOPFTXTBSA-N -1 0 411.410 3.292 50 0 HGAARM COC(=O)c1c(NC(=O)CSCC(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000017092714 569274714 /nfs/dbraw/zinc/27/47/14/569274714.db2.gz LKKNWCRRXPEYAL-UHFFFAOYSA-N -1 0 421.496 3.065 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002093478 569280639 /nfs/dbraw/zinc/28/06/39/569280639.db2.gz YJFDFURMBSVLEB-VLIAUNLRSA-N -1 0 409.438 3.373 50 0 biogenic HGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002107791 569283205 /nfs/dbraw/zinc/28/32/05/569283205.db2.gz ZSYSVZDAQKHYJN-FQEVSTJZSA-N -1 0 423.465 3.327 50 0 biogenic HGAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007726673 569303368 /nfs/dbraw/zinc/30/33/68/569303368.db2.gz KIOLCEZAJSCFCS-UHFFFAOYSA-N -1 0 401.307 3.438 50 0 HGAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cnc(Cl)n1C)c1ccccc1 ZINC000079106662 569427670 /nfs/dbraw/zinc/42/76/70/569427670.db2.gz FARUQAPCXFILQK-CYBMUJFWSA-N -1 0 418.906 3.365 50 0 HGAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000008556895 571080437 /nfs/dbraw/zinc/08/04/37/571080437.db2.gz DANDKJUNCIVIIX-LADRWXRNSA-N -1 0 416.518 3.356 50 0 HGAARM O=C([O-])CCn1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)c(-c2ccccc2)n1 ZINC000008683282 571101240 /nfs/dbraw/zinc/10/12/40/571101240.db2.gz GJQORAXZUHUMLO-QGOAFFKASA-N -1 0 418.478 3.287 50 0 HGAARM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc2c(c(Cl)c1)OCO2 ZINC000069515948 571228731 /nfs/dbraw/zinc/22/87/31/571228731.db2.gz LJOCDXIMWVCBEE-UHFFFAOYSA-N -1 0 408.646 3.494 50 0 HGAARM CCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C(=O)[O-] ZINC000069510427 571228735 /nfs/dbraw/zinc/22/87/35/571228735.db2.gz XNUZKRAIHWDHPV-UHFFFAOYSA-N -1 0 406.460 3.179 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccccc3OC)c2)cc1 ZINC000009152003 571230756 /nfs/dbraw/zinc/23/07/56/571230756.db2.gz SKOGWELLZYVOSQ-UHFFFAOYSA-N -1 0 413.455 3.152 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000009685151 571279717 /nfs/dbraw/zinc/27/97/17/571279717.db2.gz DRVWXIMYDDXILY-UHFFFAOYSA-N -1 0 405.520 3.077 50 0 HGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1 ZINC000009685064 571279731 /nfs/dbraw/zinc/27/97/31/571279731.db2.gz PQLBTUIVZBSHMF-UHFFFAOYSA-N -1 0 417.531 3.271 50 0 HGAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cn3)s2)on1 ZINC000009688761 571280198 /nfs/dbraw/zinc/28/01/98/571280198.db2.gz CWBSWMSMPSWYNM-UHFFFAOYSA-N -1 0 413.864 3.429 50 0 HGAARM COc1ccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)cc1 ZINC000009761983 571284617 /nfs/dbraw/zinc/28/46/17/571284617.db2.gz GVYQDXDKIRZWSF-UHFFFAOYSA-N -1 0 411.892 3.191 50 0 HGAARM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000010515395 571304094 /nfs/dbraw/zinc/30/40/94/571304094.db2.gz BXRLDSCQSRQPAG-UHFFFAOYSA-N -1 0 419.247 3.230 50 0 HGAARM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000006564281 571317561 /nfs/dbraw/zinc/31/75/61/571317561.db2.gz PEMHOAIHPQJNIM-LEWJYISDSA-N -1 0 422.481 3.235 50 0 HGAARM CC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4cccs4)CC3)c2c1 ZINC000032095143 519734371 /nfs/dbraw/zinc/73/43/71/519734371.db2.gz LGSZVSYYZGKEPP-FQEVSTJZSA-N -1 0 412.515 3.131 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000044123808 522377896 /nfs/dbraw/zinc/37/78/96/522377896.db2.gz ARWIWKBRNYMFJM-AHRSYUTCSA-N -1 0 412.486 3.140 50 0 HGAARM COc1ccc(-c2nc(CC(=O)NCc3ccc(C(=O)[O-])cc3)cs2)cc1OC ZINC000032096379 523195860 /nfs/dbraw/zinc/19/58/60/523195860.db2.gz QWNIRGZUHMKOMR-UHFFFAOYSA-N -1 0 412.467 3.384 50 0 HGAARM Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000032833534 524172665 /nfs/dbraw/zinc/17/26/65/524172665.db2.gz LIYHXHIMAXQDES-UHFFFAOYSA-N -1 0 416.499 3.193 50 0 HGAARM C[C@H]1C[C@H](OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 ZINC000032895919 524937780 /nfs/dbraw/zinc/93/77/80/524937780.db2.gz CCMSOLIOPFVCLX-ZBEGNZNMSA-N -1 0 409.847 3.002 50 0 HGAARM C[C@@H]1C[C@@H](OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 ZINC000032895916 525284374 /nfs/dbraw/zinc/28/43/74/525284374.db2.gz CCMSOLIOPFVCLX-BDJLRTHQSA-N -1 0 409.847 3.002 50 0 HGAARM Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000032610394 526282496 /nfs/dbraw/zinc/28/24/96/526282496.db2.gz VXORVLAZXAUUGN-GJZGRUSLSA-N -1 0 405.401 3.420 50 0 HGAARM Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000032610396 526283726 /nfs/dbraw/zinc/28/37/26/526283726.db2.gz VXORVLAZXAUUGN-LSDHHAIUSA-N -1 0 405.401 3.420 50 0 HGAARM O=C(CC1(C(=O)[O-])CCCC1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000032739802 526327539 /nfs/dbraw/zinc/32/75/39/526327539.db2.gz RSUKLPXKOAQFJG-UHFFFAOYSA-N -1 0 424.453 3.319 50 0 HGAARM Cc1nn(C)c(C)c1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032455709 527647252 /nfs/dbraw/zinc/64/72/52/527647252.db2.gz CHRFMWXQIIQIDP-UHFFFAOYSA-N -1 0 404.517 3.080 50 0 HGAARM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000000755024 557076554 /nfs/dbraw/zinc/07/65/54/557076554.db2.gz ZWHPDVWPDRPVIL-UHFFFAOYSA-N -1 0 419.484 3.213 50 0 HGAARM CSc1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1C ZINC000001023948 557144403 /nfs/dbraw/zinc/14/44/03/557144403.db2.gz GNBQPPATOOYVRS-UHFFFAOYSA-N -1 0 420.360 3.375 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cn1 ZINC000001035146 557149958 /nfs/dbraw/zinc/14/99/58/557149958.db2.gz IHQSGEASKICNSI-UHFFFAOYSA-N -1 0 418.422 3.372 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)no1 ZINC000001054197 557161372 /nfs/dbraw/zinc/16/13/72/557161372.db2.gz GGHKPDJHPHDKCP-UHFFFAOYSA-N -1 0 416.415 3.157 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000001136302 557201399 /nfs/dbraw/zinc/20/13/99/557201399.db2.gz DFHQZWKTKBRZIU-UHFFFAOYSA-N -1 0 403.481 3.329 50 0 HGAARM COc1ccc(NC(=O)CSC2=NC(=O)C(C/C=C/c3ccccc3)C([O-])=N2)cc1 ZINC000001163252 557219383 /nfs/dbraw/zinc/21/93/83/557219383.db2.gz HGIXQTKSJFREKE-VMPITWQZSA-N -1 0 423.494 3.471 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)nc(C)n1 ZINC000001217383 557246551 /nfs/dbraw/zinc/24/65/51/557246551.db2.gz BYOKUDMWWYYMFE-UHFFFAOYSA-N -1 0 423.709 3.203 50 0 HGAARM CS(=O)(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000001220364 557248178 /nfs/dbraw/zinc/24/81/78/557248178.db2.gz KNIWWEKSNXYHKW-AWEZNQCLSA-N -1 0 408.273 3.351 50 0 HGAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 ZINC000001476141 557269785 /nfs/dbraw/zinc/26/97/85/557269785.db2.gz WFLIHXIKIXKKEG-UHFFFAOYSA-N -1 0 406.438 3.244 50 0 HGAARM CSCC[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000003004723 557440438 /nfs/dbraw/zinc/44/04/38/557440438.db2.gz YKWCWHMKDAUVDY-AABGDIPYSA-N -1 0 407.491 3.085 50 0 HGAARM CCSc1nnc(NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000003117150 557447777 /nfs/dbraw/zinc/44/77/77/557447777.db2.gz YOZXXQXDHCUWKV-JTQLQIEISA-N -1 0 404.439 3.399 50 0 HGAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)c1 ZINC000034764483 557461470 /nfs/dbraw/zinc/46/14/70/557461470.db2.gz CYEVLQUULUKRLW-UHFFFAOYSA-N -1 0 422.485 3.159 50 0 HGAARM CCCOc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034765235 557461926 /nfs/dbraw/zinc/46/19/26/557461926.db2.gz HUMYZJQOLVPLSD-UHFFFAOYSA-N -1 0 406.486 3.325 50 0 HGAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCC3CCC3)c(OC)c2)[n-]c1=O ZINC000034767289 557462401 /nfs/dbraw/zinc/46/24/01/557462401.db2.gz JJSUSVOTPRFKSM-CQSZACIVSA-N -1 0 414.506 3.279 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000003279590 557467176 /nfs/dbraw/zinc/46/71/76/557467176.db2.gz FVBHPTWWMGHESB-AWEZNQCLSA-N -1 0 413.282 3.449 50 0 HGAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000004678223 557580110 /nfs/dbraw/zinc/58/01/10/557580110.db2.gz PFOBSVIGDSSEMS-KPKJPENVSA-N -1 0 401.425 3.428 50 0 HGAARM COc1ccc(Cc2nc(S(=O)(=O)[O-])cc3cc(OC)c(OC)cc32)cc1OC ZINC000006140704 557690282 /nfs/dbraw/zinc/69/02/82/557690282.db2.gz PMOCLWZOCFUYNG-UHFFFAOYSA-N -1 0 419.455 3.107 50 0 HGAARM O=C(CSc1ccccn1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006244661 557695841 /nfs/dbraw/zinc/69/58/41/557695841.db2.gz CWSZOUAGPCOWLE-UHFFFAOYSA-N -1 0 406.514 3.070 50 0 HGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1C ZINC000002752817 557757792 /nfs/dbraw/zinc/75/77/92/557757792.db2.gz JJUFEXWJDLVBJI-UHFFFAOYSA-N -1 0 415.427 3.073 50 0 HGAARM O=C(CCCCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NC1CCCC1 ZINC000002974430 557775782 /nfs/dbraw/zinc/77/57/82/557775782.db2.gz FLJORDAKRWKBJB-UHFFFAOYSA-N -1 0 403.504 3.407 50 0 HGAARM CCOc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000011613979 558264556 /nfs/dbraw/zinc/26/45/56/558264556.db2.gz ZHZREOCHGPIVNB-UHFFFAOYSA-N -1 0 400.250 3.347 50 0 HGAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1=O ZINC000019881500 558301080 /nfs/dbraw/zinc/30/10/80/558301080.db2.gz JSSFAJRBEFSZNO-QGZVFWFLSA-N -1 0 411.483 3.194 50 0 HGAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)cc1 ZINC000071976241 558338907 /nfs/dbraw/zinc/33/89/07/558338907.db2.gz SOGGRIFCJYQHNP-UHFFFAOYSA-N -1 0 422.260 3.134 50 0 HGAARM CCc1[n-]n(Cc2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000004356095 558443615 /nfs/dbraw/zinc/44/36/15/558443615.db2.gz VCUUJVODXCJFEK-NDENLUEZSA-N -1 0 420.444 3.431 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Br ZINC000013394429 558531563 /nfs/dbraw/zinc/53/15/63/558531563.db2.gz GVYAIQGVYGZVGQ-AWEZNQCLSA-N -1 0 412.667 3.293 50 0 HGAARM COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000013510317 558535362 /nfs/dbraw/zinc/53/53/62/558535362.db2.gz VYONVCDGRWSIPX-SILNSSARSA-N -1 0 410.470 3.227 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(-c2ccccc2)on1 ZINC000027581215 558675748 /nfs/dbraw/zinc/67/57/48/558675748.db2.gz NAODWDKOGKOQEN-UHFFFAOYSA-N -1 0 421.438 3.185 50 0 HGAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1 ZINC000016127056 558773196 /nfs/dbraw/zinc/77/31/96/558773196.db2.gz ATVFIPMJQGIFLN-UHFFFAOYSA-N -1 0 422.500 3.052 50 0 HGAARM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000036293946 558798857 /nfs/dbraw/zinc/79/88/57/558798857.db2.gz NJVPJBMOTUQITQ-NRFANRHFSA-N -1 0 411.479 3.336 50 0 HGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017089855 558818404 /nfs/dbraw/zinc/81/84/04/558818404.db2.gz XPCIEODDRXWCBW-UONOGXRCSA-N -1 0 414.483 3.365 50 0 HGAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(C(=O)[O-])c1 ZINC000033007177 558827903 /nfs/dbraw/zinc/82/79/03/558827903.db2.gz DXDFBUWAKMCGBE-UHFFFAOYSA-N -1 0 419.503 3.380 50 0 HGAARM COc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000017945671 558828743 /nfs/dbraw/zinc/82/87/43/558828743.db2.gz RKXYWVYQPBXOBQ-UHFFFAOYSA-N -1 0 417.874 3.331 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000004593256 558831221 /nfs/dbraw/zinc/83/12/21/558831221.db2.gz NDJNLVLYOIVRCT-IBGZPJMESA-N -1 0 418.515 3.437 50 0 HGAARM CCn1c(C)nnc1SCCn1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000055195992 558875586 /nfs/dbraw/zinc/87/55/86/558875586.db2.gz JEHSPJIKIRRARW-UHFFFAOYSA-N -1 0 400.460 3.051 50 0 HGAARM Cc1nn(C)c(-n2cncn2)c1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000058250303 558915162 /nfs/dbraw/zinc/91/51/62/558915162.db2.gz SICAMLOTSHGHII-UHFFFAOYSA-N -1 0 402.524 3.024 50 0 HGAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc21 ZINC000021756827 558948332 /nfs/dbraw/zinc/94/83/32/558948332.db2.gz AQYDOMIAKFQCFG-UHFFFAOYSA-N -1 0 418.515 3.038 50 0 HGAARM C[C@@H](Oc1ccccc1)C(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097136873 558996419 /nfs/dbraw/zinc/99/64/19/558996419.db2.gz NIZLSMRPUAZPOQ-MRXNPFEDSA-N -1 0 414.465 3.042 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1 ZINC000023125754 559013811 /nfs/dbraw/zinc/01/38/11/559013811.db2.gz SQHSTPRZBMRPDB-SJORKVTESA-N -1 0 400.822 3.163 50 0 HGAARM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732604 559033276 /nfs/dbraw/zinc/03/32/76/559033276.db2.gz SBGZCDQOLYHMEE-UHFFFAOYSA-N -1 0 402.497 3.488 50 0 HGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000004742723 559044682 /nfs/dbraw/zinc/04/46/82/559044682.db2.gz SVQBIMHDXXFSJK-UHFFFAOYSA-N -1 0 415.515 3.373 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(F)cc3)cc2)n1 ZINC000033332312 559063097 /nfs/dbraw/zinc/06/30/97/559063097.db2.gz JMYLQFCAOCMVFA-WCIBSUBMSA-N -1 0 412.446 3.377 50 0 HGAARM CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccccc4Cl)C3=C2[O-])cc1 ZINC000103132609 559154838 /nfs/dbraw/zinc/15/48/38/559154838.db2.gz BXUMKEUQRSWZDZ-IEBWSBKVSA-N -1 0 411.845 3.062 50 0 HGAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccco4)c(Cl)c1=O)(C3)C2 ZINC000004928432 559208366 /nfs/dbraw/zinc/20/83/66/559208366.db2.gz CWSUGFSITARRHX-BRRVFRNMSA-N -1 0 403.866 3.482 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000005024964 559229988 /nfs/dbraw/zinc/22/99/88/559229988.db2.gz RVZVQVFTMWXATN-LJQANCHMSA-N -1 0 412.442 3.255 50 0 HGAARM CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238937273 559271672 /nfs/dbraw/zinc/27/16/72/559271672.db2.gz UVQROKPDAKXSPK-KOMQPUFPSA-N -1 0 401.459 3.050 50 0 biogenic HGAARM Cc1c(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002104380 560559028 /nfs/dbraw/zinc/55/90/28/560559028.db2.gz GMCPAQUBAJWWSS-KDOFPFPSSA-N -1 0 415.486 3.363 50 0 biogenic HGAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000526052478 560639600 /nfs/dbraw/zinc/63/96/00/560639600.db2.gz IMMINJGPIKVWQB-ODXCJYRJSA-N -1 0 415.486 3.363 50 0 HGAARM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000017287048 560705784 /nfs/dbraw/zinc/70/57/84/560705784.db2.gz SDZPLSYBQUVRQJ-UHFFFAOYSA-N -1 0 412.508 3.119 50 0 HGAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000009233337 560758016 /nfs/dbraw/zinc/75/80/16/560758016.db2.gz YNNANZHFGQXNSU-NSHDSACASA-N -1 0 423.252 3.448 50 0 HGAARM Cc1cccc(C)c1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101170567 560787924 /nfs/dbraw/zinc/78/79/24/560787924.db2.gz PRWPHYKMELVVDO-LEWJYISDSA-N -1 0 419.485 3.359 50 0 HGAARM COc1ccc(-n2c(=O)c(C(=O)NCc3cccc(C)c3)c([O-])c3cccnc32)cc1 ZINC000101723243 560799167 /nfs/dbraw/zinc/79/91/67/560799167.db2.gz GDPWWNPDYYMPED-UHFFFAOYSA-N -1 0 415.449 3.338 50 0 HGAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000101765789 560799507 /nfs/dbraw/zinc/79/95/07/560799507.db2.gz NEHBSKNGQSNHOQ-HNNXBMFYSA-N -1 0 400.504 3.360 50 0 HGAARM COc1ccccc1[C@@H]1CC(c2c([O-])n(C)c(=O)n(C)c2=O)=Nc2ccccc2S1 ZINC000101766355 560799738 /nfs/dbraw/zinc/79/97/38/560799738.db2.gz YGVSJCXINWEJQC-SFHVURJKSA-N -1 0 423.494 3.156 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2)cc1OC ZINC000101836802 560803724 /nfs/dbraw/zinc/80/37/24/560803724.db2.gz WBSVEXKBVYHYHC-QGZVFWFLSA-N -1 0 420.425 3.136 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)cc1 ZINC000102820670 560829573 /nfs/dbraw/zinc/82/95/73/560829573.db2.gz ZOYDOHVKDYCSRG-SFHVURJKSA-N -1 0 408.389 3.267 50 0 HGAARM O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000051316709 560856567 /nfs/dbraw/zinc/85/65/67/560856567.db2.gz ZENSNPBTMVTFIB-UHFFFAOYSA-N -1 0 411.874 3.493 50 0 HGAARM CNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccccc1Br ZINC000045962063 568422831 /nfs/dbraw/zinc/42/28/31/568422831.db2.gz LLWXUIKCJZHQRK-UHFFFAOYSA-N -1 0 409.261 3.398 50 0 HGAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3ccc(N4CCOCC4)cc3)cs2)n1 ZINC000049029514 568445611 /nfs/dbraw/zinc/44/56/11/568445611.db2.gz DBIAUOWEELUPPC-UHFFFAOYSA-N -1 0 424.530 3.311 50 0 HGAARM Cc1nc(NC(=O)c2csc([N-]c3nc(C)cc(C)n3)n2)sc1C(=O)N(C)C ZINC000049032315 568445892 /nfs/dbraw/zinc/44/58/92/568445892.db2.gz YLCNCFDXTYECHZ-UHFFFAOYSA-N -1 0 417.520 3.013 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000710126 568465040 /nfs/dbraw/zinc/46/50/40/568465040.db2.gz ATLWRDUNQUAHDT-GOSISDBHSA-N -1 0 412.442 3.255 50 0 HGAARM COc1cc(Br)c(-c2[nH]nc(C(=O)[O-])c2Br)cc1OC ZINC000216629589 568466092 /nfs/dbraw/zinc/46/60/92/568466092.db2.gz JWYURWPASZYZLZ-UHFFFAOYSA-N -1 0 406.030 3.317 50 0 HGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)s1 ZINC000033713958 568518133 /nfs/dbraw/zinc/51/81/33/568518133.db2.gz HMRQCKDZITZUIW-UHFFFAOYSA-N -1 0 420.965 3.377 50 0 HGAARM COc1ccccc1C[C@H](CNC(=O)c1cnn(C(C)C)c1C(F)(F)F)C(=O)[O-] ZINC000095464095 568622334 /nfs/dbraw/zinc/62/23/34/568622334.db2.gz CESBAQCIMRXWFX-CYBMUJFWSA-N -1 0 413.396 3.165 50 0 HGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3OC)C2)c1 ZINC000095532116 568635432 /nfs/dbraw/zinc/63/54/32/568635432.db2.gz KXKQNGFQNBVSEL-IBGZPJMESA-N -1 0 412.442 3.255 50 0 HGAARM CCOC(=O)[C@]([N-]c1nnc(C)s1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000020609149 568636727 /nfs/dbraw/zinc/63/67/27/568636727.db2.gz RNDNUBYUZFFBGY-CQSZACIVSA-N -1 0 422.816 3.164 50 0 HGAARM Cc1ccc(-n2c(=O)c(C)c([O-])nc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000020807590 568644070 /nfs/dbraw/zinc/64/40/70/568644070.db2.gz FLICKVZEJRDQQZ-UHFFFAOYSA-N -1 0 407.495 3.236 50 0 HGAARM COc1cc(CC(=O)[O-])c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000095929234 568660310 /nfs/dbraw/zinc/66/03/10/568660310.db2.gz ZEDVQCIUCVXQSI-UHFFFAOYSA-N -1 0 419.377 3.151 50 0 HGAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c(C)c1CC(=O)[O-] ZINC000096007265 568683030 /nfs/dbraw/zinc/68/30/30/568683030.db2.gz IZLQZKUVHPWGRU-UHFFFAOYSA-N -1 0 413.499 3.285 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000000849907 568711046 /nfs/dbraw/zinc/71/10/46/568711046.db2.gz KFEXLDHFIBTCOI-CCQQUTMYSA-N -1 0 413.404 3.461 50 0 HGAARM CSc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000096361078 568738953 /nfs/dbraw/zinc/73/89/53/568738953.db2.gz UPVXIRNLHBNZPS-UHFFFAOYSA-N -1 0 402.501 3.493 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000096361174 568739109 /nfs/dbraw/zinc/73/91/09/568739109.db2.gz WANHUBSPXWKOHA-UHFFFAOYSA-N -1 0 422.413 3.140 50 0 HGAARM C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000015043767 568748360 /nfs/dbraw/zinc/74/83/60/568748360.db2.gz YHUZNBCTZHINTR-HOTGVXAUSA-N -1 0 413.493 3.448 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261090510 568819132 /nfs/dbraw/zinc/81/91/32/568819132.db2.gz DKPMWHFRUGMUKF-PNLDPOQCSA-N -1 0 408.579 3.449 50 0 HGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2nc(C)c(C(=O)OCC)s2)c1=O ZINC000227163082 568828546 /nfs/dbraw/zinc/82/85/46/568828546.db2.gz MZMQDRJISZKHFU-UHFFFAOYSA-N -1 0 415.471 3.311 50 0 HGAARM COC(=O)C[C@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccc(Br)cc1C ZINC000012464347 568837816 /nfs/dbraw/zinc/83/78/16/568837816.db2.gz JVWDQUNRXNWURP-INIZCTEOSA-N -1 0 424.291 3.433 50 0 HGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1I ZINC000012526148 568843016 /nfs/dbraw/zinc/84/30/16/568843016.db2.gz PLZNDAYYQYQCTJ-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4CCCC[C@H]43)C2=O)cc1 ZINC000230156783 568853094 /nfs/dbraw/zinc/85/30/94/568853094.db2.gz JYLLIHUHWDLDPD-FDDCHVKYSA-N -1 0 423.444 3.019 50 0 HGAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000012557019 568856128 /nfs/dbraw/zinc/85/61/28/568856128.db2.gz OEYDDFUASBFLQJ-UHFFFAOYSA-N -1 0 419.377 3.310 50 0 HGAARM O=C(CCOc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003306504 568877512 /nfs/dbraw/zinc/87/75/12/568877512.db2.gz ZHDKKCXFVFOGCR-UHFFFAOYSA-N -1 0 421.475 3.491 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000003318101 568879783 /nfs/dbraw/zinc/87/97/83/568879783.db2.gz SRNJTGVRKGQACW-UHFFFAOYSA-N -1 0 424.906 3.012 50 0 HGAARM Cn1c([O-])c(Cc2cn(Cc3cnc(Cl)s3)c3ccccc23)c(=O)n(C)c1=O ZINC000004053857 568880866 /nfs/dbraw/zinc/88/08/66/568880866.db2.gz LQIOQJCCMQZSHW-UHFFFAOYSA-N -1 0 416.890 3.009 50 0 HGAARM CCc1c([N-]S(=O)(=O)c2cnn(CC)c2)n[nH]c1-c1ccc(Br)cc1 ZINC000083817681 568917564 /nfs/dbraw/zinc/91/75/64/568917564.db2.gz ZZQXCLOTNLJVQE-UHFFFAOYSA-N -1 0 424.324 3.419 50 0 HGAARM Cc1ccc(-c2nc(C)c(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)s2)o1 ZINC000031227842 568919774 /nfs/dbraw/zinc/91/97/74/568919774.db2.gz ZJIDIILNLMOONL-HXUWFJFHSA-N -1 0 410.455 3.132 50 0 HGAARM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC[C@H]3CCCO3)ccc2N1 ZINC000084490241 568949545 /nfs/dbraw/zinc/94/95/45/568949545.db2.gz SPDXWXHBZKWTDZ-CQSZACIVSA-N -1 0 422.890 3.193 50 0 HGAARM COc1ccc(C(=O)NCCc2ccco2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000008033518 568969451 /nfs/dbraw/zinc/96/94/51/568969451.db2.gz OWLGHYKGBBEESI-UHFFFAOYSA-N -1 0 414.483 3.370 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(OC)c1 ZINC000015730284 568980998 /nfs/dbraw/zinc/98/09/98/568980998.db2.gz WFEWIXWHZRWFFT-LLVKDONJSA-N -1 0 408.501 3.327 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000015730723 568981338 /nfs/dbraw/zinc/98/13/38/568981338.db2.gz MMNAPYZSZUCCSG-LLVKDONJSA-N -1 0 408.501 3.185 50 0 HGAARM COCCn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000008217120 568983113 /nfs/dbraw/zinc/98/31/13/568983113.db2.gz DCHLECIKOMSKSW-UHFFFAOYSA-N -1 0 407.401 3.114 50 0 HGAARM CCOc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000015826865 569011580 /nfs/dbraw/zinc/01/15/80/569011580.db2.gz IOWCRBSWHLFONZ-CQSZACIVSA-N -1 0 401.488 3.462 50 0 HGAARM COc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OC ZINC000015826834 569011590 /nfs/dbraw/zinc/01/15/90/569011590.db2.gz RATHJISALLORKP-ZDUSSCGKSA-N -1 0 417.487 3.081 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1 ZINC000015861944 569015671 /nfs/dbraw/zinc/01/56/71/569015671.db2.gz UUWJECMXWNKTEF-UHFFFAOYSA-N -1 0 416.278 3.276 50 0 HGAARM Cn1nccc1C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862122 569015813 /nfs/dbraw/zinc/01/58/13/569015813.db2.gz WDVGHDFIULIHFG-UHFFFAOYSA-N -1 0 413.484 3.083 50 0 HGAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(=O)n12 ZINC000015936852 569023236 /nfs/dbraw/zinc/02/32/36/569023236.db2.gz LDUQZZABQRBPPN-UHFFFAOYSA-N -1 0 419.406 3.072 50 0 HGAARM CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000006186930 569029462 /nfs/dbraw/zinc/02/94/62/569029462.db2.gz SZHRGZHLPZWVGN-CZIZESTLSA-N -1 0 408.502 3.375 50 0 HGAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)[n-]c1=O ZINC000035377935 569034439 /nfs/dbraw/zinc/03/44/39/569034439.db2.gz FHDCHZNXZFPEHQ-UHFFFAOYSA-N -1 0 409.471 3.242 50 0 HGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)cc1 ZINC000035539131 569043594 /nfs/dbraw/zinc/04/35/94/569043594.db2.gz BOUDXIKBMNZINC-UHFFFAOYSA-N -1 0 407.473 3.392 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000006359088 569045274 /nfs/dbraw/zinc/04/52/74/569045274.db2.gz YJFDFURMBSVLEB-JLTOFOAXSA-N -1 0 409.438 3.373 50 0 HGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(-c2cnc3n2CCC3)c1 ZINC000090655310 569047266 /nfs/dbraw/zinc/04/72/66/569047266.db2.gz VDWSMYIBMLXBBC-UHFFFAOYSA-N -1 0 403.485 3.145 50 0 HGAARM COc1cccc(-c2nc(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cs2)c1OC ZINC000238950556 569053907 /nfs/dbraw/zinc/05/39/07/569053907.db2.gz YRDJRRYYYGBWBQ-HDJSIYSDSA-N -1 0 418.515 3.377 50 0 HGAARM CSCC[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624055 569075446 /nfs/dbraw/zinc/07/54/46/569075446.db2.gz XMKPUMJOGOYBAJ-AWEZNQCLSA-N -1 0 417.483 3.329 50 0 biogenic HGAARM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)n1 ZINC000064801792 569097832 /nfs/dbraw/zinc/09/78/32/569097832.db2.gz KCGNWCGPYJHSOZ-UHFFFAOYSA-N -1 0 402.480 3.366 50 0 HGAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccs2)C1 ZINC000064820554 569102687 /nfs/dbraw/zinc/10/26/87/569102687.db2.gz QJZUTJDSSRBUCY-CQSZACIVSA-N -1 0 402.472 3.478 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc(OC)c1 ZINC000064920173 569121050 /nfs/dbraw/zinc/12/10/50/569121050.db2.gz CKZXTGRZNDZNCV-UHFFFAOYSA-N -1 0 407.473 3.494 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc(OC)c1 ZINC000064979416 569140316 /nfs/dbraw/zinc/14/03/16/569140316.db2.gz QDBWZJGTMPNENQ-UHFFFAOYSA-N -1 0 404.444 3.477 50 0 HGAARM C[C@H](C(=O)[O-])N1C(=O)/C(=C2/c3ccccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000001810477 569147675 /nfs/dbraw/zinc/14/76/75/569147675.db2.gz YWCQOARNKAIEBI-QIVXWBPLSA-N -1 0 424.503 3.278 50 0 HGAARM CCN1CC[NH+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1 ZINC000036360538 569151839 /nfs/dbraw/zinc/15/18/39/569151839.db2.gz VQTACHHYRQJNRT-JOCHJYFZSA-N -1 0 421.497 3.151 50 0 HGAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)NCc2ccc(Cl)cc2)c3[O-])c1 ZINC000065249926 569205919 /nfs/dbraw/zinc/20/59/19/569205919.db2.gz UADLDSLIZPMHHE-UHFFFAOYSA-N -1 0 408.845 3.311 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)cc1Cl ZINC000065254802 569207363 /nfs/dbraw/zinc/20/73/63/569207363.db2.gz WVHDLDQQVVDBOF-UHFFFAOYSA-N -1 0 411.911 3.063 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000253530416 569251039 /nfs/dbraw/zinc/25/10/39/569251039.db2.gz BHQCQFFYRZLCQQ-QJEXOXMNSA-N -1 0 408.579 3.449 50 0 biogenic HGAARM CCOC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000089978084 569270630 /nfs/dbraw/zinc/27/06/30/569270630.db2.gz OCOIDZOKCOXWGA-UHFFFAOYSA-N -1 0 406.291 3.289 50 0 HGAARM CCC[C@@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000002094546 569280875 /nfs/dbraw/zinc/28/08/75/569280875.db2.gz UEOYYHPYQFKHHO-HXUWFJFHSA-N -1 0 423.465 3.441 50 0 biogenic HGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002098499 569281161 /nfs/dbraw/zinc/28/11/61/569281161.db2.gz JYOHAGCELNGXAC-KRWDZBQOSA-N -1 0 403.475 3.438 50 0 biogenic HGAARM Cc1c(O[C@H](C)C(=O)NCCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002098920 569281173 /nfs/dbraw/zinc/28/11/73/569281173.db2.gz VHXBSCKUGFAZDO-MRXNPFEDSA-N -1 0 423.465 3.359 50 0 biogenic HGAARM CC(=O)Nc1ccc(CC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000236596031 569281869 /nfs/dbraw/zinc/28/18/69/569281869.db2.gz KOBMNONZTZVWDS-NRFANRHFSA-N -1 0 404.466 3.400 50 0 HGAARM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002118259 569284751 /nfs/dbraw/zinc/28/47/51/569284751.db2.gz ZIJZMHVMJCIGHL-DYVFJYSZSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002118262 569284821 /nfs/dbraw/zinc/28/48/21/569284821.db2.gz ZIJZMHVMJCIGHL-GUYCJALGSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM Cc1c(OCC(=O)N2CCC(C(=O)[O-])CC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002119758 569284865 /nfs/dbraw/zinc/28/48/65/569284865.db2.gz JQTFJWPRSLIBRZ-UHFFFAOYSA-N -1 0 421.449 3.470 50 0 biogenic HGAARM O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000002195408 569294549 /nfs/dbraw/zinc/29/45/49/569294549.db2.gz YVAGVPJEVYRFLG-QGZVFWFLSA-N -1 0 411.767 3.285 50 0 HGAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)NC(C)(C)C)ccc1F ZINC000007680433 569300307 /nfs/dbraw/zinc/30/03/07/569300307.db2.gz QGNWBZUIXQFJSN-UHFFFAOYSA-N -1 0 422.478 3.006 50 0 HGAARM CCOC(=O)[C@@]([N-]c1ccccc1F)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000002271844 569327038 /nfs/dbraw/zinc/32/70/38/569327038.db2.gz TYISYJSVBIMFDT-GOSISDBHSA-N -1 0 414.355 3.498 50 0 HGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1 ZINC000008861369 569390705 /nfs/dbraw/zinc/39/07/05/569390705.db2.gz NDGQCXPEQNYEOL-HJDVLLJCSA-N -1 0 422.412 3.002 50 0 HGAARM COc1cc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)cc(OC)c1 ZINC000009463983 569392881 /nfs/dbraw/zinc/39/28/81/569392881.db2.gz HOLCWEREVCCQBJ-WJDWOHSUSA-N -1 0 423.512 3.175 50 0 HGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1)OC(C)(C)CC3 ZINC000012892401 569404555 /nfs/dbraw/zinc/40/45/55/569404555.db2.gz UATUAMLHWHSNGX-HNNXBMFYSA-N -1 0 413.470 3.071 50 0 biogenic HGAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCCO2 ZINC000013090207 569408831 /nfs/dbraw/zinc/40/88/31/569408831.db2.gz SGCRLCRAUVXRST-UHFFFAOYSA-N -1 0 404.227 3.264 50 0 HGAARM COCCNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013349127 569411057 /nfs/dbraw/zinc/41/10/57/569411057.db2.gz SRBAPDSALRRXJM-UHFFFAOYSA-N -1 0 420.516 3.173 50 0 HGAARM COCCCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361386 569411846 /nfs/dbraw/zinc/41/18/46/569411846.db2.gz JKMXQNHNRYKNIW-UHFFFAOYSA-N -1 0 420.516 3.255 50 0 HGAARM O=S(=O)([N-]c1cc(-c2ccco2)no1)c1cc(Br)cc2c1OCC2 ZINC000328594158 569415599 /nfs/dbraw/zinc/41/55/99/569415599.db2.gz VRFVDAWCNDJWJY-UHFFFAOYSA-N -1 0 411.233 3.433 50 0 HGAARM O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)Nc1ccc(F)cc1 ZINC000009106514 571221863 /nfs/dbraw/zinc/22/18/63/571221863.db2.gz SAHKQUSLUAKZFX-UHFFFAOYSA-N -1 0 413.409 3.094 50 0 HGAARM Cc1[n-]n2c(nc(SCC(=O)Nc3cccc(F)c3)nc2=O)c1-c1ccccc1 ZINC000009107448 571221919 /nfs/dbraw/zinc/22/19/19/571221919.db2.gz MZIJTFLHIVULAJ-UHFFFAOYSA-N -1 0 409.446 3.263 50 0 HGAARM COc1ccc(Cl)cc1NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000009283154 571244886 /nfs/dbraw/zinc/24/48/86/571244886.db2.gz MZDDWALFUKWJGS-UHFFFAOYSA-N -1 0 409.895 3.457 50 0 HGAARM CCOc1ccccc1NC(=O)CSc1[n-]c2ccccc2c(=O)c1C(=O)OC ZINC000009300276 571245990 /nfs/dbraw/zinc/24/59/90/571245990.db2.gz YFXGWPDMVDSQMD-UHFFFAOYSA-N -1 0 412.467 3.444 50 0 HGAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1O ZINC000009429391 571258106 /nfs/dbraw/zinc/25/81/06/571258106.db2.gz OQIGLCYPGOXTRD-GUSDSWBTSA-N -1 0 424.434 3.322 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000009546396 571267629 /nfs/dbraw/zinc/26/76/29/571267629.db2.gz DCXMEAOHURJZBJ-MRXNPFEDSA-N -1 0 419.869 3.498 50 0 HGAARM COc1ccc(OCc2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)cc1 ZINC000009578617 571270024 /nfs/dbraw/zinc/27/00/24/571270024.db2.gz MVCXCDOTENGGBT-AWEZNQCLSA-N -1 0 416.484 3.129 50 0 HGAARM CC(=O)c1ccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)cc1 ZINC000009762013 571284601 /nfs/dbraw/zinc/28/46/01/571284601.db2.gz OROOYLIGOFJHPO-UHFFFAOYSA-N -1 0 423.903 3.385 50 0 HGAARM COc1ccc(C)cc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828729 571286947 /nfs/dbraw/zinc/28/69/47/571286947.db2.gz HWLKAASZHGYGDO-UHFFFAOYSA-N -1 0 417.512 3.442 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCC3CCCCC3)cs2)cc1 ZINC000009828673 571287071 /nfs/dbraw/zinc/28/70/71/571287071.db2.gz WLHSTAWQBMGGEJ-UHFFFAOYSA-N -1 0 423.560 3.192 50 0 HGAARM O=C([O-])CC[C@@H](CN1CCOCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000140157168 571315855 /nfs/dbraw/zinc/31/58/55/571315855.db2.gz VJXJEVATZYGVQW-KRWDZBQOSA-N -1 0 424.497 3.091 50 0 HGAARM CCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3)[C@@H](C)C2)c(C(=O)[O-])c1 ZINC000033253537 132779978 /nfs/dbraw/zinc/77/99/78/132779978.db2.gz DTXLKMLBWATREQ-INIZCTEOSA-N -1 0 417.531 3.170 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000032946729 520961303 /nfs/dbraw/zinc/96/13/03/520961303.db2.gz UPPANFZCPJDSMI-UHFFFAOYSA-N -1 0 415.421 3.055 50 0 HGAARM CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000040485108 521521757 /nfs/dbraw/zinc/52/17/57/521521757.db2.gz MKCMQWHCBWJLHV-IBGZPJMESA-N -1 0 419.441 3.303 50 0 HGAARM CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)c3ccccc3C(=O)[O-])cc2c1C ZINC000019943937 521607819 /nfs/dbraw/zinc/60/78/19/521607819.db2.gz PLKURHPHBMHONP-UHFFFAOYSA-N -1 0 417.439 3.441 50 0 HGAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007054169 522222663 /nfs/dbraw/zinc/22/26/63/522222663.db2.gz WTHKZCMOBSYZMJ-CQSZACIVSA-N -1 0 404.488 3.177 50 0 HGAARM COc1ccc(OC)c([C@H]2c3nc[nH]c3CCN2C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000040310305 524921388 /nfs/dbraw/zinc/92/13/88/524921388.db2.gz NFGXGGZEZBHTBW-FQEVSTJZSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM COc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC000042783064 524989930 /nfs/dbraw/zinc/98/99/30/524989930.db2.gz LGYXPIFCCHJFHZ-AAEUAGOBSA-N -1 0 416.268 3.299 50 0 HGAARM CCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000004869545 534960161 /nfs/dbraw/zinc/96/01/61/534960161.db2.gz LTUUSLDSFNIQNE-UHFFFAOYSA-N -1 0 417.481 3.088 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)no1 ZINC000000696098 557061814 /nfs/dbraw/zinc/06/18/14/557061814.db2.gz JLPOLSFLBSDEOH-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4ccccc4c(=O)o3)c1)C2=O ZINC000000716507 557068037 /nfs/dbraw/zinc/06/80/37/557068037.db2.gz JLHJEOLPTPOJQA-UHFFFAOYSA-N -1 0 412.357 3.354 50 0 HGAARM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)CC1 ZINC000022626243 557081300 /nfs/dbraw/zinc/08/13/00/557081300.db2.gz QUGMFKLALZNCCV-MRXNPFEDSA-N -1 0 418.494 3.308 50 0 HGAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627605 557113617 /nfs/dbraw/zinc/11/36/17/557113617.db2.gz WUBUQECRZWESAL-CQSZACIVSA-N -1 0 423.336 3.113 50 0 HGAARM CSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000001169074 557222775 /nfs/dbraw/zinc/22/27/75/557222775.db2.gz XZIYGIHBIYCJCD-SFHVURJKSA-N -1 0 408.439 3.403 50 0 HGAARM CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000001248454 557251523 /nfs/dbraw/zinc/25/15/23/557251523.db2.gz QNHAAQLRLRPPBH-MRXNPFEDSA-N -1 0 414.439 3.195 50 0 HGAARM O=C1O[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)c2ccccc21 ZINC000001408077 557259059 /nfs/dbraw/zinc/25/90/59/557259059.db2.gz KJRYWXJYNHHNBT-QGZVFWFLSA-N -1 0 416.846 3.212 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000001446328 557266332 /nfs/dbraw/zinc/26/63/32/557266332.db2.gz ZFLJYPCTGLQGNP-STQMWFEESA-N -1 0 403.328 3.349 50 0 HGAARM CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)CC(=O)[O-] ZINC000002562453 557356520 /nfs/dbraw/zinc/35/65/20/557356520.db2.gz GTGKYYIFCBBTFH-PMACEKPBSA-N -1 0 415.511 3.482 50 0 HGAARM COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000002841864 557401378 /nfs/dbraw/zinc/40/13/78/557401378.db2.gz DOUGLWLPVBRWPS-ZWKOTPCHSA-N -1 0 408.454 3.482 50 0 HGAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)c1 ZINC000034765115 557461911 /nfs/dbraw/zinc/46/19/11/557461911.db2.gz BDMDTTQVPVLQGV-OAHLLOKOSA-N -1 0 407.474 3.066 50 0 HGAARM O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O)NCc1ccc(F)cc1 ZINC000034765501 557461946 /nfs/dbraw/zinc/46/19/46/557461946.db2.gz GINQJJKZKTYODS-UHFFFAOYSA-N -1 0 422.460 3.421 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000003279593 557467108 /nfs/dbraw/zinc/46/71/08/557467108.db2.gz FVBHPTWWMGHESB-CQSZACIVSA-N -1 0 413.282 3.449 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000004133980 557518346 /nfs/dbraw/zinc/51/83/46/557518346.db2.gz NYSTXURAOWURQL-OALUTQOASA-N -1 0 407.422 3.332 50 0 HGAARM CCOC(=O)c1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651250 557575756 /nfs/dbraw/zinc/57/57/56/557575756.db2.gz LZRQANCBNIXHPF-ZWKOTPCHSA-N -1 0 417.458 3.426 50 0 HGAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000004675166 557579859 /nfs/dbraw/zinc/57/98/59/557579859.db2.gz RDLQNEYHFDLVPH-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002550685 557729216 /nfs/dbraw/zinc/72/92/16/557729216.db2.gz QYTZXQYIXFMOCW-ZWKOTPCHSA-N -1 0 408.520 3.081 50 0 HGAARM CCN(CC)C(=O)c1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000002767191 557759979 /nfs/dbraw/zinc/75/99/79/557759979.db2.gz HRCJAIVIUFVPCU-STQMWFEESA-N -1 0 424.519 3.155 50 0 HGAARM COc1cccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)c1OC ZINC000008952527 557816154 /nfs/dbraw/zinc/81/61/54/557816154.db2.gz ILHBMHYHVSHZRJ-AWEZNQCLSA-N -1 0 421.379 3.201 50 0 HGAARM CCOc1ccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)cc1 ZINC000019814947 558287163 /nfs/dbraw/zinc/28/71/63/558287163.db2.gz AVEPJWGGQLIDMJ-UHFFFAOYSA-N -1 0 411.483 3.196 50 0 HGAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020292705 558354166 /nfs/dbraw/zinc/35/41/66/558354166.db2.gz AQFXABMYTOSWGD-VXPUYCOJSA-N -1 0 423.469 3.049 50 0 HGAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)n1 ZINC000020614915 558392046 /nfs/dbraw/zinc/39/20/46/558392046.db2.gz DBWUBCSAJQTIBG-UHFFFAOYSA-N -1 0 413.278 3.318 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(-c2ccccc2)on1 ZINC000013236993 558527676 /nfs/dbraw/zinc/52/76/76/558527676.db2.gz MWFYZXDQGIRVPC-LJQANCHMSA-N -1 0 404.426 3.318 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000013414480 558532146 /nfs/dbraw/zinc/53/21/46/558532146.db2.gz PGLNDOHAZKLBDP-KRWDZBQOSA-N -1 0 422.466 3.122 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000013469674 558533698 /nfs/dbraw/zinc/53/36/98/558533698.db2.gz NHWSVAGUASKVBH-HOTGVXAUSA-N -1 0 418.446 3.232 50 0 HGAARM COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000013545811 558537825 /nfs/dbraw/zinc/53/78/25/558537825.db2.gz GSFXSFLLWNKGBG-HEHGZKQESA-N -1 0 416.446 3.026 50 0 HGAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000013626302 558551286 /nfs/dbraw/zinc/55/12/86/558551286.db2.gz JXUYGVUCRYINGY-AWEZNQCLSA-N -1 0 404.451 3.131 50 0 HGAARM C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000072191514 558563055 /nfs/dbraw/zinc/56/30/55/558563055.db2.gz BCCGEHZWYPVMJB-CYBMUJFWSA-N -1 0 412.471 3.384 50 0 HGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000024435614 558597340 /nfs/dbraw/zinc/59/73/40/558597340.db2.gz QRGSEOZXDSPBPT-HOTGVXAUSA-N -1 0 418.515 3.136 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)Nc2cccc3ccccc32)cc1 ZINC000004497830 558611867 /nfs/dbraw/zinc/61/18/67/558611867.db2.gz HHOBMAWCYOMWGV-UHFFFAOYSA-N -1 0 407.455 3.319 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccncc2)c1 ZINC000014094128 558619280 /nfs/dbraw/zinc/61/92/80/558619280.db2.gz PGYJVHUWUAMIIW-OAHLLOKOSA-N -1 0 411.483 3.382 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ccccc3F)c2C)c1 ZINC000025475598 558642097 /nfs/dbraw/zinc/64/20/97/558642097.db2.gz RCLDMWUCYDLNEM-UHFFFAOYSA-N -1 0 403.435 3.071 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nncn2C)cc1 ZINC000014246713 558647801 /nfs/dbraw/zinc/64/78/01/558647801.db2.gz DEBAEJNOIRYYSI-UHFFFAOYSA-N -1 0 410.908 3.429 50 0 HGAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1OC ZINC000026541253 558663000 /nfs/dbraw/zinc/66/30/00/558663000.db2.gz TYOQLDFOECXJAI-UHFFFAOYSA-N -1 0 418.450 3.306 50 0 HGAARM COc1ccc(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000030513296 558731274 /nfs/dbraw/zinc/73/12/74/558731274.db2.gz KLAJYZHINDXITF-UHFFFAOYSA-N -1 0 416.524 3.416 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000030604566 558734049 /nfs/dbraw/zinc/73/40/49/558734049.db2.gz YEWAUBBWCKMZTE-UHFFFAOYSA-N -1 0 412.471 3.349 50 0 HGAARM CCc1ccc(O)c([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1 ZINC000072307285 558767201 /nfs/dbraw/zinc/76/72/01/558767201.db2.gz WNDGUCAZDGESOM-UHFFFAOYSA-N -1 0 412.533 3.052 50 0 HGAARM COc1c(Br)cc2c(c(C(=O)[O-])c(CN(C(C)=O)C(C)C)n2C)c1O ZINC000022147367 558779291 /nfs/dbraw/zinc/77/92/91/558779291.db2.gz MWSNTSUCMJKFBW-UHFFFAOYSA-N -1 0 413.268 3.110 50 0 HGAARM CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Cl)c([O-])c(Br)c1 ZINC000016682516 558799506 /nfs/dbraw/zinc/79/95/06/558799506.db2.gz COGMGUOOBZKMNM-LLVKDONJSA-N -1 0 405.701 3.164 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)[nH]n2)cc1 ZINC000032984966 558805412 /nfs/dbraw/zinc/80/54/12/558805412.db2.gz KMEZZKFIUYMBEI-UHFFFAOYSA-N -1 0 414.487 3.478 50 0 HGAARM C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000017082058 558814005 /nfs/dbraw/zinc/81/40/05/558814005.db2.gz ALJZFJJSEDYGNM-CYBMUJFWSA-N -1 0 400.547 3.112 50 0 HGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)NCc1ccco1 ZINC000017082413 558814541 /nfs/dbraw/zinc/81/45/41/558814541.db2.gz AHWMFRQBBAOHRQ-TUHYSUIHSA-N -1 0 402.472 3.347 50 0 HGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017088458 558817154 /nfs/dbraw/zinc/81/71/54/558817154.db2.gz REZKBKSKZSIOGA-PCHAPFSGSA-N -1 0 410.436 3.491 50 0 HGAARM COCc1c(Br)cccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000071820801 558825382 /nfs/dbraw/zinc/82/53/82/558825382.db2.gz YRTIZYVLSGWLCV-UHFFFAOYSA-N -1 0 400.250 3.095 50 0 HGAARM CC(=O)c1c(=O)cc(C)oc1Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004708855 558914112 /nfs/dbraw/zinc/91/41/12/558914112.db2.gz DZACHVUHRNGQGG-UHFFFAOYSA-N -1 0 405.457 3.152 50 0 HGAARM O=C([O-])c1ccc(CNC(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)cc1 ZINC000061720128 558946489 /nfs/dbraw/zinc/94/64/89/558946489.db2.gz SNMKAZDWOANKRV-UHFFFAOYSA-N -1 0 413.433 3.078 50 0 HGAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)c2ccccc2C)C4)cc1 ZINC000097942014 558947957 /nfs/dbraw/zinc/94/79/57/558947957.db2.gz NYXAKTVDOJNYPT-UHFFFAOYSA-N -1 0 414.465 3.205 50 0 HGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 ZINC000095368042 559080237 /nfs/dbraw/zinc/08/02/37/559080237.db2.gz WIEWGSKDZJYRAU-FQEVSTJZSA-N -1 0 400.519 3.126 50 0 HGAARM O=c1cc(CSc2ncccn2)nc2[n-]c(SCc3ccc(Cl)cc3)nn21 ZINC000100071782 559129560 /nfs/dbraw/zinc/12/95/60/559129560.db2.gz IFBSEETVJFHQES-UHFFFAOYSA-N -1 0 416.919 3.446 50 0 HGAARM Cc1cc(OCC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000238950385 559271752 /nfs/dbraw/zinc/27/17/52/559271752.db2.gz XSZBMKCCHHTLGD-WKILWMFISA-N -1 0 401.459 3.104 50 0 biogenic HGAARM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000017287051 560705790 /nfs/dbraw/zinc/70/57/90/560705790.db2.gz WHXRJYPBKUSCBH-UHFFFAOYSA-N -1 0 400.547 3.041 50 0 HGAARM COc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1Br ZINC000001158533 560727416 /nfs/dbraw/zinc/72/74/16/560727416.db2.gz MJYPQTWJWSZILH-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000004675003 560735963 /nfs/dbraw/zinc/73/59/63/560735963.db2.gz YFSMTHGYCNUTDW-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM O=C(NCc1c(F)cccc1F)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693229 560773565 /nfs/dbraw/zinc/77/35/65/560773565.db2.gz HKXRQEILIGIBAN-UHFFFAOYSA-N -1 0 415.468 3.214 50 0 HGAARM Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4cccc5ccccc54)c(O)c-3c2=O)n1 ZINC000018063695 560774475 /nfs/dbraw/zinc/77/44/75/560774475.db2.gz ZLRQJUXHXNVDGQ-UHFFFAOYSA-N -1 0 411.465 3.466 50 0 HGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1Cl ZINC000101169228 560787681 /nfs/dbraw/zinc/78/76/81/560787681.db2.gz GXJBAEVXEWZFHZ-CVEARBPZSA-N -1 0 405.241 3.495 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1Cl ZINC000101262194 560789930 /nfs/dbraw/zinc/78/99/30/560789930.db2.gz HSZGVDYKASHYPC-DLBZAZTESA-N -1 0 422.832 3.192 50 0 HGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 ZINC000101299788 560791167 /nfs/dbraw/zinc/79/11/67/560791167.db2.gz NQJQDKISZLUJJS-IBGZPJMESA-N -1 0 404.426 3.436 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000101723426 560799233 /nfs/dbraw/zinc/79/92/33/560799233.db2.gz AHUAMNNDQXWGMP-UHFFFAOYSA-N -1 0 417.421 3.361 50 0 HGAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)c1 ZINC000101893042 560804483 /nfs/dbraw/zinc/80/44/83/560804483.db2.gz IOYMHZUPECYPKB-DLBZAZTESA-N -1 0 422.832 3.192 50 0 HGAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000102478941 560811720 /nfs/dbraw/zinc/81/17/20/560811720.db2.gz NRMRWCVXFJXLPV-RBUKOAKNSA-N -1 0 401.426 3.452 50 0 HGAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101260366 560851467 /nfs/dbraw/zinc/85/14/67/560851467.db2.gz XQSXTUQTFFYQMU-DLBZAZTESA-N -1 0 400.822 3.163 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1C(=O)[O-] ZINC000020302158 560883492 /nfs/dbraw/zinc/88/34/92/560883492.db2.gz VKLPPPIZRZTGQE-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM COc1ccc([C@@H]2C(=C(O)c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 ZINC000013115516 560884763 /nfs/dbraw/zinc/88/47/63/560884763.db2.gz PKQPXAKKMPEKAN-SQGPQFPESA-N -1 0 422.403 3.484 50 0 HGAARM Cc1cccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)c1C ZINC000113560522 568452724 /nfs/dbraw/zinc/45/27/24/568452724.db2.gz COLJXPQBEGZVKH-QZEKMECESA-N -1 0 424.478 3.307 50 0 HGAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000628483 568456105 /nfs/dbraw/zinc/45/61/05/568456105.db2.gz MOLILYYWCGUAMI-UHFFFAOYSA-N -1 0 415.877 3.106 50 0 HGAARM COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc(OC)c1OC ZINC000000718645 568465944 /nfs/dbraw/zinc/46/59/44/568465944.db2.gz KWYRCMJZJUBVFA-GWCFXTLKSA-N -1 0 401.341 3.267 50 0 HGAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1ccc(OC(F)F)cc1 ZINC000012348368 568495404 /nfs/dbraw/zinc/49/54/04/568495404.db2.gz CPRPOYRJJOXCGI-UHFFFAOYSA-N -1 0 418.425 3.088 50 0 HGAARM COCc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000026547435 568552374 /nfs/dbraw/zinc/55/23/74/568552374.db2.gz MQFSYXUIGLPZQY-UHFFFAOYSA-N -1 0 400.250 3.095 50 0 HGAARM O=C(NCc1cc(F)ccc1Br)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000095365204 568602027 /nfs/dbraw/zinc/60/20/27/568602027.db2.gz KMYGBVRXIHGFQV-UHFFFAOYSA-N -1 0 408.252 3.043 50 0 HGAARM Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4c3cnn4C)cc2)c(C)c1CCC(=O)[O-] ZINC000095424310 568607587 /nfs/dbraw/zinc/60/75/87/568607587.db2.gz ZQYMMJLCEDJRHA-HXUWFJFHSA-N -1 0 421.501 3.047 50 0 HGAARM CCCN(CC(=O)[O-])C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000095970021 568671348 /nfs/dbraw/zinc/67/13/48/568671348.db2.gz FIIIZIXQBFNCES-UHFFFAOYSA-N -1 0 409.236 3.231 50 0 HGAARM O=C([O-])CCCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000095970349 568671351 /nfs/dbraw/zinc/67/13/51/568671351.db2.gz MSNIVGDJXZRZQT-UHFFFAOYSA-N -1 0 421.295 3.282 50 0 HGAARM CCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)C(=O)[O-] ZINC000095991855 568677819 /nfs/dbraw/zinc/67/78/19/568677819.db2.gz FNCCQQHRJUPGGY-IBGZPJMESA-N -1 0 412.486 3.070 50 0 HGAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(F)cc3)C2)c1 ZINC000225848944 568680349 /nfs/dbraw/zinc/68/03/49/568680349.db2.gz GACVMDKGEZJZLQ-SFHVURJKSA-N -1 0 400.406 3.385 50 0 HGAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(F)cc3)C2)c1 ZINC000225848965 568680363 /nfs/dbraw/zinc/68/03/63/568680363.db2.gz GACVMDKGEZJZLQ-GOSISDBHSA-N -1 0 400.406 3.385 50 0 HGAARM CC(C)CCN1c2cc([N-]S(=O)(=O)c3cn(C)cn3)ccc2OCC(C)(C)C1=O ZINC000096025644 568686495 /nfs/dbraw/zinc/68/64/95/568686495.db2.gz IOABWJSVRYKMSK-UHFFFAOYSA-N -1 0 420.535 3.019 50 0 HGAARM CCOc1cc(C(=O)[O-])cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000227145206 568699391 /nfs/dbraw/zinc/69/93/91/568699391.db2.gz OHUPROCOGVZCNT-UHFFFAOYSA-N -1 0 401.234 3.314 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2nc(C)cs2)cc1 ZINC000021482819 568704249 /nfs/dbraw/zinc/70/42/49/568704249.db2.gz NHDCDYZMWQVLJK-UHFFFAOYSA-N -1 0 417.512 3.191 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000096361140 568739018 /nfs/dbraw/zinc/73/90/18/568739018.db2.gz LSYPTYDZUNBTCP-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM O=C(Nc1cc(F)cc(F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361231 568739163 /nfs/dbraw/zinc/73/91/63/568739163.db2.gz KOZJKLSMDHIHNU-UHFFFAOYSA-N -1 0 412.805 3.394 50 0 HGAARM CSc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000096361191 568739201 /nfs/dbraw/zinc/73/92/01/568739201.db2.gz PSOFIRXZTIKSCL-UHFFFAOYSA-N -1 0 406.464 3.324 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000000890345 568740846 /nfs/dbraw/zinc/74/08/46/568740846.db2.gz UCCYYUVARKTOLH-QGZVFWFLSA-N -1 0 400.406 3.385 50 0 HGAARM O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938083 568752003 /nfs/dbraw/zinc/75/20/03/568752003.db2.gz MVBAHBIPDDTVQY-YFKPBYRVSA-N -1 0 423.039 3.315 50 0 HGAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)cc1 ZINC000000969109 568758688 /nfs/dbraw/zinc/75/86/88/568758688.db2.gz WXCHDETYVQEOEU-CHWSQXEVSA-N -1 0 403.328 3.349 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1cccnc1 ZINC000000997732 568760954 /nfs/dbraw/zinc/76/09/54/568760954.db2.gz SJWFISQOHAAHBI-UHFFFAOYSA-N -1 0 405.439 3.078 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000000999778 568761141 /nfs/dbraw/zinc/76/11/41/568761141.db2.gz FGKUSUWAGBXYHP-MDZDMXLPSA-N -1 0 413.282 3.470 50 0 HGAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000012507961 568839879 /nfs/dbraw/zinc/83/98/79/568839879.db2.gz IJKGRTCZQHTZBI-UHFFFAOYSA-N -1 0 403.485 3.396 50 0 HGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000012521414 568841897 /nfs/dbraw/zinc/84/18/97/568841897.db2.gz WNIHYZCYRUUCCH-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003043759 568848141 /nfs/dbraw/zinc/84/81/41/568848141.db2.gz RSUPGCOJBCYDHC-UHFFFAOYSA-N -1 0 411.483 3.366 50 0 HGAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003043799 568848422 /nfs/dbraw/zinc/84/84/22/568848422.db2.gz LAWRBBHMCSTKDD-UHFFFAOYSA-N -1 0 414.918 3.061 50 0 HGAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000004026866 568878110 /nfs/dbraw/zinc/87/81/10/568878110.db2.gz CMBDKCKWKSHDKO-AUUYWEPGSA-N -1 0 407.422 3.303 50 0 biogenic HGAARM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1N1CCCC1=O ZINC000012651513 568906673 /nfs/dbraw/zinc/90/66/73/568906673.db2.gz NBWUPTQQBSXIPZ-UHFFFAOYSA-N -1 0 400.378 3.040 50 0 HGAARM O=C(NCCc1cn2ccccc2n1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000012668828 568907216 /nfs/dbraw/zinc/90/72/16/568907216.db2.gz LMJSHVSTBBTPMA-UHFFFAOYSA-N -1 0 415.375 3.217 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(OC(F)F)c1 ZINC000003480326 568908339 /nfs/dbraw/zinc/90/83/39/568908339.db2.gz BIJVYNNHRZHYFY-UHFFFAOYSA-N -1 0 420.397 3.131 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2sccc2C(N)=O)cc1 ZINC000004148319 568916762 /nfs/dbraw/zinc/91/67/62/568916762.db2.gz UUKIWAPVLRRXEU-UHFFFAOYSA-N -1 0 415.496 3.209 50 0 HGAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)C1 ZINC000031821017 568933140 /nfs/dbraw/zinc/93/31/40/568933140.db2.gz PWFLZHDOOXMJNR-MTJIALIYSA-N -1 0 401.463 3.075 50 0 HGAARM COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)[O-])C(=O)[C@]31C ZINC000004073665 568937878 /nfs/dbraw/zinc/93/78/78/568937878.db2.gz NNTRRDQQBLWAIM-QFIPXVFZSA-N -1 0 405.410 3.115 50 0 biogenic HGAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC2 ZINC000065363267 568939146 /nfs/dbraw/zinc/93/91/46/568939146.db2.gz XSRLGERJVZYKHS-RTWAWAEBSA-N -1 0 412.486 3.470 50 0 HGAARM COc1ccccc1NC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000084183375 568942648 /nfs/dbraw/zinc/94/26/48/568942648.db2.gz OSGSOZBBWZWIFV-UHFFFAOYSA-N -1 0 418.450 3.227 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)[n-]c2=O)cc1 ZINC000004317327 568962651 /nfs/dbraw/zinc/96/26/51/568962651.db2.gz BKBDQMKCEHMXGA-UHFFFAOYSA-N -1 0 400.435 3.047 50 0 HGAARM COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c(OC)c1 ZINC000101358735 568968952 /nfs/dbraw/zinc/96/89/52/568968952.db2.gz BLVGVUYRANKNAF-DOTOQJQBSA-N -1 0 421.236 3.303 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000015730423 568980934 /nfs/dbraw/zinc/98/09/34/568980934.db2.gz WPGBMLRPNZXHKU-NSHDSACASA-N -1 0 408.501 3.327 50 0 HGAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc(Cl)cc1 ZINC000008381983 568996208 /nfs/dbraw/zinc/99/62/08/568996208.db2.gz WBWXKPMCTONNKG-INIZCTEOSA-N -1 0 412.902 3.104 50 0 HGAARM COc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1 ZINC000015781926 569002923 /nfs/dbraw/zinc/00/29/23/569002923.db2.gz TXIPSUHCZSKFPB-KRWDZBQOSA-N -1 0 400.431 3.318 50 0 HGAARM Cc1cc(I)ccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000001508406 569007296 /nfs/dbraw/zinc/00/72/96/569007296.db2.gz JQFOHRHSVYGSBH-UHFFFAOYSA-N -1 0 407.163 3.098 50 0 HGAARM O=C(CSc1ccncc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006145915 569014670 /nfs/dbraw/zinc/01/46/70/569014670.db2.gz VOPCTCXGKDXNCV-UHFFFAOYSA-N -1 0 406.514 3.070 50 0 HGAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C(=O)[O-])C(C)C)OC(C)(C)CC3 ZINC000012900245 569020602 /nfs/dbraw/zinc/02/06/02/569020602.db2.gz FQEIWCBOVPHNND-FQEVSTJZSA-N -1 0 415.486 3.363 50 0 biogenic HGAARM CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012916197 569022560 /nfs/dbraw/zinc/02/25/60/569022560.db2.gz KVVQMRXPRDNAFU-UHFFFAOYSA-N -1 0 423.299 3.012 50 0 HGAARM CCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397438 569034807 /nfs/dbraw/zinc/03/48/07/569034807.db2.gz CAUPJQZKOQGYIV-UHFFFAOYSA-N -1 0 419.503 3.360 50 0 HGAARM Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000035684471 569049459 /nfs/dbraw/zinc/04/94/59/569049459.db2.gz ONZCJCBQGGBLPR-KRWDZBQOSA-N -1 0 404.426 3.387 50 0 HGAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239275080 569054048 /nfs/dbraw/zinc/05/40/48/569054048.db2.gz BDMVNYBTHTVSCW-MRVWCRGKSA-N -1 0 402.516 3.371 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245326918 569055850 /nfs/dbraw/zinc/05/58/50/569055850.db2.gz NECSGQGRHZUDDS-BZSNNMDCSA-N -1 0 404.507 3.130 50 0 HGAARM CCCC[C@H](CC)CNC(=O)CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006656976 569083002 /nfs/dbraw/zinc/08/30/02/569083002.db2.gz IPNLFAHJMLYZTK-WMLDXEAASA-N -1 0 400.548 3.467 50 0 HGAARM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2F)C1 ZINC000036066081 569085741 /nfs/dbraw/zinc/08/57/41/569085741.db2.gz VCNFHAROFXRDBR-BBRMVZONSA-N -1 0 418.494 3.308 50 0 HGAARM CN(C[C@@H]1COCCO1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820361 569102546 /nfs/dbraw/zinc/10/25/46/569102546.db2.gz RSCFPURFIFWDEZ-MRXNPFEDSA-N -1 0 404.850 3.142 50 0 HGAARM C[C@@H]1CCc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CCCc2ccccc2)C1 ZINC000006759007 569113084 /nfs/dbraw/zinc/11/30/84/569113084.db2.gz HHECKJMGACEUOZ-CQSZACIVSA-N -1 0 412.511 3.067 50 0 HGAARM Cc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 ZINC000006778394 569118884 /nfs/dbraw/zinc/11/88/84/569118884.db2.gz QZDOQDZLMTYZDF-UHFFFAOYSA-N -1 0 402.501 3.219 50 0 HGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1Cl ZINC000064946750 569128574 /nfs/dbraw/zinc/12/85/74/569128574.db2.gz SDOULGSWEHIQNL-UHFFFAOYSA-N -1 0 414.892 3.071 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccco3)cc2)nc(C)n1 ZINC000006800765 569128819 /nfs/dbraw/zinc/12/88/19/569128819.db2.gz FIHOSLUWEMZUFC-UHFFFAOYSA-N -1 0 400.460 3.059 50 0 HGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000064980704 569140932 /nfs/dbraw/zinc/14/09/32/569140932.db2.gz NHXAEDYKMGKOSR-UHFFFAOYSA-N -1 0 423.435 3.425 50 0 HGAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000036358483 569149757 /nfs/dbraw/zinc/14/97/57/569149757.db2.gz SQQDPPFAUSQNQU-UHFFFAOYSA-N -1 0 404.879 3.042 50 0 HGAARM COc1cccc(-c2nc(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cs2)c1OC ZINC000036359955 569151711 /nfs/dbraw/zinc/15/17/11/569151711.db2.gz AXDIFXOMWQOYFR-GOSISDBHSA-N -1 0 412.467 3.312 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c1 ZINC000065020850 569154079 /nfs/dbraw/zinc/15/40/79/569154079.db2.gz OQOFEMXBZMKULF-UHFFFAOYSA-N -1 0 404.488 3.149 50 0 HGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)s1 ZINC000065183794 569191101 /nfs/dbraw/zinc/19/11/01/569191101.db2.gz KCYYQMWKNNFHCQ-UHFFFAOYSA-N -1 0 406.411 3.361 50 0 HGAARM O=C(NCCc1ccccc1)c1c(=O)[nH]c2c(cnn2-c2ccc(Cl)cc2)c1[O-] ZINC000065249913 569205898 /nfs/dbraw/zinc/20/58/98/569205898.db2.gz YZNBBJVKLQEDQM-UHFFFAOYSA-N -1 0 408.845 3.045 50 0 HGAARM O=C(NCc1cccc(Cl)c1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249880 569205906 /nfs/dbraw/zinc/20/59/06/569205906.db2.gz ZLHLIXDKLMQBFK-UHFFFAOYSA-N -1 0 408.845 3.062 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000170612483 569246455 /nfs/dbraw/zinc/24/64/55/569246455.db2.gz YWTJBQOYSFIBIM-GOSISDBHSA-N -1 0 400.406 3.385 50 0 HGAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CC(=O)OC34CCCC4)c2)cc1 ZINC000016957144 569268408 /nfs/dbraw/zinc/26/84/08/569268408.db2.gz UVUKOXNSMXIDEO-GOSISDBHSA-N -1 0 422.437 3.452 50 0 HGAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000016954154 569268458 /nfs/dbraw/zinc/26/84/58/569268458.db2.gz PCHFDGFSLUSRIV-UHFFFAOYSA-N -1 0 413.455 3.152 50 0 HGAARM Cc1cc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002102156 569281452 /nfs/dbraw/zinc/28/14/52/569281452.db2.gz MMALLEVOGHZDKX-CQSZACIVSA-N -1 0 401.459 3.119 50 0 biogenic HGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000002115425 569284607 /nfs/dbraw/zinc/28/46/07/569284607.db2.gz WABXCPBYQFBXNG-LJQANCHMSA-N -1 0 415.829 3.335 50 0 biogenic HGAARM Cc1c(OCC(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002137045 569287591 /nfs/dbraw/zinc/28/75/91/569287591.db2.gz USXFKYQAUYLZOT-NRFANRHFSA-N -1 0 421.449 3.301 50 0 biogenic HGAARM O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000208011732 569288879 /nfs/dbraw/zinc/28/88/79/569288879.db2.gz KGZBWLVWBVETMH-UHFFFAOYSA-N -1 0 408.414 3.245 50 0 HGAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000252694619 569320171 /nfs/dbraw/zinc/32/01/71/569320171.db2.gz NLJUWKREJFIEKR-WKILWMFISA-N -1 0 415.486 3.440 50 0 biogenic HGAARM CCc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)[O-])CC3)cc2oc1=O ZINC000002127129 569320493 /nfs/dbraw/zinc/32/04/93/569320493.db2.gz SEGTZRRVJWOQKQ-UHFFFAOYSA-N -1 0 401.459 3.050 50 0 biogenic HGAARM Cc1nnc(NC(=O)CSc2n[n-]c(=NC(=O)OCc3ccccc3)s2)s1 ZINC000027528254 569364226 /nfs/dbraw/zinc/36/42/26/569364226.db2.gz DKJARAMXPGWXMK-UHFFFAOYSA-N -1 0 422.517 3.178 50 0 HGAARM CCNC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000007940672 569385660 /nfs/dbraw/zinc/38/56/60/569385660.db2.gz AFORKOKKJUJNDI-INIZCTEOSA-N -1 0 418.515 3.094 50 0 HGAARM COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013400800 569413407 /nfs/dbraw/zinc/41/34/07/569413407.db2.gz KDQYVQMXVCYBFX-LDADJPATSA-N -1 0 406.394 3.396 50 0 HGAARM COc1cc(OC)cc([C@H]2CC(c3ccccc3F)=NN2C(=O)CCC(=O)[O-])c1 ZINC000328598133 569416208 /nfs/dbraw/zinc/41/62/08/569416208.db2.gz KFSWKFQTLMFCNR-LJQANCHMSA-N -1 0 400.406 3.385 50 0 HGAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238882099 571046639 /nfs/dbraw/zinc/04/66/39/571046639.db2.gz CIPDGAJKNINTBP-KKUMJFAQSA-N -1 0 413.470 3.056 50 0 HGAARM O=C([O-])[C@@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)c1ccccc1 ZINC000008518437 571067764 /nfs/dbraw/zinc/06/77/64/571067764.db2.gz WXSZIXNPHTYLLB-IAYYMHMVSA-N -1 0 419.481 3.145 50 0 HGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 ZINC000008814925 571121242 /nfs/dbraw/zinc/12/12/42/571121242.db2.gz SYOSDGZFNGWYFR-HYBUGGRVSA-N -1 0 419.481 3.270 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)c(OC)c1 ZINC000008840855 571123950 /nfs/dbraw/zinc/12/39/50/571123950.db2.gz DUHOJLFHDFKVGR-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM COCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccccc1 ZINC000039996831 571137371 /nfs/dbraw/zinc/13/73/71/571137371.db2.gz OWRSQJNPDXFOPF-FQEVSTJZSA-N -1 0 424.453 3.115 50 0 HGAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2cccc(C)c2)c1=O ZINC000008994391 571208317 /nfs/dbraw/zinc/20/83/17/571208317.db2.gz LXTDJZNSAGXKHD-NRFANRHFSA-N -1 0 416.481 3.401 50 0 biogenic HGAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(-c2ccccc2)c1=O ZINC000009058615 571217037 /nfs/dbraw/zinc/21/70/37/571217037.db2.gz GIUBVIVPTHIAFT-FQEVSTJZSA-N -1 0 402.454 3.092 50 0 biogenic HGAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2ccccc2n1 ZINC000009714402 571281423 /nfs/dbraw/zinc/28/14/23/571281423.db2.gz BSJUULUMKSOWSY-UHFFFAOYSA-N -1 0 422.444 3.375 50 0 HGAARM CC(C)CCNC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828502 571286862 /nfs/dbraw/zinc/28/68/62/571286862.db2.gz HGTMCWPXLPZVFA-UHFFFAOYSA-N -1 0 401.941 3.302 50 0 HGAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ncccc1O[C@@H](C)c1ccccc1 ZINC000089512439 571310194 /nfs/dbraw/zinc/31/01/94/571310194.db2.gz XQOJQZCNWYMQMU-ZDUSSCGKSA-N -1 0 406.895 3.718 50 0 HGAARM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000002635980 132256130 /nfs/dbraw/zinc/25/61/30/132256130.db2.gz RMAHXGSUGKPYII-UHFFFAOYSA-N -1 0 420.531 3.430 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)c(OC)c1 ZINC000005099674 132301353 /nfs/dbraw/zinc/30/13/53/132301353.db2.gz FITRNLLGSLCLBC-UHFFFAOYSA-N -1 0 418.515 3.440 50 0 HGAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000032908769 522222495 /nfs/dbraw/zinc/22/24/95/522222495.db2.gz IJIAAEWASPABDH-CYBMUJFWSA-N -1 0 400.456 3.122 50 0 HGAARM COc1cc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c(=O)[n-]2)cc(OC)c1 ZINC000032778608 522669713 /nfs/dbraw/zinc/66/97/13/522669713.db2.gz OIKLLBPVPKGXEX-UHFFFAOYSA-N -1 0 412.471 3.301 50 0 HGAARM COc1cc(OC)cc([C@H]2c3nc[nH]c3CCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000040309596 522888201 /nfs/dbraw/zinc/88/82/01/522888201.db2.gz MVSCJKXYSXVYJS-FQEVSTJZSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000042122909 525087236 /nfs/dbraw/zinc/08/72/36/525087236.db2.gz FVSXRGTVUPGIDA-UHFFFAOYSA-N -1 0 406.460 3.179 50 0 HGAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000676467 557052839 /nfs/dbraw/zinc/05/28/39/557052839.db2.gz YLJPUURLVFSJEK-UHFFFAOYSA-N -1 0 402.472 3.248 50 0 HGAARM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000917510 557117862 /nfs/dbraw/zinc/11/78/62/557117862.db2.gz GPUZGMZMKUODHR-CYBMUJFWSA-N -1 0 403.485 3.350 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1OC ZINC000000945498 557122898 /nfs/dbraw/zinc/12/28/98/557122898.db2.gz QBMHTRQWCIPPON-UHFFFAOYSA-N -1 0 417.443 3.053 50 0 HGAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)cc2)N1 ZINC000000980850 557130446 /nfs/dbraw/zinc/13/04/46/557130446.db2.gz FMLPVMMDSJQMFO-OQLLNIDSSA-N -1 0 420.206 3.051 50 0 HGAARM COC(=O)c1scc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C(=O)OC ZINC000001027096 557145303 /nfs/dbraw/zinc/14/53/03/557145303.db2.gz XDISACOTFAOSJQ-UHFFFAOYSA-N -1 0 423.390 3.141 50 0 HGAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1cccnc1 ZINC000001041555 557153721 /nfs/dbraw/zinc/15/37/21/557153721.db2.gz GAIWPVTYCYLGDP-RTWAWAEBSA-N -1 0 402.406 3.376 50 0 HGAARM CCOC(=O)Cc1csc([N-]C(NC(=O)CC)(C(F)(F)F)C(F)(F)F)n1 ZINC000001234387 557250279 /nfs/dbraw/zinc/25/02/79/557250279.db2.gz TYNRRCGHRBZQFJ-UHFFFAOYSA-N -1 0 407.336 3.008 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000001446326 557266376 /nfs/dbraw/zinc/26/63/76/557266376.db2.gz ZFLJYPCTGLQGNP-QWHCGFSZSA-N -1 0 403.328 3.349 50 0 HGAARM CCOc1cccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764827 557461698 /nfs/dbraw/zinc/46/16/98/557461698.db2.gz QMJTXSXDSJXFML-UHFFFAOYSA-N -1 0 406.486 3.325 50 0 HGAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)cc1OC ZINC000034767050 557462391 /nfs/dbraw/zinc/46/23/91/557462391.db2.gz YEDWFSUHWGCHDN-HNNXBMFYSA-N -1 0 414.506 3.375 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(F)c(C)c3)c2)no1 ZINC000010552612 557528614 /nfs/dbraw/zinc/52/86/14/557528614.db2.gz PQYMHVVJFOFIMI-UHFFFAOYSA-N -1 0 403.435 3.161 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1 ZINC000004411711 557552823 /nfs/dbraw/zinc/55/28/23/557552823.db2.gz DMIGOCQJVZHQRD-UHFFFAOYSA-N -1 0 401.488 3.072 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000004524414 557563721 /nfs/dbraw/zinc/56/37/21/557563721.db2.gz LHTLRGVOPZZKPX-UHFFFAOYSA-N -1 0 408.863 3.075 50 0 HGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000004657137 557576620 /nfs/dbraw/zinc/57/66/20/557576620.db2.gz TYUQOEUNCZTNER-MSOLQXFVSA-N -1 0 408.520 3.127 50 0 HGAARM O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000004742224 557591157 /nfs/dbraw/zinc/59/11/57/557591157.db2.gz HQHDUVBJKJJGJV-UHFFFAOYSA-N -1 0 408.545 3.240 50 0 HGAARM CCOC(=O)[C@@H](NS(=O)(=O)c1cc(Br)c(Cl)s1)C(C)C ZINC000006891955 557729006 /nfs/dbraw/zinc/72/90/06/557729006.db2.gz AVZDXAFLNPPOEC-VIFPVBQESA-N -1 0 404.735 3.030 50 0 HGAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCCCC3)cc2[n-]c1=S ZINC000003043747 557786776 /nfs/dbraw/zinc/78/67/76/557786776.db2.gz MRLOQAHVFHRWDA-UHFFFAOYSA-N -1 0 409.511 3.368 50 0 HGAARM COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(OC)c1OC ZINC000008690012 557800436 /nfs/dbraw/zinc/80/04/36/557800436.db2.gz MQSUGCCXIDYNKN-UHFFFAOYSA-N -1 0 424.862 3.191 50 0 HGAARM COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C1=O ZINC000009323391 557837088 /nfs/dbraw/zinc/83/70/88/557837088.db2.gz AVUDJAKMBGLGFO-UEEORIODSA-N -1 0 420.668 3.406 50 0 HGAARM COc1ccc(NC(=O)CSCc2nc([N-]c3nc(C)cc(C)n3)no2)cc1 ZINC000019819639 558289904 /nfs/dbraw/zinc/28/99/04/558289904.db2.gz KNTLXFCXWMPGHK-UHFFFAOYSA-N -1 0 400.464 3.101 50 0 HGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000012376225 558392146 /nfs/dbraw/zinc/39/21/46/558392146.db2.gz VILADZIXPVMATB-ZWUNQBBJSA-N -1 0 420.490 3.331 50 0 HGAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012630791 558441927 /nfs/dbraw/zinc/44/19/27/558441927.db2.gz NFWMHFUPDUPOLK-UHFFFAOYSA-N -1 0 424.404 3.052 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccncc2)c1 ZINC000014094127 558619274 /nfs/dbraw/zinc/61/92/74/558619274.db2.gz PGYJVHUWUAMIIW-HNNXBMFYSA-N -1 0 411.483 3.382 50 0 HGAARM COCCn1c(Cc2ccccc2)nnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000014157331 558625636 /nfs/dbraw/zinc/62/56/36/558625636.db2.gz RBIWIYUQEFUDFO-UHFFFAOYSA-N -1 0 413.528 3.106 50 0 HGAARM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c[nH]1)N1CCCC1 ZINC000026529299 558662310 /nfs/dbraw/zinc/66/23/10/558662310.db2.gz DVHMYNQVOAMNTE-UHFFFAOYSA-N -1 0 402.520 3.042 50 0 HGAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1OC(F)F ZINC000029326935 558713682 /nfs/dbraw/zinc/71/36/82/558713682.db2.gz SHRDPOCNRIRAJT-UHFFFAOYSA-N -1 0 401.387 3.412 50 0 HGAARM C[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017082395 558814475 /nfs/dbraw/zinc/81/44/75/558814475.db2.gz KJKCWZUGSMBOQQ-LBPRGKRZSA-N -1 0 402.472 3.165 50 0 HGAARM Cc1cccc(NC(=O)c2c(NC(=O)COCC(=O)[O-])sc3c2CCCC3)c1 ZINC000017082406 558814479 /nfs/dbraw/zinc/81/44/79/558814479.db2.gz WFQHOYBLQRDEQE-UHFFFAOYSA-N -1 0 402.472 3.227 50 0 HGAARM C[C@H](NC(=S)N[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000017082813 558815135 /nfs/dbraw/zinc/81/51/35/558815135.db2.gz AEHPAMDKSLBARU-JTQLQIEISA-N -1 0 404.344 3.412 50 0 HGAARM CSc1ccc(CNC(=O)Cn2c([O-])nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000033038020 558862671 /nfs/dbraw/zinc/86/26/71/558862671.db2.gz ROVKEECRGNWGEN-UHFFFAOYSA-N -1 0 420.494 3.136 50 0 HGAARM O=S(=O)([N-]c1cccc(OCCn2cccn2)c1)c1cnn(Cc2ccccc2)c1 ZINC000058135512 558900749 /nfs/dbraw/zinc/90/07/49/558900749.db2.gz UXNWYSSSCTWKLC-UHFFFAOYSA-N -1 0 423.498 3.008 50 0 HGAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000058135259 558900804 /nfs/dbraw/zinc/90/08/04/558900804.db2.gz FQIIYXVQKYLEEB-UHFFFAOYSA-N -1 0 412.515 3.214 50 0 HGAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc21 ZINC000021756896 558948540 /nfs/dbraw/zinc/94/85/40/558948540.db2.gz OWLUWTAKXSAJKY-UHFFFAOYSA-N -1 0 424.906 3.075 50 0 HGAARM O=C(Cc1ccccc1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097151646 558997345 /nfs/dbraw/zinc/99/73/45/558997345.db2.gz YCQRPSVVUMJBRG-UHFFFAOYSA-N -1 0 418.884 3.470 50 0 HGAARM COc1cc(C=C2OC(=S)[N-]C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000096911457 558999680 /nfs/dbraw/zinc/99/96/80/558999680.db2.gz XMEMZRCHCDWCKR-CXUHLZMHSA-N -1 0 402.403 3.464 50 0 HGAARM CCCCCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077469886 559006198 /nfs/dbraw/zinc/00/61/98/559006198.db2.gz QIKBUEXQFSHLIZ-UHFFFAOYSA-N -1 0 408.549 3.112 50 0 HGAARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000033341762 559064912 /nfs/dbraw/zinc/06/49/12/559064912.db2.gz RLHWGECDSHZPPG-CXUHLZMHSA-N -1 0 414.845 3.434 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1 ZINC000005252373 559077521 /nfs/dbraw/zinc/07/75/21/559077521.db2.gz FKJNGXJTLLLGDY-UHFFFAOYSA-N -1 0 416.499 3.194 50 0 HGAARM CC(C)CCn1c2ccccc2c([O-])c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000100035344 559128995 /nfs/dbraw/zinc/12/89/95/559128995.db2.gz MQFPIRFODWNQIO-UHFFFAOYSA-N -1 0 411.483 3.314 50 0 in-vivo HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004877583 559195592 /nfs/dbraw/zinc/19/55/92/559195592.db2.gz AAXRGSFETILCQD-UHFFFAOYSA-N -1 0 412.515 3.432 50 0 HGAARM O=C([O-])[C@]12CCC(=O)N1c1ccccc1-c1nc(C34CC5CC(CC(C5)C3)C4)nn12 ZINC000408525789 559215611 /nfs/dbraw/zinc/21/56/11/559215611.db2.gz KGVUECRNOMRAEW-JSPRJPKVSA-N -1 0 404.470 3.291 50 0 HGAARM CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000005135099 559250354 /nfs/dbraw/zinc/25/03/54/559250354.db2.gz HTCKGVRXMOZWFO-UHFFFAOYSA-N -1 0 404.488 3.284 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000005154206 559253458 /nfs/dbraw/zinc/25/34/58/559253458.db2.gz WOHCAQKBHSSQCJ-UHFFFAOYSA-N -1 0 406.891 3.375 50 0 HGAARM CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)[n-]1 ZINC000005154706 559254324 /nfs/dbraw/zinc/25/43/24/559254324.db2.gz WGJXMSRNSYXFAF-UHFFFAOYSA-N -1 0 410.499 3.194 50 0 HGAARM Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000005154682 559254344 /nfs/dbraw/zinc/25/43/44/559254344.db2.gz MPFZJUFLALKCMM-UHFFFAOYSA-N -1 0 400.891 3.448 50 0 HGAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1C ZINC000005252602 560551664 /nfs/dbraw/zinc/55/16/64/560551664.db2.gz RAIBSUJVQUFUCC-UHFFFAOYSA-N -1 0 412.489 3.001 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCCCC3=O)c2)c1 ZINC000005330113 560565730 /nfs/dbraw/zinc/56/57/30/560565730.db2.gz CBRUKFYYFASUPY-UHFFFAOYSA-N -1 0 404.488 3.330 50 0 HGAARM Cc1c(NC(=S)NC(=O)COc2ccc(Br)cc2)cccc1C(=O)[O-] ZINC000001160118 560727428 /nfs/dbraw/zinc/72/74/28/560727428.db2.gz DHJALCSHDRYLFA-UHFFFAOYSA-N -1 0 423.288 3.348 50 0 HGAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000101064861 560769551 /nfs/dbraw/zinc/76/95/51/560769551.db2.gz AQFXABMYTOSWGD-FMQUCBEESA-N -1 0 423.469 3.049 50 0 HGAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101260364 560789808 /nfs/dbraw/zinc/78/98/08/560789808.db2.gz XQSXTUQTFFYQMU-SJORKVTESA-N -1 0 400.822 3.163 50 0 HGAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000101260712 560789980 /nfs/dbraw/zinc/78/99/80/560789980.db2.gz QIUYJCCOYOOSHH-HOTGVXAUSA-N -1 0 415.247 3.264 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1C ZINC000101277569 560790301 /nfs/dbraw/zinc/79/03/01/560790301.db2.gz ZCPKYOBRLXLVOM-RBUKOAKNSA-N -1 0 416.441 3.155 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)NCc3ccccc3C)c([O-])c3cccnc32)c1 ZINC000101722449 560798815 /nfs/dbraw/zinc/79/88/15/560798815.db2.gz UGCIBGQUALCDEV-UHFFFAOYSA-N -1 0 415.449 3.338 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)cc1 ZINC000101722862 560799013 /nfs/dbraw/zinc/79/90/13/560799013.db2.gz RMAHRECXSRUUNU-UHFFFAOYSA-N -1 0 401.422 3.411 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)cc1 ZINC000101836136 560803523 /nfs/dbraw/zinc/80/35/23/560803523.db2.gz ZEILCQQLKJPOSD-GOSISDBHSA-N -1 0 408.389 3.267 50 0 HGAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000102716214 560823314 /nfs/dbraw/zinc/82/33/14/560823314.db2.gz ZASFLYPBFPIUCE-CQSZACIVSA-N -1 0 422.441 3.270 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2OC)cc1 ZINC000102810758 560829343 /nfs/dbraw/zinc/82/93/43/560829343.db2.gz LFQKZWFRJNCHRS-GOSISDBHSA-N -1 0 420.425 3.136 50 0 HGAARM Cc1ccc(-n2nc3c4cc(C(=O)NC[C@@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1C ZINC000101282103 560851707 /nfs/dbraw/zinc/85/17/07/560851707.db2.gz OMHGGDFDERERHY-SFHVURJKSA-N -1 0 416.481 3.344 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1Br ZINC000047202388 560884429 /nfs/dbraw/zinc/88/44/29/560884429.db2.gz PGJJHPJFMFVLRE-UHFFFAOYSA-N -1 0 404.213 3.096 50 0 HGAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCOCC2)c1 ZINC000022852457 568415604 /nfs/dbraw/zinc/41/56/04/568415604.db2.gz PLPHCHGFTUGUTK-MRXNPFEDSA-N -1 0 412.471 3.187 50 0 HGAARM COc1cc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc(OC)c1OC ZINC000000718646 568465929 /nfs/dbraw/zinc/46/59/29/568465929.db2.gz KWYRCMJZJUBVFA-ZWNOBZJWSA-N -1 0 401.341 3.267 50 0 HGAARM Cc1ccc2[nH]c(=O)c([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000034138342 568532190 /nfs/dbraw/zinc/53/21/90/568532190.db2.gz KKPZCWONBIGSAG-FQEVSTJZSA-N -1 0 403.438 3.379 50 0 HGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCOC2(CCC2)C1 ZINC000095451967 568615096 /nfs/dbraw/zinc/61/50/96/568615096.db2.gz JCJFAGZTSKCEIM-UHFFFAOYSA-N -1 0 404.463 3.022 50 0 HGAARM COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1OC ZINC000095460458 568620198 /nfs/dbraw/zinc/62/01/98/568620198.db2.gz BEBRHLRVRQXYRM-UHFFFAOYSA-N -1 0 420.487 3.111 50 0 HGAARM COCCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1cccc(F)c1 ZINC000040152343 568625331 /nfs/dbraw/zinc/62/53/31/568625331.db2.gz ZLETUJJXLHPQHF-LJQANCHMSA-N -1 0 422.453 3.001 50 0 HGAARM O=S(=O)([N-]c1ccc(Cl)c(CN2CCOCC2)c1)c1cc(F)ccc1F ZINC000225478336 568641623 /nfs/dbraw/zinc/64/16/23/568641623.db2.gz BAWXAPVTZRSTCR-UHFFFAOYSA-N -1 0 402.850 3.251 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000020763308 568642596 /nfs/dbraw/zinc/64/25/96/568642596.db2.gz IANZKXBQDGFICS-INIZCTEOSA-N -1 0 401.260 3.216 50 0 biogenic HGAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cccc(F)c2)c(C)n1C ZINC000021030269 568659333 /nfs/dbraw/zinc/65/93/33/568659333.db2.gz CBWNWHXFKSPBSO-UHFFFAOYSA-N -1 0 407.511 3.454 50 0 HGAARM O=S(=O)([N-]CCn1nc(-c2ccccn2)c2c1CCCC2)c1c(F)cccc1F ZINC000096121516 568699765 /nfs/dbraw/zinc/69/97/65/568699765.db2.gz YBCUOPKMYAIBQD-UHFFFAOYSA-N -1 0 418.469 3.081 50 0 HGAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000000862391 568718471 /nfs/dbraw/zinc/71/84/71/568718471.db2.gz DAEVKAGLAAEXCJ-UHFFFAOYSA-N -1 0 410.879 3.321 50 0 HGAARM C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000015043765 568748445 /nfs/dbraw/zinc/74/84/45/568748445.db2.gz YHUZNBCTZHINTR-CVEARBPZSA-N -1 0 413.493 3.448 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c(OC)c1 ZINC000000945500 568754532 /nfs/dbraw/zinc/75/45/32/568754532.db2.gz JWNQNPDQHHOKSB-UHFFFAOYSA-N -1 0 417.443 3.053 50 0 HGAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2)[n-]c1=O ZINC000021882687 568757806 /nfs/dbraw/zinc/75/78/06/568757806.db2.gz GDAOKGPEPVARLF-UHFFFAOYSA-N -1 0 409.471 3.242 50 0 HGAARM COC(=O)c1c(OC)nc(Oc2cccc(-c3ccccc3)c2C(=O)[O-])nc1OC ZINC000096562154 568760256 /nfs/dbraw/zinc/76/02/56/568760256.db2.gz FVBCGHUKNQLMGG-UHFFFAOYSA-N -1 0 410.382 3.438 50 0 HGAARM CN(C1CCCCC1)S(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000096997099 568766085 /nfs/dbraw/zinc/76/60/85/568766085.db2.gz AXIFQHJJNLBKBA-UHFFFAOYSA-N -1 0 408.545 3.441 50 0 HGAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCC3)o2)c1 ZINC000097161477 568769173 /nfs/dbraw/zinc/76/91/73/568769173.db2.gz GFWZCOJADLCLJA-UHFFFAOYSA-N -1 0 414.487 3.323 50 0 HGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccc(Br)cc2)c1 ZINC000002791064 568809704 /nfs/dbraw/zinc/80/97/04/568809704.db2.gz YTRRFROJKBPJJL-UHFFFAOYSA-N -1 0 411.281 3.100 50 0 HGAARM CC(C)C[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002950035 568820725 /nfs/dbraw/zinc/82/07/25/568820725.db2.gz NLVPAYPOXXOVKH-QZFKAFNDSA-N -1 0 404.850 3.319 50 0 HGAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000057118591 568824334 /nfs/dbraw/zinc/82/43/34/568824334.db2.gz HIKQTIJMMKBXJX-UHFFFAOYSA-N -1 0 418.240 3.025 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1COc2ccccc2C1 ZINC000012561016 568858555 /nfs/dbraw/zinc/85/85/55/568858555.db2.gz MHMPJXSVPGKTCF-CQSZACIVSA-N -1 0 415.496 3.134 50 0 HGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)c(C)c2)cc1OC ZINC000003626932 568864982 /nfs/dbraw/zinc/86/49/82/568864982.db2.gz NRKHLMBSRIIOLW-INIZCTEOSA-N -1 0 407.850 3.377 50 0 HGAARM O=C(COC(=O)CCc1nc2ccccc2s1)[N-]C(=O)c1ccccc1Cl ZINC000003393315 568895105 /nfs/dbraw/zinc/89/51/05/568895105.db2.gz YBLHIXKCGSCHEU-UHFFFAOYSA-N -1 0 402.859 3.382 50 0 HGAARM O=C([O-])C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000004029191 568934262 /nfs/dbraw/zinc/93/42/62/568934262.db2.gz YWCMVBHNMHKDLX-PMACEKPBSA-N -1 0 410.470 3.162 50 0 biogenic HGAARM Cc1ccc(CN(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c2cnccn2)s1 ZINC000004106043 568943093 /nfs/dbraw/zinc/94/30/93/568943093.db2.gz ZQMIFXJSRLSXAT-UHFFFAOYSA-N -1 0 402.501 3.260 50 0 HGAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1ccc(F)cc1 ZINC000015731509 568982014 /nfs/dbraw/zinc/98/20/14/568982014.db2.gz SRLRIAXCDPLSBQ-UHFFFAOYSA-N -1 0 400.431 3.493 50 0 HGAARM COc1ccc(-c2nnnn2C(C)C)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000001464699 568990143 /nfs/dbraw/zinc/99/01/43/568990143.db2.gz MFXXNZKMGLAEHV-UHFFFAOYSA-N -1 0 401.492 3.347 50 0 HGAARM CCOc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000015826862 569011586 /nfs/dbraw/zinc/01/15/86/569011586.db2.gz IOWCRBSWHLFONZ-AWEZNQCLSA-N -1 0 401.488 3.462 50 0 HGAARM Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000035397328 569034825 /nfs/dbraw/zinc/03/48/25/569034825.db2.gz XHRGBBXNHCALIL-UHFFFAOYSA-N -1 0 403.504 3.434 50 0 HGAARM COc1cc([C@H]2CC(c3c(=O)cc(C)oc3[O-])=NCCS2)cc(OC)c1OC ZINC000137816705 569045245 /nfs/dbraw/zinc/04/52/45/569045245.db2.gz NLFRVEKCOFEQGO-QGZVFWFLSA-N -1 0 405.472 3.347 50 0 HGAARM O=C(/C=C/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006416329 569046884 /nfs/dbraw/zinc/04/68/84/569046884.db2.gz IQFAPIAUNLKHRS-LUZURFALSA-N -1 0 406.467 3.486 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1nc2ccccc2s1 ZINC000001771867 569052417 /nfs/dbraw/zinc/05/24/17/569052417.db2.gz PCRJMPUAWBKPQM-UHFFFAOYSA-N -1 0 411.468 3.139 50 0 HGAARM COC(=O)C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000245253733 569055377 /nfs/dbraw/zinc/05/53/77/569055377.db2.gz LXJVMBVOJTVUMM-ZOWXZIJZSA-N -1 0 400.258 3.381 50 0 HGAARM COc1cc2c(cc1OC)CN(C(=O)CCc1c[nH]c3ccccc13)[C@H](C(=O)[O-])C2 ZINC000006624308 569075509 /nfs/dbraw/zinc/07/55/09/569075509.db2.gz VYPZDXUVRGZVSW-IBGZPJMESA-N -1 0 408.454 3.156 50 0 biogenic HGAARM CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2)[n-]c1=O ZINC000064774852 569093379 /nfs/dbraw/zinc/09/33/79/569093379.db2.gz GOSXOUWPCZXFIM-UHFFFAOYSA-N -1 0 409.471 3.242 50 0 HGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c(C)n1C ZINC000064863315 569111570 /nfs/dbraw/zinc/11/15/70/569111570.db2.gz WOARDRXBZZHYPD-UHFFFAOYSA-N -1 0 400.884 3.281 50 0 HGAARM O=C([O-])C[C@H](CNC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1 ZINC000006759341 569112889 /nfs/dbraw/zinc/11/28/89/569112889.db2.gz AIGSBBRMQLXAIM-OAHLLOKOSA-N -1 0 415.829 3.200 50 0 HGAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000064979551 569141018 /nfs/dbraw/zinc/14/10/18/569141018.db2.gz ZYBVGLSRNJMDDQ-UHFFFAOYSA-N -1 0 420.443 3.177 50 0 HGAARM C=CCN1C(=O)N/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000002061669 569152019 /nfs/dbraw/zinc/15/20/19/569152019.db2.gz HWAPFLKQAVBGHR-BOPFTXTBSA-N -1 0 408.410 3.051 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C)o1 ZINC000065194105 569192660 /nfs/dbraw/zinc/19/26/60/569192660.db2.gz DPHOHUYAQUYOQI-UHFFFAOYSA-N -1 0 410.883 3.463 50 0 HGAARM O=C(NCCc1cccs1)c1c(=O)[nH]c2c(cnn2-c2ccc(Cl)cc2)c1[O-] ZINC000065249914 569205965 /nfs/dbraw/zinc/20/59/65/569205965.db2.gz RIZLYNTVERQXJN-UHFFFAOYSA-N -1 0 414.874 3.107 50 0 HGAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1Cl ZINC000007053667 569214372 /nfs/dbraw/zinc/21/43/72/569214372.db2.gz UQOMTDMUJJDDEO-UHFFFAOYSA-N -1 0 409.316 3.058 50 0 HGAARM CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2O)cc1 ZINC000007200360 569228397 /nfs/dbraw/zinc/22/83/97/569228397.db2.gz HGDDYCQUWXGKGV-UHFFFAOYSA-N -1 0 404.850 3.323 50 0 HGAARM O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000007325553 569233595 /nfs/dbraw/zinc/23/35/95/569233595.db2.gz YFELAMPWGDVQQR-UHFFFAOYSA-N -1 0 400.378 3.278 50 0 HGAARM Cc1nc(-c2ccsc2)ccc1C(=O)NCCN1c2ccccc2[N-]S1(=O)=O ZINC000170601727 569243273 /nfs/dbraw/zinc/24/32/73/569243273.db2.gz HTMHVBWTBOYHKJ-UHFFFAOYSA-N -1 0 414.512 3.025 50 0 HGAARM Cc1cc([O-])c(C2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2)c(=O)o1 ZINC000170625864 569250263 /nfs/dbraw/zinc/25/02/63/569250263.db2.gz WJQYVGYJOBDDMB-CYBMUJFWSA-N -1 0 401.220 3.122 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)cc1C ZINC000009881829 569251332 /nfs/dbraw/zinc/25/13/32/569251332.db2.gz FFWHEBPJWCLEEC-UHFFFAOYSA-N -1 0 414.483 3.323 50 0 HGAARM CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)/C=C(/C)C(=O)[O-])cc1 ZINC000013579296 569256505 /nfs/dbraw/zinc/25/65/05/569256505.db2.gz KRXRLHVBJXZLRH-QINSGFPZSA-N -1 0 424.453 3.322 50 0 HGAARM CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)[O-])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000013608926 569256684 /nfs/dbraw/zinc/25/66/84/569256684.db2.gz CANCTKXGRVNXFP-OAHLLOKOSA-N -1 0 416.474 3.043 50 0 in-vivo HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000001078757 569277243 /nfs/dbraw/zinc/27/72/43/569277243.db2.gz YIZDUZHTHJBJQQ-UHFFFAOYSA-N -1 0 424.478 3.131 50 0 HGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Br)s2)CC1 ZINC000025758258 569283751 /nfs/dbraw/zinc/28/37/51/569283751.db2.gz BBLGSHWBWMCIJL-GFCCVEGCSA-N -1 0 405.314 3.189 50 0 HGAARM Cc1cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002115246 569284645 /nfs/dbraw/zinc/28/46/45/569284645.db2.gz URQIILWNBLGRRJ-YOEHRIQHSA-N -1 0 415.486 3.363 50 0 biogenic HGAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000007729052 569303466 /nfs/dbraw/zinc/30/34/66/569303466.db2.gz JPSQNBBTPRCNJG-UHFFFAOYSA-N -1 0 411.361 3.390 50 0 HGAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000007728518 569303677 /nfs/dbraw/zinc/30/36/77/569303677.db2.gz JNOGHNPXZVHORF-SFHVURJKSA-N -1 0 414.527 3.275 50 0 HGAARM O=C([O-])CCC(=O)Nc1ccccc1OS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000007783358 569310212 /nfs/dbraw/zinc/31/02/12/569310212.db2.gz VSRGIYLRQGUEQH-UHFFFAOYSA-N -1 0 401.440 3.186 50 0 HGAARM CCOC(=O)c1sc(NC(=O)c2ccccc2C(=O)[O-])c(C(=O)OCC)c1C ZINC000002216826 569311298 /nfs/dbraw/zinc/31/12/98/569311298.db2.gz GMQIBMQWNBVSBS-UHFFFAOYSA-N -1 0 405.428 3.360 50 0 HGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2oc1=O ZINC000252695055 569320273 /nfs/dbraw/zinc/32/02/73/569320273.db2.gz UIEDXWDNSUSTHH-BZUAXINKSA-N -1 0 401.459 3.184 50 0 biogenic HGAARM O=C([O-])CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000002249296 569324507 /nfs/dbraw/zinc/32/45/07/569324507.db2.gz KGDURUZPHDAMOE-KRWDZBQOSA-N -1 0 407.405 3.277 50 0 HGAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000038677501 571060754 /nfs/dbraw/zinc/06/07/54/571060754.db2.gz AAMCZTVUCRXDFH-UHFFFAOYSA-N -1 0 416.528 3.482 50 0 HGAARM O=C(c1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c[nH]1)N1CCCC1 ZINC000040074754 571154677 /nfs/dbraw/zinc/15/46/77/571154677.db2.gz ZBWCJWVYPKPGOJ-UHFFFAOYSA-N -1 0 400.460 3.070 50 0 HGAARM CCC(Nc1ccc(OC)cc1OC)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000009111135 571223109 /nfs/dbraw/zinc/22/31/09/571223109.db2.gz JURSWXLAPRCPEO-OBGWFSINSA-N -1 0 401.463 3.191 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000009152005 571230779 /nfs/dbraw/zinc/23/07/79/571230779.db2.gz AUACIWFHDVYBGC-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000009153254 571231409 /nfs/dbraw/zinc/23/14/09/571231409.db2.gz MDAVXQIYAMXERI-UHFFFAOYSA-N -1 0 413.480 3.049 50 0 HGAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1cccc(Br)c1 ZINC000009464897 571260764 /nfs/dbraw/zinc/26/07/64/571260764.db2.gz WYKNZNQOLPNFTB-UHFFFAOYSA-N -1 0 413.684 3.484 50 0 HGAARM COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530227 571266748 /nfs/dbraw/zinc/26/67/48/571266748.db2.gz LRDQLWCKVYTIFT-UHFFFAOYSA-N -1 0 411.892 3.191 50 0 HGAARM CS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)nn1 ZINC000009572685 571269225 /nfs/dbraw/zinc/26/92/25/571269225.db2.gz IMRLFWDRZGHJMX-UHFFFAOYSA-N -1 0 423.903 3.001 50 0 HGAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1cccc(Br)c1)N(C)C2=O ZINC000009776749 571285016 /nfs/dbraw/zinc/28/50/16/571285016.db2.gz YURSJHBAUCGMAX-SJORKVTESA-N -1 0 420.259 3.461 50 0 HGAARM COc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009828713 571287037 /nfs/dbraw/zinc/28/70/37/571287037.db2.gz RRZSIUJDIZRAIW-UHFFFAOYSA-N -1 0 403.485 3.134 50 0 HGAARM CC(C)Cc1sc(NC(=O)CCC(=O)Nc2cccc3[nH]ccc32)nc1C(=O)[O-] ZINC000095472499 571305588 /nfs/dbraw/zinc/30/55/88/571305588.db2.gz VZFWOQBSZXKDCM-UHFFFAOYSA-N -1 0 414.487 3.879 50 0 HGAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cs1 ZINC000024842969 571309891 /nfs/dbraw/zinc/30/98/91/571309891.db2.gz HYTPWCKEPDGKKZ-UHFFFAOYSA-N -1 0 413.830 3.368 50 0 HGAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1=O ZINC000004335137 132275650 /nfs/dbraw/zinc/27/56/50/132275650.db2.gz JSSFAJRBEFSZNO-KRWDZBQOSA-N -1 0 411.483 3.194 50 0 HGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)cc2Br)C[C@H]1C(=O)[O-] ZINC000042783186 518818255 /nfs/dbraw/zinc/81/82/55/518818255.db2.gz JVZAIVJFUOYSSF-JQWIXIFHSA-N -1 0 404.232 3.430 50 0 HGAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c(C)c1 ZINC000020574761 520920926 /nfs/dbraw/zinc/92/09/26/520920926.db2.gz JNDQZUALRPAGOE-UHFFFAOYSA-N -1 0 418.544 3.454 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C)c2)CC1 ZINC000032946904 520962485 /nfs/dbraw/zinc/96/24/85/520962485.db2.gz TVYPRVQRNZMAJN-UHFFFAOYSA-N -1 0 411.458 3.224 50 0 HGAARM COc1cc(OC)cc([C@@H]2c3nc[nH]c3CCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000040309594 522882195 /nfs/dbraw/zinc/88/21/95/522882195.db2.gz MVSCJKXYSXVYJS-HXUWFJFHSA-N -1 0 422.441 3.305 50 0 biogenic HGAARM Cc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)[O-])cc2NS(C)(=O)=O)CC1 ZINC000032961873 524738145 /nfs/dbraw/zinc/73/81/45/524738145.db2.gz BSCCGWTXQZSMGG-UHFFFAOYSA-N -1 0 423.922 3.045 50 0 HGAARM Cc1c2c(cc(=O)n1CCc1ccc(O)cc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000030822913 525932195 /nfs/dbraw/zinc/93/21/95/525932195.db2.gz SBOIRJVELJQAJA-UHFFFAOYSA-N -1 0 418.478 3.347 50 0 HGAARM Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000032610395 526283066 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HGAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000001196237 557237683 /nfs/dbraw/zinc/23/76/83/557237683.db2.gz QEVSGXOQQRQHPK-UHFFFAOYSA-N -1 0 424.478 3.424 50 0 HGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)NC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000002554983 557355986 /nfs/dbraw/zinc/35/59/86/557355986.db2.gz YMGDQLXBNMRJMR-OAHLLOKOSA-N -1 0 412.442 3.366 50 0 HGAARM CCCC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003878018 557502044 /nfs/dbraw/zinc/50/20/44/557502044.db2.gz HYFDMZDXRWRUQG-LBPRGKRZSA-N -1 0 412.726 3.284 50 0 HGAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000004108080 557514455 /nfs/dbraw/zinc/51/44/55/557514455.db2.gz XBPHOHHTAHAEAX-OAHLLOKOSA-N -1 0 418.858 3.042 50 0 HGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000004133985 557518334 /nfs/dbraw/zinc/51/83/34/557518334.db2.gz NYSTXURAOWURQL-RTBURBONSA-N -1 0 407.422 3.332 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000004133977 557518367 /nfs/dbraw/zinc/51/83/67/557518367.db2.gz NYSTXURAOWURQL-MOPGFXCFSA-N -1 0 407.422 3.332 50 0 HGAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000004536236 557564496 /nfs/dbraw/zinc/56/44/96/557564496.db2.gz VJGGHXVGBSZVMZ-QIZQQNKQSA-N -1 0 424.921 3.195 50 0 in-man HGAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000004742369 557591187 /nfs/dbraw/zinc/59/11/87/557591187.db2.gz XYFGEOOBCCXIQP-MRXNPFEDSA-N -1 0 408.545 3.049 50 0 HGAARM O=C([O-])c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000004803010 557598989 /nfs/dbraw/zinc/59/89/89/557598989.db2.gz NRNUJTXXYPHQIO-OQLLNIDSSA-N -1 0 401.216 3.240 50 0 HGAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c(OC)c1OC ZINC000005488479 557657349 /nfs/dbraw/zinc/65/73/49/557657349.db2.gz SPVDGHGZUITBBQ-MRXNPFEDSA-N -1 0 405.472 3.347 50 0 HGAARM Cc1c(C(=O)N(C)C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002760203 557758443 /nfs/dbraw/zinc/75/84/43/557758443.db2.gz GZICANRPHQGORW-OLZOCXBDSA-N -1 0 424.519 3.153 50 0 HGAARM Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3ccc(Br)s3)n2)cc1 ZINC000002776737 557760829 /nfs/dbraw/zinc/76/08/29/557760829.db2.gz ITPPQZOOKRKNFP-UHFFFAOYSA-N -1 0 413.322 3.260 50 0 HGAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000002804853 557763597 /nfs/dbraw/zinc/76/35/97/557763597.db2.gz QRJSFXTWGUYOQD-UHFFFAOYSA-N -1 0 414.318 3.389 50 0 HGAARM COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000008385987 557785425 /nfs/dbraw/zinc/78/54/25/557785425.db2.gz GSFXSFLLWNKGBG-IOASZLSFSA-N -1 0 416.446 3.026 50 0 HGAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)c1C ZINC000022835214 557835011 /nfs/dbraw/zinc/83/50/11/557835011.db2.gz HIYGEAJSDGKLGW-UHFFFAOYSA-N -1 0 412.471 3.007 50 0 HGAARM CCCCOc1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019878592 558300271 /nfs/dbraw/zinc/30/02/71/558300271.db2.gz UUIUFWIVXOJINC-MRXNPFEDSA-N -1 0 400.456 3.383 50 0 HGAARM CCOC(=O)[C@]([N-]c1cc(C(F)(F)F)ccc1OC)(NC(=O)CC)C(F)(F)F ZINC000012418325 558402762 /nfs/dbraw/zinc/40/27/62/558402762.db2.gz YAMBZRYJSFHIAQ-AWEZNQCLSA-N -1 0 416.318 3.474 50 0 HGAARM O=C([O-])Cc1csc(SCC(=O)NCc2ccccc2OC(F)(F)F)n1 ZINC000012925390 558486321 /nfs/dbraw/zinc/48/63/21/558486321.db2.gz FTSSMWTWBOWNNE-UHFFFAOYSA-N -1 0 406.407 3.077 50 0 HGAARM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000013758321 558590819 /nfs/dbraw/zinc/59/08/19/558590819.db2.gz GIRNNZHTRKWVQL-PWRODBHTSA-N -1 0 414.417 3.436 50 0 HGAARM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000024375254 558596383 /nfs/dbraw/zinc/59/63/83/558596383.db2.gz XRVYTZXWROKZKF-UHFFFAOYSA-N -1 0 422.553 3.466 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1C ZINC000004483851 558603096 /nfs/dbraw/zinc/60/30/96/558603096.db2.gz GUUNSHSFGBFERA-NHCUHLMSSA-N -1 0 419.485 3.359 50 0 HGAARM O=C([O-])c1cc(S(=O)(=O)N2CCS[C@@H](c3cccs3)CC2)ccc1F ZINC000219557000 558616220 /nfs/dbraw/zinc/61/62/20/558616220.db2.gz VMYUDMOHOZDYPA-OAHLLOKOSA-N -1 0 401.506 3.454 50 0 HGAARM COc1ccc(-c2nonc2[N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000027663042 558678567 /nfs/dbraw/zinc/67/85/67/558678567.db2.gz MLISKYUIALJWHO-UHFFFAOYSA-N -1 0 420.381 3.424 50 0 HGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)c1C ZINC000015890432 558760918 /nfs/dbraw/zinc/76/09/18/558760918.db2.gz DCPQGYNXPLCJIZ-UHFFFAOYSA-N -1 0 412.682 3.401 50 0 HGAARM Cc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CCCC2 ZINC000017082393 558814432 /nfs/dbraw/zinc/81/44/32/558814432.db2.gz PUFXYOVLVMYLQQ-UHFFFAOYSA-N -1 0 402.472 3.227 50 0 HGAARM CC(C)NC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000017088572 558817333 /nfs/dbraw/zinc/81/73/33/558817333.db2.gz UFWODAJKSOFNSB-GFCCVEGCSA-N -1 0 410.536 3.077 50 0 HGAARM Cc1cc(C)cc(CSCC(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)c1 ZINC000072431061 558979454 /nfs/dbraw/zinc/97/94/54/558979454.db2.gz NWRVWVQDSVEANL-UHFFFAOYSA-N -1 0 401.532 3.183 50 0 HGAARM Cc1cc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)ccc1Br ZINC000023125730 559013776 /nfs/dbraw/zinc/01/37/76/559013776.db2.gz ILDGNJMSYRLJCN-HUUCEWRRSA-N -1 0 403.211 3.394 50 0 HGAARM O=C([O-])c1c(I)cc(Cl)cc1I ZINC000095910967 559088921 /nfs/dbraw/zinc/08/89/21/559088921.db2.gz MAIAKPXUTVUMHR-UHFFFAOYSA-N -1 0 408.360 3.247 50 0 HGAARM Cc1cc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)n(-c2ccccc2)n1 ZINC000100298288 559133892 /nfs/dbraw/zinc/13/38/92/559133892.db2.gz XGVQPGMMAQGDMK-UHFFFAOYSA-N -1 0 400.438 3.400 50 0 HGAARM CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccccc4Cl)C3=C2[O-])cc1 ZINC000103132607 559154814 /nfs/dbraw/zinc/15/48/14/559154814.db2.gz BXUMKEUQRSWZDZ-MJGOQNOKSA-N -1 0 411.845 3.062 50 0 HGAARM COC(=O)C[C@@H](c1c(=O)nc2ccc(Cl)cn2c1[O-])C1=Cc2ccccc2OC1 ZINC000205952672 559186772 /nfs/dbraw/zinc/18/67/72/559186772.db2.gz DGUZBSDOGWSWAT-OAHLLOKOSA-N -1 0 412.829 3.176 50 0 HGAARM O=C(Nc1cccc(I)c1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000100451062 559202857 /nfs/dbraw/zinc/20/28/57/559202857.db2.gz DRPLODYUTGFBLU-BUHFOSPRSA-N -1 0 406.179 3.151 50 0 HGAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578156 559259073 /nfs/dbraw/zinc/25/90/73/559259073.db2.gz MLTNTIGSUWUKQK-INIZCTEOSA-N -1 0 407.490 3.064 50 0 HGAARM Cc1cc(C)n2nc(C(=O)[N-]c3nnc(SCc4ccc(F)cc4)s3)nc2n1 ZINC000002630646 560586411 /nfs/dbraw/zinc/58/64/11/560586411.db2.gz SQXMBUJGLQLXLH-UHFFFAOYSA-N -1 0 415.479 3.276 50 0 HGAARM Cc1nnc2ccc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4F)cc3)nn12 ZINC000005150895 560624399 /nfs/dbraw/zinc/62/43/99/560624399.db2.gz PAKGZUJYALBTKC-UHFFFAOYSA-N -1 0 401.398 3.179 50 0 HGAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NC[C@H]4CCCO4)c(Cl)c1=O)(C3)C2 ZINC000104070075 560732201 /nfs/dbraw/zinc/73/22/01/560732201.db2.gz DVBMTEUIDSJCBO-VNTAWAQOSA-N -1 0 421.925 3.258 50 0 HGAARM COc1cc(CO)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000004364932 560735392 /nfs/dbraw/zinc/73/53/92/560735392.db2.gz IWAOPIPUKASZNB-UHFFFAOYSA-N -1 0 414.195 3.069 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1 ZINC000011693247 560773572 /nfs/dbraw/zinc/77/35/72/560773572.db2.gz URGQIMHYCSJKFX-UHFFFAOYSA-N -1 0 407.448 3.344 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168465 560787548 /nfs/dbraw/zinc/78/75/48/560787548.db2.gz LNSJSJPJXKGNAU-UXHICEINSA-N -1 0 405.458 3.050 50 0 HGAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)n1 ZINC000101262295 560789962 /nfs/dbraw/zinc/78/99/62/560789962.db2.gz JQTMNOFDAHXYPY-IAGOWNOFSA-N -1 0 422.832 3.192 50 0 HGAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cccc(F)c3)c([O-])c3cccnc32)c1 ZINC000101722210 560798717 /nfs/dbraw/zinc/79/87/17/560798717.db2.gz PBSVURZQHNTVKC-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM COc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101723173 560799140 /nfs/dbraw/zinc/79/91/40/560799140.db2.gz OWTUCNUSWNBMNL-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM COc1cccc(CNC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)c1 ZINC000101723485 560799194 /nfs/dbraw/zinc/79/91/94/560799194.db2.gz GYTRQAXPMDCIAN-UHFFFAOYSA-N -1 0 401.422 3.030 50 0 HGAARM CC(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1 ZINC000101762673 560800785 /nfs/dbraw/zinc/80/07/85/560800785.db2.gz ANNCBTOIZUWORJ-KRWDZBQOSA-N -1 0 424.888 3.447 50 0 HGAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(C)cc2)cc1 ZINC000101802364 560802096 /nfs/dbraw/zinc/80/20/96/560802096.db2.gz ANKYOIYALLKFRV-UHFFFAOYSA-N -1 0 417.469 3.280 50 0 HGAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccc(C)cc1 ZINC000101803556 560802279 /nfs/dbraw/zinc/80/22/79/560802279.db2.gz KKZHIGFLBUZCPF-UHFFFAOYSA-N -1 0 417.469 3.280 50 0 HGAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)N1CCOCC1 ZINC000101831408 560802926 /nfs/dbraw/zinc/80/29/26/560802926.db2.gz XEBRYKXLZKKSQA-UHFFFAOYSA-N -1 0 418.906 3.065 50 0 HGAARM CCOc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000013345415 560804796 /nfs/dbraw/zinc/80/47/96/560804796.db2.gz BPSZQHRQGMYJGC-UHFFFAOYSA-N -1 0 400.250 3.347 50 0 HGAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000102721078 560821428 /nfs/dbraw/zinc/82/14/28/560821428.db2.gz JXUYGVUCRYINGY-CQSZACIVSA-N -1 0 404.451 3.131 50 0 HGAARM COc1ccc(OC)c([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4)cnn32)c1 ZINC000102820720 560829553 /nfs/dbraw/zinc/82/95/53/560829553.db2.gz IQLHNYNTGMQWPP-SFHVURJKSA-N -1 0 420.425 3.136 50 0 HGAARM C[C@@H]1C[C@@H](C)CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)C1 ZINC000103587709 560843599 /nfs/dbraw/zinc/84/35/99/560843599.db2.gz AAXBSSVTJANDHI-NUJGCVRESA-N -1 0 406.573 3.142 50 0 HGAARM CN1C(=O)N[C@H](c2cccc(F)c2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139923 560890049 /nfs/dbraw/zinc/89/00/49/560890049.db2.gz RKDPVVPQUMMOQU-WOSRLPQWSA-N -1 0 402.369 3.333 50 0 HGAARM COc1ccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000049003327 568446456 /nfs/dbraw/zinc/44/64/56/568446456.db2.gz IKOWIBQAOAICMT-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)c(O)c2)CC(=O)N3)c1 ZINC000049543337 568451125 /nfs/dbraw/zinc/45/11/25/568451125.db2.gz JAELFIMQFPEQAE-HNNXBMFYSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)cc1C ZINC000113562935 568453003 /nfs/dbraw/zinc/45/30/03/568453003.db2.gz PJCQVKWQDNRWSX-QZEKMECESA-N -1 0 424.478 3.307 50 0 HGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000022226913 568477181 /nfs/dbraw/zinc/47/71/81/568477181.db2.gz WMUNCTRUHBQQOO-UHFFFAOYSA-N -1 0 404.879 3.115 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1C ZINC000000802874 568485187 /nfs/dbraw/zinc/48/51/87/568485187.db2.gz JBONSJDJLINBGH-UHFFFAOYSA-N -1 0 400.456 3.327 50 0 HGAARM O=C([O-])c1cc(C(=O)NCc2cc(Br)ccc2F)n(-c2ccccc2)n1 ZINC000095424306 568607564 /nfs/dbraw/zinc/60/75/64/568607564.db2.gz PAKSPBQXGQRIGE-UHFFFAOYSA-N -1 0 418.222 3.402 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1 ZINC000021033368 568659505 /nfs/dbraw/zinc/65/95/05/568659505.db2.gz VDUCOZFDSRZZJL-UHFFFAOYSA-N -1 0 402.428 3.246 50 0 HGAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000095969921 568671344 /nfs/dbraw/zinc/67/13/44/568671344.db2.gz MVBPDKUCNKECAJ-HXUWFJFHSA-N -1 0 405.454 3.096 50 0 HGAARM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000095989446 568677283 /nfs/dbraw/zinc/67/72/83/568677283.db2.gz GEYWUCAXHNODJI-CYBMUJFWSA-N -1 0 413.421 3.436 50 0 HGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N[C@@H](C)c1ccccc1)c2=O ZINC000012415889 568718007 /nfs/dbraw/zinc/71/80/07/568718007.db2.gz RHTTVYYUJZYLJH-ZDUSSCGKSA-N -1 0 411.483 3.113 50 0 HGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NC1CCCCC1)c2=O ZINC000012415895 568718046 /nfs/dbraw/zinc/71/80/46/568718046.db2.gz SJKXHBSJPJOSKH-UHFFFAOYSA-N -1 0 403.504 3.075 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1C ZINC000096286237 568719197 /nfs/dbraw/zinc/71/91/97/568719197.db2.gz JUSHDLQADJKNTH-SFTDATJTSA-N -1 0 419.485 3.359 50 0 HGAARM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000685944921 568722741 /nfs/dbraw/zinc/72/27/41/568722741.db2.gz IGQNDNHOEVYVSD-HZPDHXFCSA-N -1 0 422.481 3.237 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000096361156 568739027 /nfs/dbraw/zinc/73/90/27/568739027.db2.gz DZMXRNUNUDIJMM-UHFFFAOYSA-N -1 0 406.851 3.125 50 0 HGAARM C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000015043760 568748386 /nfs/dbraw/zinc/74/83/86/568748386.db2.gz YHUZNBCTZHINTR-HZPDHXFCSA-N -1 0 413.493 3.448 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000000942416 568753520 /nfs/dbraw/zinc/75/35/20/568753520.db2.gz XGNQZJHAPLDZNJ-UHFFFAOYSA-N -1 0 400.435 3.286 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)s1 ZINC000000942415 568753561 /nfs/dbraw/zinc/75/35/61/568753561.db2.gz RNRXKRXRMMXRSM-UHFFFAOYSA-N -1 0 406.464 3.293 50 0 HGAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253497474 568754211 /nfs/dbraw/zinc/75/42/11/568754211.db2.gz BHQCQFFYRZLCQQ-FMNDBTGQSA-N -1 0 408.579 3.449 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)no1 ZINC000000947848 568754637 /nfs/dbraw/zinc/75/46/37/568754637.db2.gz LDGHFXCHVBFRQE-UHFFFAOYSA-N -1 0 400.460 3.102 50 0 HGAARM CCOC(=O)[C@H](C)Nc1cc(OC)c(C([O-])(C(F)(F)F)C(F)(F)F)cc1OC ZINC000096564387 568760760 /nfs/dbraw/zinc/76/07/60/568760760.db2.gz AXYNIRLDSIPCBM-QMMMGPOBSA-N -1 0 419.318 3.380 50 0 HGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCC1 ZINC000022021502 568764349 /nfs/dbraw/zinc/76/43/49/568764349.db2.gz HGIYHPBFAJIEAZ-UHFFFAOYSA-N -1 0 408.501 3.008 50 0 HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)s1 ZINC000001056534 568764434 /nfs/dbraw/zinc/76/44/34/568764434.db2.gz FFNICCBNGQISLL-UHFFFAOYSA-N -1 0 402.501 3.083 50 0 HGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(Br)cc1 ZINC000001165989 568775744 /nfs/dbraw/zinc/77/57/44/568775744.db2.gz DYWMUHUJXZYYSC-RIYZIHGNSA-N -1 0 403.232 3.217 50 0 HGAARM CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N-]S(=O)(=O)c1cccs1 ZINC000029433457 568825256 /nfs/dbraw/zinc/82/52/56/568825256.db2.gz ZGZNDEBOQSIOEE-UHFFFAOYSA-N -1 0 414.452 3.274 50 0 HGAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000001210804 568825866 /nfs/dbraw/zinc/82/58/66/568825866.db2.gz LRESXRWKLNWOGX-HXUWFJFHSA-N -1 0 404.422 3.070 50 0 biogenic HGAARM O=C(NCc1cccs1)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000002970843 568831756 /nfs/dbraw/zinc/83/17/56/568831756.db2.gz ZYPOSWILAYXZLG-ZDUSSCGKSA-N -1 0 401.513 3.230 50 0 HGAARM O=C(NC[C@@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002971987 568831951 /nfs/dbraw/zinc/83/19/51/568831951.db2.gz OOFZCOFFHHWNQG-GPANFISMSA-N -1 0 401.532 3.161 50 0 HGAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NCCc1ccccc1 ZINC000012536316 568845825 /nfs/dbraw/zinc/84/58/25/568845825.db2.gz OSSJRDSFRBCVNF-UHFFFAOYSA-N -1 0 400.525 3.450 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000012544923 568850094 /nfs/dbraw/zinc/85/00/94/568850094.db2.gz CTSYGHYHSPRNRU-NRFANRHFSA-N -1 0 424.478 3.438 50 0 HGAARM CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cnc21 ZINC000003381548 568857712 /nfs/dbraw/zinc/85/77/12/568857712.db2.gz MVCBJDBSKALRKC-UHFFFAOYSA-N -1 0 408.241 3.128 50 0 HGAARM Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2nccs2)C3=O)c(C(=O)[O-])c1 ZINC000003154432 568858617 /nfs/dbraw/zinc/85/86/17/568858617.db2.gz FGYCBDWELXTGMO-UHFFFAOYSA-N -1 0 407.407 3.203 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000299804159 568876942 /nfs/dbraw/zinc/87/69/42/568876942.db2.gz DKPMWHFRUGMUKF-OMKHAGAYSA-N -1 0 408.579 3.449 50 0 HGAARM COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000003444588 568904329 /nfs/dbraw/zinc/90/43/29/568904329.db2.gz PVYFQJPDJAWXDZ-UHFFFAOYSA-N -1 0 415.500 3.095 50 0 HGAARM C[C@H](CC(=O)NCCc1ccc(Cl)cc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004148394 568916627 /nfs/dbraw/zinc/91/66/27/568916627.db2.gz MQPQOMUYDCTQOD-AWEZNQCLSA-N -1 0 419.934 3.437 50 0 HGAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)C1 ZINC000031818459 568932673 /nfs/dbraw/zinc/93/26/73/568932673.db2.gz JTIIMYXIPJVYIM-RDXCRGQUSA-N -1 0 401.463 3.075 50 0 HGAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000008105735 568973811 /nfs/dbraw/zinc/97/38/11/568973811.db2.gz SWWPRASYSLGRGU-UHFFFAOYSA-N -1 0 402.241 3.406 50 0 HGAARM COc1c(Br)cc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012752669 568941909 /nfs/dbraw/zinc/94/19/09/568941909.db2.gz WZWYGZGBEXHTCT-UHFFFAOYSA-N -1 0 418.240 3.169 50 0 HGAARM Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)N(C)CCOc1ccccc1F ZINC000012753574 568941922 /nfs/dbraw/zinc/94/19/22/568941922.db2.gz GPFDRYMAKNQTGN-UHFFFAOYSA-N -1 0 415.437 3.414 50 0 HGAARM O=C(NCc1nc2ccccc2[nH]1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000084585235 568951499 /nfs/dbraw/zinc/95/14/99/568951499.db2.gz UZLGIUZEVZQRGL-UHFFFAOYSA-N -1 0 412.496 3.355 50 0 HGAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1cccc(Cl)c1 ZINC000008381984 568996183 /nfs/dbraw/zinc/99/61/83/568996183.db2.gz LULSTIQEAHVZKF-INIZCTEOSA-N -1 0 412.902 3.104 50 0 HGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)CC)CCC3)s1 ZINC000015781502 569002738 /nfs/dbraw/zinc/00/27/38/569002738.db2.gz OCAFLSYOLXHBCE-UHFFFAOYSA-N -1 0 414.574 3.214 50 0 HGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2s1 ZINC000015862012 569015740 /nfs/dbraw/zinc/01/57/40/569015740.db2.gz VYAMNEGXFYPWAR-UHFFFAOYSA-N -1 0 415.500 3.115 50 0 HGAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000035397268 569034880 /nfs/dbraw/zinc/03/48/80/569034880.db2.gz PDBLBIZWTULZIY-UHFFFAOYSA-N -1 0 407.492 3.216 50 0 HGAARM CCc1ccc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397337 569034904 /nfs/dbraw/zinc/03/49/04/569034904.db2.gz GQRADGPFJPGDBR-UHFFFAOYSA-N -1 0 403.504 3.379 50 0 HGAARM CCN(CC)c1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000035397650 569034928 /nfs/dbraw/zinc/03/49/28/569034928.db2.gz OYLSCLHXDLKHSI-UHFFFAOYSA-N -1 0 403.504 3.306 50 0 HGAARM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000006316196 569040291 /nfs/dbraw/zinc/04/02/91/569040291.db2.gz PVBJSPGOIMBVGF-UHFFFAOYSA-N -1 0 403.685 3.263 50 0 HGAARM Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)n1 ZINC000102575193 569040231 /nfs/dbraw/zinc/04/02/31/569040231.db2.gz PVZCMRCDUGIHTQ-PDGQHHTCSA-N -1 0 415.405 3.434 50 0 HGAARM CC(C)C(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001786999 569052982 /nfs/dbraw/zinc/05/29/82/569052982.db2.gz PPTQMIQRBWOHHQ-GFCCVEGCSA-N -1 0 412.726 3.140 50 0 HGAARM CSC[C@](C)(O)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000242100118 569054952 /nfs/dbraw/zinc/05/49/52/569054952.db2.gz WELGKKKNNIEJAS-OAHLLOKOSA-N -1 0 419.728 3.200 50 0 HGAARM CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000006490173 569059688 /nfs/dbraw/zinc/05/96/88/569059688.db2.gz WWVJEBKTKXRNGN-PCHAPFSGSA-N -1 0 416.522 3.041 50 0 HGAARM CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(F)cc1 ZINC000252638732 569061064 /nfs/dbraw/zinc/06/10/64/569061064.db2.gz YFDHIXXQMNCIFD-HNNXBMFYSA-N -1 0 401.419 3.114 50 0 HGAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000012382144 569061509 /nfs/dbraw/zinc/06/15/09/569061509.db2.gz UPOAYKDDCLJQND-SSUIOBEFSA-N -1 0 410.470 3.082 50 0 biogenic HGAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccc(Cl)cc1 ZINC000064580128 569068383 /nfs/dbraw/zinc/06/83/83/569068383.db2.gz QUGUUBLCTXVIHC-UHFFFAOYSA-N -1 0 423.860 3.235 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3Cl)c2C)s1 ZINC000089545021 569070081 /nfs/dbraw/zinc/07/00/81/569070081.db2.gz GBHZWYVOKZWTOK-UHFFFAOYSA-N -1 0 411.892 3.483 50 0 HGAARM CCS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000006623236 569075038 /nfs/dbraw/zinc/07/50/38/569075038.db2.gz FTFQTGLOUXTQFU-UHFFFAOYSA-N -1 0 409.407 3.005 50 0 HGAARM O=C([O-])Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)cc1 ZINC000064775546 569093515 /nfs/dbraw/zinc/09/35/15/569093515.db2.gz BRJHQVOQDFMSSH-INIZCTEOSA-N -1 0 416.433 3.167 50 0 HGAARM COc1cccc(-c2nc(CC(=O)NCc3ccc(C(=O)[O-])cc3)cs2)c1OC ZINC000036353966 569147934 /nfs/dbraw/zinc/14/79/34/569147934.db2.gz ROVAONLZXKNSNU-UHFFFAOYSA-N -1 0 412.467 3.384 50 0 HGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)s1 ZINC000065183779 569191062 /nfs/dbraw/zinc/19/10/62/569191062.db2.gz MDBDQHNCWILVIX-UHFFFAOYSA-N -1 0 406.411 3.361 50 0 HGAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(C(C)=O)c2)n1 ZINC000065194569 569192842 /nfs/dbraw/zinc/19/28/42/569192842.db2.gz QZESCRRTVPFLHT-UHFFFAOYSA-N -1 0 402.476 3.258 50 0 HGAARM O=C(Nc1cc(F)ccc1F)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249955 569205996 /nfs/dbraw/zinc/20/59/96/569205996.db2.gz CJKMLDLFKJXJSX-UHFFFAOYSA-N -1 0 400.316 3.089 50 0 HGAARM O=c1[nH]c2c(cnn2Cc2ccccc2)c([O-])c1-c1nc(-c2ccccc2F)no1 ZINC000065256928 569208588 /nfs/dbraw/zinc/20/85/88/569208588.db2.gz KRAPGOASJPXUGX-UHFFFAOYSA-N -1 0 403.373 3.335 50 0 HGAARM O=C([O-])c1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1 ZINC000013122369 569211216 /nfs/dbraw/zinc/21/12/16/569211216.db2.gz ZEFIDGGKMGCFDD-XDHOZWIPSA-N -1 0 405.385 3.408 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1OC ZINC000007056308 569214465 /nfs/dbraw/zinc/21/44/65/569214465.db2.gz AYTBCSWNTHRWLF-UHFFFAOYSA-N -1 0 402.266 3.276 50 0 HGAARM CCC[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000170592176 569241063 /nfs/dbraw/zinc/24/10/63/569241063.db2.gz OSXQEYQWWAIKNY-OALUTQOASA-N -1 0 416.905 3.441 50 0 HGAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000013575729 569256190 /nfs/dbraw/zinc/25/61/90/569256190.db2.gz COUDXHGOZNEYRP-AQTBWJFISA-N -1 0 406.394 3.396 50 0 HGAARM Cc1cc(Cl)cc(NC(=O)COC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC000013579064 569256346 /nfs/dbraw/zinc/25/63/46/569256346.db2.gz XMGPHCUXWDJQQJ-UHFFFAOYSA-N -1 0 418.833 3.247 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002093476 569280616 /nfs/dbraw/zinc/28/06/16/569280616.db2.gz YJFDFURMBSVLEB-XOBRGWDASA-N -1 0 409.438 3.373 50 0 biogenic HGAARM Cc1c(OCC(=O)NCCCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002100798 569281403 /nfs/dbraw/zinc/28/14/03/569281403.db2.gz UOYRCTDQBSFTNI-UHFFFAOYSA-N -1 0 423.465 3.360 50 0 biogenic HGAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002110728 569284020 /nfs/dbraw/zinc/28/40/20/569284020.db2.gz GDAQWLSZIWQPJL-INIZCTEOSA-N -1 0 417.483 3.329 50 0 biogenic HGAARM CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000002115988 569284648 /nfs/dbraw/zinc/28/46/48/569284648.db2.gz SIFHZYJZURFFSS-OKPNHQCWSA-N -1 0 424.497 3.470 50 0 biogenic HGAARM CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)[O-])CC3)c12 ZINC000002123226 569285714 /nfs/dbraw/zinc/28/57/14/569285714.db2.gz AOSOHBROROWIHR-UHFFFAOYSA-N -1 0 401.459 3.146 50 0 biogenic HGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002155790 569290254 /nfs/dbraw/zinc/29/02/54/569290254.db2.gz NKZUWQCOEXYFLA-QRWLVFNGSA-N -1 0 423.465 3.325 50 0 biogenic HGAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000253530417 569382578 /nfs/dbraw/zinc/38/25/78/569382578.db2.gz BHQCQFFYRZLCQQ-WDERMIBLSA-N -1 0 408.579 3.449 50 0 biogenic HGAARM CCCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000013365586 569412182 /nfs/dbraw/zinc/41/21/82/569412182.db2.gz FEAPGNMGOJBXFI-UHFFFAOYSA-N -1 0 402.524 3.182 50 0 HGAARM CCCCn1c(=O)c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c([O-])[nH]c1=S ZINC000008914108 571150324 /nfs/dbraw/zinc/15/03/24/571150324.db2.gz BYYAVTYYLLWXRL-MOPGFXCFSA-N -1 0 421.522 3.455 50 0 HGAARM O=C([O-])[C@@H]1CC12CCN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)CC2 ZINC000069893338 571248670 /nfs/dbraw/zinc/24/86/70/571248670.db2.gz SWFSFKOXHRIQNI-INIZCTEOSA-N -1 0 422.319 3.211 50 0 HGAARM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009662175 571277719 /nfs/dbraw/zinc/27/77/19/571277719.db2.gz JPYXDFDXZLDDKM-UHFFFAOYSA-N -1 0 423.343 3.353 50 0 HGAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 ZINC000009684552 571279481 /nfs/dbraw/zinc/27/94/81/571279481.db2.gz QLMUPAKZWSTODQ-UHFFFAOYSA-N -1 0 405.520 3.457 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc1 ZINC000009684727 571279542 /nfs/dbraw/zinc/27/95/42/571279542.db2.gz ALULXTHYWVVZIU-UHFFFAOYSA-N -1 0 405.520 3.077 50 0 HGAARM COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1 ZINC000009685255 571279844 /nfs/dbraw/zinc/27/98/44/571279844.db2.gz MVTLHSPCWIKCFB-UHFFFAOYSA-N -1 0 419.547 3.468 50 0 HGAARM Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)n1C ZINC000009685229 571279882 /nfs/dbraw/zinc/27/98/82/571279882.db2.gz SSZBLXNGXGZICL-UHFFFAOYSA-N -1 0 419.547 3.039 50 0 HGAARM COc1cccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)c1 ZINC000009761982 571284623 /nfs/dbraw/zinc/28/46/23/571284623.db2.gz OSACDEPKSSOTNS-UHFFFAOYSA-N -1 0 411.892 3.191 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccccc3)cs2)cc1 ZINC000009828643 571287034 /nfs/dbraw/zinc/28/70/34/571287034.db2.gz FYCBDDWXWFUJJE-UHFFFAOYSA-N -1 0 403.485 3.134 50 0 HGAARM CN1c2ccccc2C([O-])=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O ZINC000004643807 132280719 /nfs/dbraw/zinc/28/07/19/132280719.db2.gz YAPXJVYLTJVLPU-UHFFFAOYSA-N -1 0 414.361 3.230 50 0 HGAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)c1 ZINC000006778759 132315655 /nfs/dbraw/zinc/31/56/55/132315655.db2.gz TVZJVRWCPREVHR-UHFFFAOYSA-N -1 0 420.487 3.030 50 0 HGAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)NN2)cc1 ZINC000008971982 132334369 /nfs/dbraw/zinc/33/43/69/132334369.db2.gz UEYBIVLSPUMTDT-KSPIOAOGSA-N -1 0 412.833 3.265 50 0 HGAARM Cc1nn(CC(C)C)c(Cl)c1/C=C1\c2ccccc2C(=O)N(CC(=O)[O-])C1=O ZINC000032741442 526272385 /nfs/dbraw/zinc/27/23/85/526272385.db2.gz JSKIFMCALFWYKO-LZYBPNLTSA-N -1 0 401.850 3.109 50 0 HGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1ccc2c1cccc2Br ZINC000040312847 526305921 /nfs/dbraw/zinc/30/59/21/526305921.db2.gz ZQGUAWAMPUIZAM-INIZCTEOSA-N -1 0 401.260 3.216 50 0 biogenic HGAARM O=C([O-])COC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl ZINC000044699349 527614294 /nfs/dbraw/zinc/61/42/94/527614294.db2.gz IDMXAVBMWGEQMW-UHFFFAOYSA-N -1 0 412.225 3.451 50 0 in-vitro HGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000000682330 557056220 /nfs/dbraw/zinc/05/62/20/557056220.db2.gz FZUQJIQUYGBWMS-UHFFFAOYSA-N -1 0 403.241 3.491 50 0 HGAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000000692899 557061196 /nfs/dbraw/zinc/06/11/96/557061196.db2.gz IBYDZOKZFLRYTH-UHFFFAOYSA-N -1 0 414.417 3.111 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000000754835 557076504 /nfs/dbraw/zinc/07/65/04/557076504.db2.gz MKSQLXANDIMHPR-UHFFFAOYSA-N -1 0 410.451 3.116 50 0 HGAARM CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000001003916 557140493 /nfs/dbraw/zinc/14/04/93/557140493.db2.gz QLFFGWSTOJENHR-OALUTQOASA-N -1 0 416.499 3.341 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001113246 557185129 /nfs/dbraw/zinc/18/51/29/557185129.db2.gz DYRABPIQBHGTAD-YCRREMRBSA-N -1 0 413.282 3.470 50 0 HGAARM CSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000001169075 557222740 /nfs/dbraw/zinc/22/27/40/557222740.db2.gz XZIYGIHBIYCJCD-GOSISDBHSA-N -1 0 408.439 3.403 50 0 HGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3Cl)cc2)c1C ZINC000002503085 557353101 /nfs/dbraw/zinc/35/31/01/557353101.db2.gz VGDDJWXUHLCDRK-UHFFFAOYSA-N -1 0 406.851 3.393 50 0 HGAARM CC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002555141 557356265 /nfs/dbraw/zinc/35/62/65/557356265.db2.gz HQLBYVWJOXITAM-NRFANRHFSA-N -1 0 410.470 3.285 50 0 HGAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000002665894 557365902 /nfs/dbraw/zinc/36/59/02/557365902.db2.gz CMYWNEMCPXYJPH-UHFFFAOYSA-N -1 0 412.471 3.319 50 0 HGAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034763316 557460610 /nfs/dbraw/zinc/46/06/10/557460610.db2.gz OVSUIXYCRHHBAW-UHFFFAOYSA-N -1 0 407.474 3.067 50 0 HGAARM CCCOc1cccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)c1 ZINC000034765352 557461859 /nfs/dbraw/zinc/46/18/59/557461859.db2.gz PBOINSLCXXDHHF-UHFFFAOYSA-N -1 0 422.485 3.161 50 0 HGAARM CCCCOc1ccc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[n-]2)cc1OC ZINC000034766833 557462382 /nfs/dbraw/zinc/46/23/82/557462382.db2.gz BHGHBQTZZTVXBQ-UHFFFAOYSA-N -1 0 414.506 3.423 50 0 HGAARM CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2nccnc2C(=O)[O-])s1 ZINC000004334501 557543110 /nfs/dbraw/zinc/54/31/10/557543110.db2.gz CGCYKKSFJUGNFM-UHFFFAOYSA-N -1 0 411.439 3.291 50 0 HGAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1O ZINC000004949435 557616299 /nfs/dbraw/zinc/61/62/99/557616299.db2.gz JSWIPTCAKADIAK-LIKPIUCQSA-N -1 0 411.413 3.487 50 0 HGAARM COc1ccc(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)cc1OC ZINC000005670939 557667602 /nfs/dbraw/zinc/66/76/02/557667602.db2.gz QRUKDLALZQSZGJ-QGZVFWFLSA-N -1 0 403.442 3.335 50 0 HGAARM COc1ccc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)c(OC)c1 ZINC000006736123 557718339 /nfs/dbraw/zinc/71/83/39/557718339.db2.gz SQBAENTVDPIHNY-SFHVURJKSA-N -1 0 403.442 3.335 50 0 HGAARM CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000007079359 557734806 /nfs/dbraw/zinc/73/48/06/557734806.db2.gz QLFFGWSTOJENHR-MOPGFXCFSA-N -1 0 416.499 3.341 50 0 HGAARM CCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002682868 557740136 /nfs/dbraw/zinc/74/01/36/557740136.db2.gz MVSMOZGSXFXETK-LBPRGKRZSA-N -1 0 412.726 3.284 50 0 HGAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2ccc(Cl)cc2)cc1Cl ZINC000002804729 557763570 /nfs/dbraw/zinc/76/35/70/557763570.db2.gz CEOFCTFNCSMBGN-UHFFFAOYSA-N -1 0 400.291 3.081 50 0 HGAARM CCn1ncc(S(=O)(=O)[N-]c2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1C ZINC000002804934 557763786 /nfs/dbraw/zinc/76/37/86/557763786.db2.gz OVFAERCMKXSHKC-UHFFFAOYSA-N -1 0 413.425 3.276 50 0 HGAARM COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C1=O ZINC000009323393 557837095 /nfs/dbraw/zinc/83/70/95/557837095.db2.gz AVUDJAKMBGLGFO-XREMMQICSA-N -1 0 420.668 3.406 50 0 HGAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022852236 557839890 /nfs/dbraw/zinc/83/98/90/557839890.db2.gz AXJLYNUJYQLCLG-OAHLLOKOSA-N -1 0 400.435 3.317 50 0 HGAARM CSCC[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)[O-] ZINC000011635073 558264765 /nfs/dbraw/zinc/26/47/65/558264765.db2.gz NKDDXNNITUYCGY-ZDUSSCGKSA-N -1 0 418.334 3.087 50 0 HGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000012648361 558443384 /nfs/dbraw/zinc/44/33/84/558443384.db2.gz UBHLDUJTRRPSSS-QGZVFWFLSA-N -1 0 406.479 3.403 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000012648357 558443463 /nfs/dbraw/zinc/44/34/63/558443463.db2.gz UBHLDUJTRRPSSS-KRWDZBQOSA-N -1 0 406.479 3.403 50 0 HGAARM CCCc1nnc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)n1CC(=O)[O-] ZINC000012983412 558494410 /nfs/dbraw/zinc/49/44/10/558494410.db2.gz MURMVCXJQRASHZ-HNNXBMFYSA-N -1 0 418.563 3.483 50 0 HGAARM Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)n1 ZINC000013165751 558525280 /nfs/dbraw/zinc/52/52/80/558525280.db2.gz PVZCMRCDUGIHTQ-LDADJPATSA-N -1 0 415.405 3.434 50 0 HGAARM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000013278969 558528584 /nfs/dbraw/zinc/52/85/84/558528584.db2.gz FRQXDFRXUKXWPE-UHFFFAOYSA-N -1 0 420.512 3.207 50 0 HGAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000023078174 558533485 /nfs/dbraw/zinc/53/34/85/558533485.db2.gz XWJPGLXJSJZMGO-GJZGRUSLSA-N -1 0 406.479 3.184 50 0 HGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000013624593 558550716 /nfs/dbraw/zinc/55/07/16/558550716.db2.gz KMUSENFXIGXTNP-UHFFFAOYSA-N -1 0 424.844 3.281 50 0 HGAARM CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191561 558563075 /nfs/dbraw/zinc/56/30/75/558563075.db2.gz PYCGQIUDLHLDIK-UHFFFAOYSA-N -1 0 412.471 3.306 50 0 HGAARM CC(C)c1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2[O-])s1 ZINC000013692185 558573746 /nfs/dbraw/zinc/57/37/46/558573746.db2.gz ZYMGCWKUTOITHN-UHFFFAOYSA-N -1 0 424.548 3.184 50 0 HGAARM COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)[O-])o2)Cc2ccccc2)cc1 ZINC000014092737 558619165 /nfs/dbraw/zinc/61/91/65/558619165.db2.gz KUZFLDYICDHRTC-UHFFFAOYSA-N -1 0 401.440 3.378 50 0 HGAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000025501538 558642337 /nfs/dbraw/zinc/64/23/37/558642337.db2.gz LSZDYTXRUCYGIT-OAHLLOKOSA-N -1 0 410.451 3.078 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000028837985 558705931 /nfs/dbraw/zinc/70/59/31/558705931.db2.gz AVWQPAQSFUTGKN-UHFFFAOYSA-N -1 0 411.483 3.113 50 0 HGAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(OC)c(Cl)cc1OC ZINC000016100434 558771577 /nfs/dbraw/zinc/77/15/77/558771577.db2.gz DTPXVAAIBFYRNL-UHFFFAOYSA-N -1 0 414.867 3.125 50 0 HGAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000016955987 558810145 /nfs/dbraw/zinc/81/01/45/558810145.db2.gz NDRYZWLEKLZGQR-UHFFFAOYSA-N -1 0 400.504 3.496 50 0 HGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000017088015 558816729 /nfs/dbraw/zinc/81/67/29/558816729.db2.gz TYUQOEUNCZTNER-ROUUACIJSA-N -1 0 408.520 3.127 50 0 HGAARM CCCOc1ccc(C(=O)Nn2c(=O)c3c(C)c(C(=O)[O-])sc3[nH]c2=S)cc1 ZINC000017091835 558820338 /nfs/dbraw/zinc/82/03/38/558820338.db2.gz TXYKJIXJFCQIMA-UHFFFAOYSA-N -1 0 419.484 3.300 50 0 HGAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017093208 558821576 /nfs/dbraw/zinc/82/15/76/558821576.db2.gz FHCUAOMRSFMRRI-CYBMUJFWSA-N -1 0 422.547 3.365 50 0 HGAARM CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000039969409 558823135 /nfs/dbraw/zinc/82/31/35/558823135.db2.gz STCXQEJFWAJRSI-UHFFFAOYSA-N -1 0 421.950 3.227 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc4nccnc43)C2)cc1 ZINC000072314720 558848604 /nfs/dbraw/zinc/84/86/04/558848604.db2.gz JQRUIPJZFFHTIS-LJQANCHMSA-N -1 0 404.426 3.181 50 0 HGAARM O=C([O-])[C@H](c1cccc2c1Sc1ccccc1S2)N1CCS(=O)(=O)CC1 ZINC000055211693 558876255 /nfs/dbraw/zinc/87/62/55/558876255.db2.gz LAKHCAHCDPURNB-INIZCTEOSA-N -1 0 407.538 3.159 50 0 HGAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-] ZINC000033253359 558921443 /nfs/dbraw/zinc/92/14/43/558921443.db2.gz CUKWMGRKFGPDCN-UHFFFAOYSA-N -1 0 422.503 3.439 50 0 HGAARM CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000004723790 558922715 /nfs/dbraw/zinc/92/27/15/558922715.db2.gz PRDVPJOVNGEXTD-GZTJUZNOSA-N -1 0 410.426 3.275 50 0 HGAARM O=C([O-])c1cc(-c2cnc3ccccc3c2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000072165877 558930234 /nfs/dbraw/zinc/93/02/34/558930234.db2.gz UZZAGABWUGZHDD-UHFFFAOYSA-N -1 0 414.508 3.338 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000097940907 558945829 /nfs/dbraw/zinc/94/58/29/558945829.db2.gz ZZZZEDFTOLEYPX-UHFFFAOYSA-N -1 0 414.487 3.405 50 0 HGAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccc(C)s2)CC4)cc1 ZINC000097942099 558947975 /nfs/dbraw/zinc/94/79/75/558947975.db2.gz ZGGQFQWRGYOQPT-UHFFFAOYSA-N -1 0 420.494 3.267 50 0 HGAARM O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cccc(O)c1)CC2 ZINC000067821053 558993349 /nfs/dbraw/zinc/99/33/49/558993349.db2.gz GGMFPGJEAZPAEN-UHFFFAOYSA-N -1 0 405.454 3.118 50 0 HGAARM Cc1sc(C(N)=O)cc1S(=O)(=O)[N-]c1nc2c(ccc(Cl)c2F)s1 ZINC000097135124 558996449 /nfs/dbraw/zinc/99/64/49/558996449.db2.gz BLRDHRIKPHAZPW-UHFFFAOYSA-N -1 0 405.885 3.358 50 0 HGAARM C[C@@H](Oc1ccccc1)C(=O)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097151778 558997425 /nfs/dbraw/zinc/99/74/25/558997425.db2.gz DEHFJLXZFQRMGV-MRXNPFEDSA-N -1 0 414.465 3.042 50 0 HGAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000100036868 559129075 /nfs/dbraw/zinc/12/90/75/559129075.db2.gz YNXOMGWSCCGCTE-PMACEKPBSA-N -1 0 405.458 3.050 50 0 HGAARM CCOc1ccc(N2C(=O)[C@H]3C(C(C)=O)=NN(c4ccc(Cl)cc4)C3=C2[O-])cc1 ZINC000100982835 559142528 /nfs/dbraw/zinc/14/25/28/559142528.db2.gz XPFUFHULHQBIPD-PKOBYXMFSA-N -1 0 411.845 3.062 50 0 HGAARM CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000102575477 559151228 /nfs/dbraw/zinc/15/12/28/559151228.db2.gz QLFFGWSTOJENHR-RTBURBONSA-N -1 0 416.499 3.341 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000004865487 559193813 /nfs/dbraw/zinc/19/38/13/559193813.db2.gz LYBPKKPDRHMTSV-HZPDHXFCSA-N -1 0 412.515 3.353 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238937469 559271730 /nfs/dbraw/zinc/27/17/30/559271730.db2.gz VRZNREAVGVERFB-ZOBUZTSGSA-N -1 0 415.486 3.438 50 0 biogenic HGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 ZINC000248147173 559275188 /nfs/dbraw/zinc/27/51/88/559275188.db2.gz SYOSDGZFNGWYFR-GBXCKJPGSA-N -1 0 419.481 3.270 50 0 HGAARM Cc1ccc2[nH]c(=O)c([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000034138343 560580340 /nfs/dbraw/zinc/58/03/40/560580340.db2.gz KKPZCWONBIGSAG-HXUWFJFHSA-N -1 0 403.438 3.379 50 0 HGAARM Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000005574722 560623375 /nfs/dbraw/zinc/62/33/75/560623375.db2.gz NAOVLHJKEQBILW-ZDUSSCGKSA-N -1 0 400.456 3.276 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000006077351 560628787 /nfs/dbraw/zinc/62/87/87/560628787.db2.gz XSPVBEMXKYEVRS-UHFFFAOYSA-N -1 0 422.890 3.465 50 0 HGAARM O=S(=O)([N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(Cl)s1 ZINC000206846801 560749331 /nfs/dbraw/zinc/74/93/31/560749331.db2.gz MUBRQMNMSOUBBZ-GFCCVEGCSA-N -1 0 411.892 3.239 50 0 HGAARM CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)ccc21 ZINC000024372179 560759271 /nfs/dbraw/zinc/75/92/71/560759271.db2.gz RKXCTJYZEOKXFH-UHFFFAOYSA-N -1 0 400.378 3.295 50 0 HGAARM COc1ccccc1CNC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101722989 560799145 /nfs/dbraw/zinc/79/91/45/560799145.db2.gz UVXJMRQCIPYZKP-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)n(C)c1=O ZINC000101766391 560799753 /nfs/dbraw/zinc/79/97/53/560799753.db2.gz QOQOXHBDCHIQCQ-QGZVFWFLSA-N -1 0 411.458 3.287 50 0 HGAARM COc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)cs3)c2=O)c(OC)c1 ZINC000101832729 560803073 /nfs/dbraw/zinc/80/30/73/560803073.db2.gz LVWKAUYUYXNXSR-UHFFFAOYSA-N -1 0 402.476 3.240 50 0 HGAARM O=C([O-])c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102762384 560826292 /nfs/dbraw/zinc/82/62/92/560826292.db2.gz WDMCEWNAISSDKL-NJYVYQBISA-N -1 0 414.417 3.436 50 0 HGAARM CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000046086194 568428086 /nfs/dbraw/zinc/42/80/86/568428086.db2.gz CKNGWGLNDWHJKW-CYBMUJFWSA-N -1 0 424.320 3.167 50 0 HGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000794188 568605116 /nfs/dbraw/zinc/60/51/16/568605116.db2.gz QYTZXQYIXFMOCW-QZTJIDSGSA-N -1 0 408.520 3.081 50 0 HGAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC(=O)Nc1ccc(F)cc1C)CC2 ZINC000021046067 568660281 /nfs/dbraw/zinc/66/02/81/568660281.db2.gz IVTNAURQTOYATO-GOSISDBHSA-N -1 0 416.449 3.164 50 0 HGAARM COC(=O)CCSc1ncccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000096013530 568685332 /nfs/dbraw/zinc/68/53/32/568685332.db2.gz HCHLXFNVSJMYOF-UHFFFAOYSA-N -1 0 400.909 3.499 50 0 HGAARM COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O ZINC000096117651 568697120 /nfs/dbraw/zinc/69/71/20/568697120.db2.gz ZTTVOSQRPTTZFB-AWEZNQCLSA-N -1 0 422.359 3.123 50 0 HGAARM CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(F)cc1 ZINC000000849123 568710769 /nfs/dbraw/zinc/71/07/69/568710769.db2.gz YFDHIXXQMNCIFD-OAHLLOKOSA-N -1 0 401.419 3.114 50 0 HGAARM CN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)SC1=Nc1cccc(F)c1 ZINC000000849165 568710928 /nfs/dbraw/zinc/71/09/28/568710928.db2.gz NLIYBXDOWDRGDX-HNNXBMFYSA-N -1 0 401.419 3.114 50 0 HGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000096286231 568719306 /nfs/dbraw/zinc/71/93/06/568719306.db2.gz NPFMXYGODPVCEH-LEWJYISDSA-N -1 0 419.485 3.359 50 0 HGAARM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000685944920 568722751 /nfs/dbraw/zinc/72/27/51/568722751.db2.gz IGQNDNHOEVYVSD-HOTGVXAUSA-N -1 0 422.481 3.237 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000253497475 568754209 /nfs/dbraw/zinc/75/42/09/568754209.db2.gz BHQCQFFYRZLCQQ-VIGDYRGZSA-N -1 0 408.579 3.449 50 0 HGAARM COc1ccc(Cc2nnc([N-]S(=O)(=O)Cc3ccccc3)s2)cc1OC ZINC000000987645 568760718 /nfs/dbraw/zinc/76/07/18/568760718.db2.gz HNCWJASIAOELJC-UHFFFAOYSA-N -1 0 405.501 3.088 50 0 HGAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468412 568768449 /nfs/dbraw/zinc/76/84/49/568768449.db2.gz LIQQOQQXAISNDD-AWEZNQCLSA-N -1 0 412.346 3.448 50 0 HGAARM C[C@H](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)CC(=O)[O-] ZINC000097165137 568769364 /nfs/dbraw/zinc/76/93/64/568769364.db2.gz UTSUILWOXFKFNY-SSDOTTSWSA-N -1 0 402.669 3.021 50 0 HGAARM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCN(CC)CC2)cc1 ZINC000022578145 568770211 /nfs/dbraw/zinc/77/02/11/568770211.db2.gz PZPFXHXHUDXZHY-SFHVURJKSA-N -1 0 415.563 3.184 50 0 HGAARM CCN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022577357 568770262 /nfs/dbraw/zinc/77/02/62/568770262.db2.gz NCZPAWOJEDZLSZ-QGZVFWFLSA-N -1 0 409.515 3.483 50 0 HGAARM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002640280 568793418 /nfs/dbraw/zinc/79/34/18/568793418.db2.gz XZEFMKDUVUFGDQ-UHFFFAOYSA-N -1 0 409.316 3.045 50 0 HGAARM O=C(NCc1cccs1)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000002970841 568831743 /nfs/dbraw/zinc/83/17/43/568831743.db2.gz ZYPOSWILAYXZLG-CYBMUJFWSA-N -1 0 401.513 3.230 50 0 HGAARM CCN(CC)S(=O)(=O)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000012540881 568848130 /nfs/dbraw/zinc/84/81/30/568848130.db2.gz JUZXCJOFSPMPAT-UHFFFAOYSA-N -1 0 409.558 3.199 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000012544924 568850042 /nfs/dbraw/zinc/85/00/42/568850042.db2.gz CTSYGHYHSPRNRU-OAQYLSRUSA-N -1 0 424.478 3.438 50 0 HGAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003050898 568850858 /nfs/dbraw/zinc/85/08/58/568850858.db2.gz DVKJCOIVOBGJKD-CQSZACIVSA-N -1 0 407.797 3.333 50 0 HGAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2SC)c(C(=O)OC)c1C ZINC000012552228 568853651 /nfs/dbraw/zinc/85/36/51/568853651.db2.gz MGZZGEHIPFBJGT-UHFFFAOYSA-N -1 0 415.514 3.152 50 0 HGAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012557101 568856187 /nfs/dbraw/zinc/85/61/87/568856187.db2.gz KMUSRVQUURQSDA-UHFFFAOYSA-N -1 0 417.361 3.079 50 0 HGAARM O=C([O-])CCCCCNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003277425 568871208 /nfs/dbraw/zinc/87/12/08/568871208.db2.gz QTXOVPIDCPMJKK-UHFFFAOYSA-N -1 0 414.487 3.381 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)N[C@H](C)c3ccccc3)cs2)cc1 ZINC000012628226 568881658 /nfs/dbraw/zinc/88/16/58/568881658.db2.gz FPIQIGJNMBTYHA-CYBMUJFWSA-N -1 0 417.512 3.444 50 0 HGAARM C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003534063 568913507 /nfs/dbraw/zinc/91/35/07/568913507.db2.gz XGLJTBQOJDUXHG-SNVBAGLBSA-N -1 0 405.332 3.313 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000045967650 568921314 /nfs/dbraw/zinc/92/13/14/568921314.db2.gz RUMHICXOTJSDDA-UHFFFAOYSA-N -1 0 415.421 3.055 50 0 HGAARM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000031668287 568929003 /nfs/dbraw/zinc/92/90/03/568929003.db2.gz PCPPVAWHGOGOAK-UHFFFAOYSA-N -1 0 406.460 3.184 50 0 HGAARM CCOc1ccc2nc(NC(=O)[N-]S(=O)(=O)c3ccc(F)cc3F)sc2c1 ZINC000001415293 568933809 /nfs/dbraw/zinc/93/38/09/568933809.db2.gz CDZFRXOHUALZDT-UHFFFAOYSA-N -1 0 413.427 3.484 50 0 HGAARM O=C([O-])C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000004029189 568934190 /nfs/dbraw/zinc/93/41/90/568934190.db2.gz YWCMVBHNMHKDLX-UXHICEINSA-N -1 0 410.470 3.162 50 0 biogenic HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)s1 ZINC000004031478 568934629 /nfs/dbraw/zinc/93/46/29/568934629.db2.gz QRMCJMCOZGQYNP-UHFFFAOYSA-N -1 0 402.501 3.462 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000004176791 568948852 /nfs/dbraw/zinc/94/88/52/568948852.db2.gz ZKKRQZBBMDGXJJ-GOSISDBHSA-N -1 0 412.442 3.255 50 0 HGAARM CCOC(=O)NC([N-]c1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F ZINC000004177322 568949027 /nfs/dbraw/zinc/94/90/27/568949027.db2.gz ZDUSJUFOYSZEBA-UHFFFAOYSA-N -1 0 419.347 3.315 50 0 HGAARM CCCCCNC(=O)CSc1nnc(-c2ccc(OCC)cc2)n1CCC(=O)[O-] ZINC000012779020 568956294 /nfs/dbraw/zinc/95/62/94/568956294.db2.gz QKLSTYYMZGXQHM-UHFFFAOYSA-N -1 0 420.535 3.217 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)nc(C)n1 ZINC000008183771 568980171 /nfs/dbraw/zinc/98/01/71/568980171.db2.gz VXQFBXPLFHEBKA-UHFFFAOYSA-N -1 0 414.462 3.215 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c(OC)c1 ZINC000015730607 568981168 /nfs/dbraw/zinc/98/11/68/568981168.db2.gz CDCALYGWRIJINV-LLVKDONJSA-N -1 0 408.501 3.185 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000015730724 568981334 /nfs/dbraw/zinc/98/13/34/568981334.db2.gz MMNAPYZSZUCCSG-NSHDSACASA-N -1 0 408.501 3.185 50 0 HGAARM Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000008391130 568998410 /nfs/dbraw/zinc/99/84/10/568998410.db2.gz QBMFZKNYQDRMRC-UHFFFAOYSA-N -1 0 416.890 3.488 50 0 HGAARM O=c1cc(CSc2ncccn2)nc2[n-]c(SCc3ccccc3Cl)nn21 ZINC000100071770 569017426 /nfs/dbraw/zinc/01/74/26/569017426.db2.gz WJONWFMWXVSIRW-UHFFFAOYSA-N -1 0 416.919 3.446 50 0 HGAARM COc1ccc(CCC2CCN(S(=O)(=O)c3ccsc3C(=O)[O-])CC2)cc1 ZINC000012923713 569023427 /nfs/dbraw/zinc/02/34/27/569023427.db2.gz AFOXTQZVEAKKMM-UHFFFAOYSA-N -1 0 409.529 3.488 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccoc3)ccc2OC)cc1 ZINC000016226184 569029980 /nfs/dbraw/zinc/02/99/80/569029980.db2.gz JOKGWJDRCVZVGK-UHFFFAOYSA-N -1 0 402.428 3.350 50 0 HGAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000035377931 569034447 /nfs/dbraw/zinc/03/44/47/569034447.db2.gz GDFVTKCDNXOYCI-UHFFFAOYSA-N -1 0 413.434 3.073 50 0 HGAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC3)ccc2C)cc1Cl ZINC000013019189 569051006 /nfs/dbraw/zinc/05/10/06/569051006.db2.gz HANWZRAOLSSLHM-UHFFFAOYSA-N -1 0 424.906 3.312 50 0 HGAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239275079 569054070 /nfs/dbraw/zinc/05/40/70/569054070.db2.gz BDMVNYBTHTVSCW-KWCYVHTRSA-N -1 0 402.516 3.371 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)n1 ZINC000006654209 569082765 /nfs/dbraw/zinc/08/27/65/569082765.db2.gz MZBSDIRFCSCTQZ-UHFFFAOYSA-N -1 0 414.462 3.215 50 0 HGAARM CCCC[C@@H](CC)CNC(=O)CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006656811 569082964 /nfs/dbraw/zinc/08/29/64/569082964.db2.gz IPNLFAHJMLYZTK-PBHICJAKSA-N -1 0 400.548 3.467 50 0 HGAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000064843353 569106834 /nfs/dbraw/zinc/10/68/34/569106834.db2.gz VJQUZLFVWCVJOX-UHFFFAOYSA-N -1 0 419.503 3.410 50 0 HGAARM CC(=O)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000064843323 569107250 /nfs/dbraw/zinc/10/72/50/569107250.db2.gz QVNGVBJQXZGURZ-UHFFFAOYSA-N -1 0 417.487 3.164 50 0 HGAARM C[C@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)[O-])c(=O)n3Cc1ccc(Cl)cc1 ZINC000006759972 569113235 /nfs/dbraw/zinc/11/32/35/569113235.db2.gz JOKCJOVFKLPGGN-NSHDSACASA-N -1 0 418.902 3.136 50 0 HGAARM Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)c(C)c1 ZINC000036367142 569152522 /nfs/dbraw/zinc/15/25/22/569152522.db2.gz GKIBKBFCABJRAM-QFIPXVFZSA-N -1 0 421.497 3.441 50 0 HGAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1 ZINC000065098877 569176930 /nfs/dbraw/zinc/17/69/30/569176930.db2.gz LEQQMXQKKWSOFX-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000007050803 569213353 /nfs/dbraw/zinc/21/33/53/569213353.db2.gz CLQJGMWXVQDVDT-UHFFFAOYSA-N -1 0 401.444 3.353 50 0 HGAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC000007428287 569238436 /nfs/dbraw/zinc/23/84/36/569238436.db2.gz MZRMUIBILXIBGN-UHFFFAOYSA-N -1 0 405.453 3.275 50 0 HGAARM COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000007551164 569249149 /nfs/dbraw/zinc/24/91/49/569249149.db2.gz BIYNBGNTOSOSAC-OAHLLOKOSA-N -1 0 401.246 3.372 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OC ZINC000014223545 569259023 /nfs/dbraw/zinc/25/90/23/569259023.db2.gz BIWDCQCCYXMBOX-UHFFFAOYSA-N -1 0 417.487 3.316 50 0 HGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000017088016 569274006 /nfs/dbraw/zinc/27/40/06/569274006.db2.gz TYUQOEUNCZTNER-QZTJIDSGSA-N -1 0 408.520 3.127 50 0 HGAARM Cc1c2ccc(OCC(=O)N3CCC[C@H]3C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002103805 569281806 /nfs/dbraw/zinc/28/18/06/569281806.db2.gz ZXKZWCICKGRYPF-FQEVSTJZSA-N -1 0 421.449 3.147 50 0 HGAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c4ccc(O)cc4)c(C)c3cc12 ZINC000002117575 569284694 /nfs/dbraw/zinc/28/46/94/569284694.db2.gz RUQXWFPWTDQOGR-NRFANRHFSA-N -1 0 421.405 3.346 50 0 biogenic HGAARM Cc1cc(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(C)cc(=O)oc2c1 ZINC000252695296 569320258 /nfs/dbraw/zinc/32/02/58/569320258.db2.gz XWURMJXPBINAQM-BZUAXINKSA-N -1 0 401.459 3.184 50 0 biogenic HGAARM COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)CCC(=O)[O-])nn32)cc1 ZINC000002256909 569326395 /nfs/dbraw/zinc/32/63/95/569326395.db2.gz LCNZAUCAPFHYBC-SFHVURJKSA-N -1 0 419.441 3.146 50 0 HGAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1)OCCO2 ZINC000013090233 569408835 /nfs/dbraw/zinc/40/88/35/569408835.db2.gz ZVRPUEJEJCAQQZ-UHFFFAOYSA-N -1 0 404.227 3.264 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000067245496 571054048 /nfs/dbraw/zinc/05/40/48/571054048.db2.gz YKPLTIXLNHMXBH-UHFFFAOYSA-N -1 0 422.413 3.140 50 0 HGAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000038710892 571070164 /nfs/dbraw/zinc/07/01/64/571070164.db2.gz JWJBLRYJRPNYKM-UHFFFAOYSA-N -1 0 416.528 3.087 50 0 HGAARM CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)[O-])ccc1O ZINC000008867817 571129614 /nfs/dbraw/zinc/12/96/14/571129614.db2.gz ZNOVYKCIKMFJAQ-HXUWFJFHSA-N -1 0 423.421 3.307 50 0 HGAARM [O-]c1nnn(-c2ccccc2)c1CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000040158196 571204641 /nfs/dbraw/zinc/20/46/41/571204641.db2.gz WWDKVNYZTFUABX-UHFFFAOYSA-N -1 0 401.873 3.083 50 0 HGAARM CCC(Nc1cc(OC)ccc1OC)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000009090091 571220185 /nfs/dbraw/zinc/22/01/85/571220185.db2.gz UICFKDPTOAQEAY-KNTRCKAVSA-N -1 0 409.442 3.058 50 0 HGAARM CN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc3N2)C1=O ZINC000009130081 571227565 /nfs/dbraw/zinc/22/75/65/571227565.db2.gz SXZUIBQBVDPHTE-XIDKLXSXSA-N -1 0 423.450 3.027 50 0 HGAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)c1 ZINC000009173785 571234351 /nfs/dbraw/zinc/23/43/51/571234351.db2.gz SYCXKQRYOJJPCN-UHFFFAOYSA-N -1 0 404.488 3.416 50 0 HGAARM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O ZINC000009331928 571248892 /nfs/dbraw/zinc/24/88/92/571248892.db2.gz KWUIYOMYMPIQMR-OAQYLSRUSA-N -1 0 420.513 3.191 50 0 biogenic HGAARM COc1ccc2c(C)c(CC(=O)/N=c3\[n-]nc(-c4ccc(Cl)cc4)[nH]3)c(=O)oc2c1 ZINC000009340888 571249828 /nfs/dbraw/zinc/24/98/28/571249828.db2.gz DOMFRWSWOQIGHE-UHFFFAOYSA-N -1 0 424.844 3.152 50 0 HGAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCC1 ZINC000009685119 571279651 /nfs/dbraw/zinc/27/96/51/571279651.db2.gz POAIIYWVYXUIJW-UHFFFAOYSA-N -1 0 419.547 3.468 50 0 HGAARM COc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009828585 571286854 /nfs/dbraw/zinc/28/68/54/571286854.db2.gz YXFGDIWIFYYXKM-UHFFFAOYSA-N -1 0 417.512 3.442 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1cccc(O)c1 ZINC000013683272 571306568 /nfs/dbraw/zinc/30/65/68/571306568.db2.gz AZJIPXRSJZDVOR-UHFFFAOYSA-N -1 0 423.903 3.484 50 0 HGAARM O=C([N-]N1CC(=O)N(c2cc(Cl)cc(Cl)c2)CC1=O)c1sccc1Cl ZINC000001030054 132235280 /nfs/dbraw/zinc/23/52/80/132235280.db2.gz ZHFMZKABRCEHRD-UHFFFAOYSA-N -1 0 418.689 3.229 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)c1 ZINC000005099551 132301234 /nfs/dbraw/zinc/30/12/34/132301234.db2.gz BQZZWLBEHCZKBO-UHFFFAOYSA-N -1 0 416.499 3.194 50 0 HGAARM COc1ccccc1N1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(Cl)cc3)NN2)C1=O ZINC000009043441 132335054 /nfs/dbraw/zinc/33/50/54/132335054.db2.gz CJESAWNHQZTVJS-CLBVAXQTSA-N -1 0 412.833 3.265 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c(OC)c1 ZINC000009406951 132339333 /nfs/dbraw/zinc/33/93/33/132339333.db2.gz WTVWECUQHMXVRX-GFCCVEGCSA-N -1 0 422.528 3.352 50 0 HGAARM CC(C)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C\C(=O)[O-])CC2)cc1 ZINC000033349876 132789250 /nfs/dbraw/zinc/78/92/50/132789250.db2.gz QXSXRVWPDIXKLT-QXMHVHEDSA-N -1 0 421.497 3.352 50 0 HGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H]2C[C@@H](C)OC2=O)c(C)c1 ZINC000032879578 524327910 /nfs/dbraw/zinc/32/79/10/524327910.db2.gz KZASZQMIJKSXFD-CRAIPNDOSA-N -1 0 417.483 3.273 50 0 HGAARM C[C@@H]1C[C@H](OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 ZINC000032895918 525457951 /nfs/dbraw/zinc/45/79/51/525457951.db2.gz CCMSOLIOPFVCLX-BZNIZROVSA-N -1 0 409.847 3.002 50 0 HGAARM COc1cccc(CNC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000032961397 525966184 /nfs/dbraw/zinc/96/61/84/525966184.db2.gz MADCTEYOKNHPSB-UHFFFAOYSA-N -1 0 415.515 3.140 50 0 HGAARM Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000032610393 526282739 /nfs/dbraw/zinc/28/27/39/526282739.db2.gz VXORVLAZXAUUGN-CABCVRRESA-N -1 0 405.401 3.420 50 0 HGAARM CN(c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1)S(C)(=O)=O ZINC000000665709 557045282 /nfs/dbraw/zinc/04/52/82/557045282.db2.gz AOTXWBODURBJOI-UHFFFAOYSA-N -1 0 409.316 3.190 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(OC)c1 ZINC000000846566 557099547 /nfs/dbraw/zinc/09/95/47/557099547.db2.gz XQDLBRKWBRPNTN-UHFFFAOYSA-N -1 0 419.484 3.213 50 0 HGAARM CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000001003988 557140540 /nfs/dbraw/zinc/14/05/40/557140540.db2.gz WIZBPXGDKQWWOQ-UHFFFAOYSA-N -1 0 410.451 3.462 50 0 HGAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1cccnc1 ZINC000001041557 557153667 /nfs/dbraw/zinc/15/36/67/557153667.db2.gz GAIWPVTYCYLGDP-SFTDATJTSA-N -1 0 402.406 3.376 50 0 HGAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000001088628 557177298 /nfs/dbraw/zinc/17/72/98/557177298.db2.gz DKRKHCGHLYWUDM-UHFFFAOYSA-N -1 0 418.254 3.367 50 0 HGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000001138696 557202584 /nfs/dbraw/zinc/20/25/84/557202584.db2.gz DTGQLYUFCQKOSM-UHFFFAOYSA-N -1 0 423.494 3.376 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002099386 557313666 /nfs/dbraw/zinc/31/36/66/557313666.db2.gz MGHCIGMRLGCRMV-JMERFSKESA-N -1 0 401.459 3.055 50 0 biogenic HGAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034763650 557461114 /nfs/dbraw/zinc/46/11/14/557461114.db2.gz GHNVUEUDZDKJSP-INIZCTEOSA-N -1 0 421.501 3.108 50 0 HGAARM CCC(=O)NC([N-]c1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000003669992 557497798 /nfs/dbraw/zinc/49/77/98/557497798.db2.gz QJTUIJABQZVTNC-UHFFFAOYSA-N -1 0 417.375 3.485 50 0 HGAARM CCCC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003878016 557502065 /nfs/dbraw/zinc/50/20/65/557502065.db2.gz HYFDMZDXRWRUQG-GFCCVEGCSA-N -1 0 412.726 3.284 50 0 HGAARM Cc1ccc(-n2c(=O)c3cnn(-c4ccccc4)c3nc2SCCC(=O)[O-])cc1 ZINC000004168661 557523656 /nfs/dbraw/zinc/52/36/56/557523656.db2.gz VHYZMGRBUKCWJL-UHFFFAOYSA-N -1 0 406.467 3.447 50 0 HGAARM CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000004196073 557527636 /nfs/dbraw/zinc/52/76/36/557527636.db2.gz FWRZWEWMQDREPN-MOPGFXCFSA-N -1 0 422.547 3.469 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccn2)c1 ZINC000010556753 557542356 /nfs/dbraw/zinc/54/23/56/557542356.db2.gz IZWBDILXFHCFCT-HNNXBMFYSA-N -1 0 411.483 3.382 50 0 HGAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000004411727 557552783 /nfs/dbraw/zinc/55/27/83/557552783.db2.gz DQSAYXRBRYJKAB-UHFFFAOYSA-N -1 0 401.444 3.435 50 0 HGAARM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)/C=C\C(=O)[O-] ZINC000004523922 557563484 /nfs/dbraw/zinc/56/34/84/557563484.db2.gz FFCBLBLACIYQJM-KTKRTIGZSA-N -1 0 402.428 3.065 50 0 HGAARM COc1ccc([C@]2(Oc3ccc(C(=O)[O-])cc3)OC(=O)C=C2Br)cc1 ZINC000005670638 557667696 /nfs/dbraw/zinc/66/76/96/557667696.db2.gz IRCGKEWXIIRYTQ-SFHVURJKSA-N -1 0 405.200 3.461 50 0 HGAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)n1 ZINC000002779096 557761383 /nfs/dbraw/zinc/76/13/83/557761383.db2.gz YSEHEZNHHKJRQE-SECBINFHSA-N -1 0 405.911 3.145 50 0 HGAARM Cc1c(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)cnn1C ZINC000002792436 557764599 /nfs/dbraw/zinc/76/45/99/557764599.db2.gz OPARSAJDENJHSW-UHFFFAOYSA-N -1 0 400.291 3.081 50 0 HGAARM CC(C)C(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000002905335 557771196 /nfs/dbraw/zinc/77/11/96/557771196.db2.gz KFIYAAIRBNCPOJ-LBPRGKRZSA-N -1 0 412.726 3.140 50 0 HGAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000008974280 557817005 /nfs/dbraw/zinc/81/70/05/557817005.db2.gz WDFLPZGRUIEFJD-QGZVFWFLSA-N -1 0 424.404 3.355 50 0 HGAARM CC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020290793 558353849 /nfs/dbraw/zinc/35/38/49/558353849.db2.gz RBEWJRDIYWOBAF-HMMYKYKNSA-N -1 0 402.454 3.165 50 0 HGAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000020725916 558404599 /nfs/dbraw/zinc/40/45/99/558404599.db2.gz KPIMMZFUFQUWGO-LBPRGKRZSA-N -1 0 409.305 3.438 50 0 HGAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000020726296 558405014 /nfs/dbraw/zinc/40/50/14/558405014.db2.gz WIJQYQYZJSVLHY-MRXNPFEDSA-N -1 0 410.817 3.424 50 0 HGAARM COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)[O-])cc1OC ZINC000004341951 558425793 /nfs/dbraw/zinc/42/57/93/558425793.db2.gz DYAOUOVHULWFKV-UHFFFAOYSA-N -1 0 411.439 3.061 50 0 HGAARM CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000004342290 558425882 /nfs/dbraw/zinc/42/58/82/558425882.db2.gz DPJCSIHSKUOYTC-UHFFFAOYSA-N -1 0 415.471 3.364 50 0 HGAARM CCCCN1C(=O)NC(=Cc2c(COC)[n-]n(-c3ccc(Cl)cc3)c2=O)C1=O ZINC000004355384 558447043 /nfs/dbraw/zinc/44/70/43/558447043.db2.gz JVJDFTFQVIDSMF-GDNBJRDFSA-N -1 0 404.854 3.071 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)no1 ZINC000013949653 558607489 /nfs/dbraw/zinc/60/74/89/558607489.db2.gz CRYYYFNVPLIDNN-UHFFFAOYSA-N -1 0 421.500 3.201 50 0 HGAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000025501534 558642371 /nfs/dbraw/zinc/64/23/71/558642371.db2.gz LSZDYTXRUCYGIT-HNNXBMFYSA-N -1 0 410.451 3.078 50 0 HGAARM NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000015107446 558723260 /nfs/dbraw/zinc/72/32/60/558723260.db2.gz KLLQCRQEZJZTLR-HNNXBMFYSA-N -1 0 422.462 3.452 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000002936490 558779840 /nfs/dbraw/zinc/77/98/40/558779840.db2.gz PPGWJXSXHLLDGG-OQLLNIDSSA-N -1 0 400.387 3.199 50 0 HGAARM C[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2cccnc2)C1 ZINC000017082231 558814269 /nfs/dbraw/zinc/81/42/69/558814269.db2.gz WIWFTVJPVNZSFB-LBPRGKRZSA-N -1 0 401.488 3.001 50 0 HGAARM CCOC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325636 558862411 /nfs/dbraw/zinc/86/24/11/558862411.db2.gz UTMJXENGXIPGAN-AWEZNQCLSA-N -1 0 413.426 3.042 50 0 biogenic HGAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ncccn4)CC3)c(C(=O)[O-])c2)c1 ZINC000033078648 558868080 /nfs/dbraw/zinc/86/80/80/558868080.db2.gz QGBAWNVNHFNPMV-UHFFFAOYSA-N -1 0 417.469 3.062 50 0 HGAARM O=C([O-])[C@H]1CC[C@H](c2nc3cc(F)ccc3c3nc(=O)c(-c4ccccc4)nn32)C1 ZINC000170620121 558881389 /nfs/dbraw/zinc/88/13/89/558881389.db2.gz CTTAXRWDMSSSIV-KBPBESRZSA-N -1 0 404.401 3.412 50 0 HGAARM CCn1c(=O)oc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000033048736 558885845 /nfs/dbraw/zinc/88/58/45/558885845.db2.gz URCFLOKYNQPQRS-UHFFFAOYSA-N -1 0 403.279 3.239 50 0 HGAARM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccc(Br)s3)c2)N1 ZINC000033139083 558889043 /nfs/dbraw/zinc/88/90/43/558889043.db2.gz GUTZGZRZMNYGRD-CYBMUJFWSA-N -1 0 419.347 3.173 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)[O-] ZINC000058377265 558922683 /nfs/dbraw/zinc/92/26/83/558922683.db2.gz JCOKAWQCNAXMGB-UHFFFAOYSA-N -1 0 400.250 3.022 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000097940930 558945872 /nfs/dbraw/zinc/94/58/72/558945872.db2.gz RCJCZLGYYPIYFT-UHFFFAOYSA-N -1 0 422.894 3.443 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100636539 559137209 /nfs/dbraw/zinc/13/72/09/559137209.db2.gz TXAXKSIWVDFVKD-INIZCTEOSA-N -1 0 401.879 3.359 50 0 HGAARM CCCCn1c(=O)c(C(=O)Nc2c(=O)[nH]c3ccccc3c2O)c([O-])c2ccccc21 ZINC000100706616 559138102 /nfs/dbraw/zinc/13/81/02/559138102.db2.gz VLVNQLQGAFNFHE-UHFFFAOYSA-N -1 0 419.437 3.307 50 0 HGAARM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000014097612 559150805 /nfs/dbraw/zinc/15/08/05/559150805.db2.gz DNNYQYSABQRIHE-UHFFFAOYSA-N -1 0 403.243 3.451 50 0 HGAARM CCOc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000004853648 559192058 /nfs/dbraw/zinc/19/20/58/559192058.db2.gz DZPDEMIHOGVDCH-UHFFFAOYSA-N -1 0 409.464 3.067 50 0 HGAARM CS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000005099711 559244810 /nfs/dbraw/zinc/24/48/10/559244810.db2.gz HQUWFDSHHUGNFY-UHFFFAOYSA-N -1 0 416.524 3.353 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000011866834 559264358 /nfs/dbraw/zinc/26/43/58/559264358.db2.gz RTFQGEOOLBPWHU-UHYGZKCKSA-N -1 0 415.486 3.363 50 0 HGAARM O=C([O-])CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000013805695 560220415 /nfs/dbraw/zinc/22/04/15/560220415.db2.gz VJGGHXVGBSZVMZ-BDFMIYKPSA-N -1 0 424.921 3.195 50 0 in-vitro HGAARM O=C([O-])c1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000002648872 560587078 /nfs/dbraw/zinc/58/70/78/560587078.db2.gz OSRAQSVLFZDWJH-UHFFFAOYSA-N -1 0 414.461 3.401 50 0 HGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000005447868 560589086 /nfs/dbraw/zinc/58/90/86/560589086.db2.gz TYUQOEUNCZTNER-ZWKOTPCHSA-N -1 0 408.520 3.127 50 0 HGAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000004195975 560735317 /nfs/dbraw/zinc/73/53/17/560735317.db2.gz DTFSUOWAYMZZRM-LBPRGKRZSA-N -1 0 422.359 3.160 50 0 HGAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000009233331 560758024 /nfs/dbraw/zinc/75/80/24/560758024.db2.gz YNNANZHFGQXNSU-LLVKDONJSA-N -1 0 423.252 3.448 50 0 HGAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000005683998 560781568 /nfs/dbraw/zinc/78/15/68/560781568.db2.gz LTFIUGIJAVDILY-UHFFFAOYSA-N -1 0 418.471 3.471 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1 ZINC000101260846 560789987 /nfs/dbraw/zinc/78/99/87/560789987.db2.gz SQHSTPRZBMRPDB-IAGOWNOFSA-N -1 0 400.822 3.163 50 0 HGAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101417094 560794789 /nfs/dbraw/zinc/79/47/89/560794789.db2.gz LMUKJIPTFKIWLY-PMACEKPBSA-N -1 0 405.458 3.050 50 0 HGAARM COc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4[nH]cc-3c2=O)cc1Cl ZINC000101801029 560802007 /nfs/dbraw/zinc/80/20/07/560802007.db2.gz KRPXTJNARDFHKN-UHFFFAOYSA-N -1 0 400.797 3.269 50 0 HGAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)N1CCOCC1 ZINC000101832895 560803069 /nfs/dbraw/zinc/80/30/69/560803069.db2.gz FJHFCDJCECHPSA-UHFFFAOYSA-N -1 0 412.515 3.110 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)c1 ZINC000102810688 560829281 /nfs/dbraw/zinc/82/92/81/560829281.db2.gz DGNMHMARYIYICT-SFHVURJKSA-N -1 0 408.389 3.267 50 0 HGAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 ZINC000102810739 560829317 /nfs/dbraw/zinc/82/93/17/560829317.db2.gz CQJUQJDLCXTMIY-GOSISDBHSA-N -1 0 404.426 3.436 50 0 HGAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 ZINC000102810741 560829373 /nfs/dbraw/zinc/82/93/73/560829373.db2.gz CQJUQJDLCXTMIY-SFHVURJKSA-N -1 0 404.426 3.436 50 0 HGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)cc1 ZINC000102820667 560829588 /nfs/dbraw/zinc/82/95/88/560829588.db2.gz ZOYDOHVKDYCSRG-GOSISDBHSA-N -1 0 408.389 3.267 50 0 HGAARM CCn1c(=O)c2ccc(C(=O)NCc3ccc(Br)s3)cc2[n-]c1=S ZINC000103073288 560837645 /nfs/dbraw/zinc/83/76/45/560837645.db2.gz ZLTYHWOEMVRFLP-UHFFFAOYSA-N -1 0 424.345 3.459 50 0 HGAARM COC(=O)[C@@](NNc1ccccc1)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000104299000 560850214 /nfs/dbraw/zinc/85/02/14/560850214.db2.gz DIVMMEGVAWELEI-IBGZPJMESA-N -1 0 420.391 3.434 50 0 HGAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)CCC(=O)[O-])cc3)C2=O)cc1 ZINC000112287305 568443257 /nfs/dbraw/zinc/44/32/57/568443257.db2.gz BOYYPZDYUZPOHM-QGZVFWFLSA-N -1 0 412.467 3.223 50 0 HGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000049003415 568446464 /nfs/dbraw/zinc/44/64/64/568446464.db2.gz OEYKRPNJZBMKJW-UHFFFAOYSA-N -1 0 420.441 3.036 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCn1sc2ccccc2c1=O ZINC000218291114 568477795 /nfs/dbraw/zinc/47/77/95/568477795.db2.gz KWBWGGDPKRRIIR-GOSISDBHSA-N -1 0 423.494 3.137 50 0 HGAARM COc1cccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1OCC(=O)[O-] ZINC000020036187 568586728 /nfs/dbraw/zinc/58/67/28/568586728.db2.gz QNNFZLQFPXTKJQ-GCILHISBSA-N -1 0 402.403 3.353 50 0 HGAARM CCCCCc1c([O-])nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O ZINC000020059465 568587004 /nfs/dbraw/zinc/58/70/04/568587004.db2.gz XBQGLQYGZAHYIS-UHFFFAOYSA-N -1 0 403.548 3.095 50 0 HGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCCOCc2ccccc2)cc1OC ZINC000095424066 568607580 /nfs/dbraw/zinc/60/75/80/568607580.db2.gz HNJZFSZTTFQUMW-SFHVURJKSA-N -1 0 401.459 3.333 50 0 HGAARM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000040158564 568627098 /nfs/dbraw/zinc/62/70/98/568627098.db2.gz SQPCSQKQZONNFQ-IBGZPJMESA-N -1 0 404.474 3.238 50 0 HGAARM CCO[C@@H]1C[C@@](NC(=O)Nc2ccc(OC)c(OC(F)F)c2)(C(=O)[O-])C1(C)C ZINC000225487307 568642043 /nfs/dbraw/zinc/64/20/43/568642043.db2.gz GCJUEPRTSRRBOI-FZKQIMNGSA-N -1 0 402.394 3.077 50 0 HGAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C(=O)[O-])cc1 ZINC000095958213 568669658 /nfs/dbraw/zinc/66/96/58/568669658.db2.gz JUVLNHKYWLHHMY-UHFFFAOYSA-N -1 0 422.528 3.138 50 0 HGAARM O=C([O-])c1cnn([C@H]2CCCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)C2)c1 ZINC000095982558 568675409 /nfs/dbraw/zinc/67/54/09/568675409.db2.gz OKVPLRUTRSEKMN-SFHVURJKSA-N -1 0 417.893 3.147 50 0 HGAARM COc1cc(NC(=O)C[C@H](CC(=O)[O-])c2cccs2)ccc1N1CCCC1=O ZINC000096024584 568685932 /nfs/dbraw/zinc/68/59/32/568685932.db2.gz XVGUBWCQFWJDLV-CYBMUJFWSA-N -1 0 402.472 3.471 50 0 HGAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000096025631 568686456 /nfs/dbraw/zinc/68/64/56/568686456.db2.gz IMFHOBBPACOMND-UHFFFAOYSA-N -1 0 424.526 3.431 50 0 HGAARM COC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O ZINC000096117650 568697138 /nfs/dbraw/zinc/69/71/38/568697138.db2.gz ZTTVOSQRPTTZFB-CQSZACIVSA-N -1 0 422.359 3.123 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000000849920 568711107 /nfs/dbraw/zinc/71/11/07/568711107.db2.gz RREDHICTOYVTIE-YPHDTHBOSA-N -1 0 409.441 3.318 50 0 HGAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)on1 ZINC000021540606 568713737 /nfs/dbraw/zinc/71/37/37/568713737.db2.gz ZXLJFRWAUGQFBL-UHFFFAOYSA-N -1 0 400.384 3.269 50 0 HGAARM O=C(Nc1cc(F)cc(F)c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1[O-] ZINC000012422093 568721233 /nfs/dbraw/zinc/72/12/33/568721233.db2.gz NBGGVQAQYPBCID-UHFFFAOYSA-N -1 0 410.442 3.487 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000000874972 568732937 /nfs/dbraw/zinc/73/29/37/568732937.db2.gz FKNZGFWECTWAOY-UHFFFAOYSA-N -1 0 400.435 3.286 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000096361157 568738975 /nfs/dbraw/zinc/73/89/75/568738975.db2.gz WZTOBTLLOISDAG-UHFFFAOYSA-N -1 0 424.841 3.264 50 0 HGAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(F)cc(F)c2)c1 ZINC000096361127 568739007 /nfs/dbraw/zinc/73/90/07/568739007.db2.gz WKZWKAXBDMBBAV-UHFFFAOYSA-N -1 0 406.414 3.358 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NC2CCCCCC2)cc1 ZINC000096361275 568739310 /nfs/dbraw/zinc/73/93/10/568739310.db2.gz NJIJYLLNIHWVGP-UHFFFAOYSA-N -1 0 406.508 3.062 50 0 HGAARM COC(=O)NC([N-]c1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000000978333 568759991 /nfs/dbraw/zinc/75/99/91/568759991.db2.gz UALMIORZLPLUGU-UHFFFAOYSA-N -1 0 419.347 3.315 50 0 HGAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578028 568770074 /nfs/dbraw/zinc/77/00/74/568770074.db2.gz KKVMNPBABXWCIA-INIZCTEOSA-N -1 0 405.955 3.439 50 0 HGAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578004 568770103 /nfs/dbraw/zinc/77/01/03/568770103.db2.gz HHLCRLOFFCOWAD-INIZCTEOSA-N -1 0 405.955 3.439 50 0 HGAARM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000002648718 568795667 /nfs/dbraw/zinc/79/56/67/568795667.db2.gz WTBLBWGTESFARW-UHFFFAOYSA-N -1 0 418.500 3.344 50 0 HGAARM COc1ccc([C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C(C)C)cc1 ZINC000056326841 568801489 /nfs/dbraw/zinc/80/14/89/568801489.db2.gz NGOYDCHMFWJASJ-NRFANRHFSA-N -1 0 406.486 3.205 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261090511 568819130 /nfs/dbraw/zinc/81/91/30/568819130.db2.gz DKPMWHFRUGMUKF-UWIPTTKHSA-N -1 0 408.579 3.449 50 0 HGAARM CCOCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2[n-]c1=S ZINC000002972224 568832099 /nfs/dbraw/zinc/83/20/99/568832099.db2.gz NHKULLWFRNCLGP-WMLDXEAASA-N -1 0 403.548 3.420 50 0 HGAARM CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[n-]c(=S)n32)C1 ZINC000005981564 568834247 /nfs/dbraw/zinc/83/42/47/568834247.db2.gz AOHKOEKMBKEQMT-UHFFFAOYSA-N -1 0 403.920 3.399 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccco2)cc1 ZINC000012525909 568842852 /nfs/dbraw/zinc/84/28/52/568842852.db2.gz RIUUBCHQXPJDKJ-UHFFFAOYSA-N -1 0 400.456 3.361 50 0 HGAARM Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3ccccc3F)CC2)c1 ZINC000030361156 568862011 /nfs/dbraw/zinc/86/20/11/568862011.db2.gz FEMKVEJWWRVXNM-UHFFFAOYSA-N -1 0 405.539 3.015 50 0 HGAARM Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3cc(F)cc(F)c3)CC2)c1 ZINC000030361186 568862026 /nfs/dbraw/zinc/86/20/26/568862026.db2.gz HJUUXUGCBNALBW-UHFFFAOYSA-N -1 0 423.529 3.154 50 0 HGAARM CCOC(=O)[C@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)CC)C(F)(F)F ZINC000003671228 568867446 /nfs/dbraw/zinc/86/74/46/568867446.db2.gz YPZKJWAWJYZAGB-MRXNPFEDSA-N -1 0 419.425 3.455 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(F)cc1Cl ZINC000003278474 568871324 /nfs/dbraw/zinc/87/13/24/568871324.db2.gz OEGHDSGYLCIEAM-UHFFFAOYSA-N -1 0 406.826 3.322 50 0 HGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(F)c1 ZINC000003334834 568882572 /nfs/dbraw/zinc/88/25/72/568882572.db2.gz OQPYYPRQEGSRGD-UHFFFAOYSA-N -1 0 412.508 3.191 50 0 HGAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 ZINC000001286747 568910912 /nfs/dbraw/zinc/91/09/12/568910912.db2.gz OJIITUYAUKOAHA-DHDCSXOGSA-N -1 0 400.387 3.199 50 0 HGAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000001322303 568914711 /nfs/dbraw/zinc/91/47/11/568914711.db2.gz XGZCRJKXOPENTC-NRFANRHFSA-N -1 0 418.449 3.379 50 0 biogenic HGAARM CC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000001407466 568928521 /nfs/dbraw/zinc/92/85/21/568928521.db2.gz HWDLJNCYWHAIHZ-LFIBNONCSA-N -1 0 421.350 3.491 50 0 HGAARM O=C([O-])c1sccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012751063 568940543 /nfs/dbraw/zinc/94/05/43/568940543.db2.gz VSFUUBMVMUZMRI-UHFFFAOYSA-N -1 0 409.485 3.309 50 0 HGAARM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC[C@@H]3CCCO3)ccc2N1 ZINC000084490238 568949529 /nfs/dbraw/zinc/94/95/29/568949529.db2.gz SPDXWXHBZKWTDZ-AWEZNQCLSA-N -1 0 422.890 3.193 50 0 HGAARM CCCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000012785049 568959484 /nfs/dbraw/zinc/95/94/84/568959484.db2.gz ZPBIFUQQEOLALB-KRWDZBQOSA-N -1 0 407.488 3.151 50 0 HGAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000015781503 569002711 /nfs/dbraw/zinc/00/27/11/569002711.db2.gz PHGKGBXUXJJLTG-UHFFFAOYSA-N -1 0 420.965 3.305 50 0 HGAARM COc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c(OC)c1 ZINC000015826839 569011610 /nfs/dbraw/zinc/01/16/10/569011610.db2.gz BBOLOSMAVAYQCH-ZDUSSCGKSA-N -1 0 417.487 3.081 50 0 HGAARM CC(=O)Nc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)ccc1[O-] ZINC000012879871 569014714 /nfs/dbraw/zinc/01/47/14/569014714.db2.gz FFWBYTCZKDZLJU-UHFFFAOYSA-N -1 0 409.471 3.314 50 0 HGAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000035397395 569034908 /nfs/dbraw/zinc/03/49/08/569034908.db2.gz UFRACRYHSKWWMY-UHFFFAOYSA-N -1 0 413.446 3.485 50 0 HGAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(NC(C)=O)cc3)c(C)s2)no1 ZINC000035539329 569043647 /nfs/dbraw/zinc/04/36/47/569043647.db2.gz NTNSYKANRFQHDJ-UHFFFAOYSA-N -1 0 406.489 3.428 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Br)ccc2F)c1 ZINC000012998601 569048898 /nfs/dbraw/zinc/04/88/98/569048898.db2.gz IHLQVMUTJIQROT-UHFFFAOYSA-N -1 0 402.241 3.340 50 0 HGAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000004611192 569060863 /nfs/dbraw/zinc/06/08/63/569060863.db2.gz UPOAYKDDCLJQND-IAERKFLBSA-N -1 0 410.470 3.082 50 0 biogenic HGAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1 ZINC000100613789 569069825 /nfs/dbraw/zinc/06/98/25/569069825.db2.gz RDNFLBBBUYNDFP-UHFFFAOYSA-N -1 0 406.438 3.472 50 0 biogenic HGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])CC1)OC(C)(C)CC3 ZINC000006623971 569075427 /nfs/dbraw/zinc/07/54/27/569075427.db2.gz SLRWNWSAYOIDAI-UHFFFAOYSA-N -1 0 413.470 3.071 50 0 biogenic HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000006730399 569102855 /nfs/dbraw/zinc/10/28/55/569102855.db2.gz IDBMEAHSKATKNE-UHFFFAOYSA-N -1 0 406.891 3.449 50 0 HGAARM COc1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(C3=Cc4ccccc4OC3)=NO2)cc1 ZINC000006755183 569112063 /nfs/dbraw/zinc/11/20/63/569112063.db2.gz YEDYSAGPGDRNPJ-QFIPXVFZSA-N -1 0 408.410 3.100 50 0 HGAARM Cc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)c1C ZINC000036366642 569152663 /nfs/dbraw/zinc/15/26/63/569152663.db2.gz GKBRTDDJXFLSDX-JOCHJYFZSA-N -1 0 421.497 3.441 50 0 HGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)cc1 ZINC000065098735 569176870 /nfs/dbraw/zinc/17/68/70/569176870.db2.gz IVGDDQACTSNRFI-UHFFFAOYSA-N -1 0 405.457 3.263 50 0 HGAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2cnn(-c3cccc(C)c3)c2[nH]c1=O ZINC000065250043 569206054 /nfs/dbraw/zinc/20/60/54/569206054.db2.gz OGBXGXNFUOPHBN-UHFFFAOYSA-N -1 0 404.426 3.297 50 0 HGAARM CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c[nH]1 ZINC000170617390 569248137 /nfs/dbraw/zinc/24/81/37/569248137.db2.gz MMSNKAGMEXLWBD-UHFFFAOYSA-N -1 0 413.883 3.220 50 0 HGAARM CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000013579063 569256347 /nfs/dbraw/zinc/25/63/47/569256347.db2.gz DMETZOWKUSWZNJ-UHFFFAOYSA-N -1 0 412.442 3.156 50 0 HGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)c1 ZINC000006681794 569280018 /nfs/dbraw/zinc/28/00/18/569280018.db2.gz FFURBKIBDKZFFU-UHFFFAOYSA-N -1 0 405.457 3.300 50 0 HGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)c2oc1=O ZINC000002098511 569281150 /nfs/dbraw/zinc/28/11/50/569281150.db2.gz XZWXSOOCPGIRQF-LPHOPBHVSA-N -1 0 423.465 3.298 50 0 biogenic HGAARM COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1C ZINC000002108237 569283833 /nfs/dbraw/zinc/28/38/33/569283833.db2.gz TYQMSWXJIFLLJC-FQEVSTJZSA-N -1 0 409.438 3.293 50 0 biogenic HGAARM CC(=O)N([C@@H](CC(N)=O)C(=O)[O-])C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095932017 569284916 /nfs/dbraw/zinc/28/49/16/569284916.db2.gz WFYYRTNTXJTDKV-QFIPXVFZSA-N -1 0 416.477 3.156 50 0 HGAARM Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000253412283 569366523 /nfs/dbraw/zinc/36/65/23/569366523.db2.gz QMEVYLANLFRDTM-LJQANCHMSA-N -1 0 419.433 3.244 50 0 biogenic HGAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000253425459 569368200 /nfs/dbraw/zinc/36/82/00/569368200.db2.gz UCYWJNNRMCIMIK-UWVGGRQHSA-N -1 0 407.225 3.275 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000253609705 569383224 /nfs/dbraw/zinc/38/32/24/569383224.db2.gz BHQCQFFYRZLCQQ-BNPRSSRLSA-N -1 0 408.579 3.449 50 0 in-vitro HGAARM NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2C(=O)[O-])cc1 ZINC000225392304 569393456 /nfs/dbraw/zinc/39/34/56/569393456.db2.gz DXTJHUASRINHOD-OAQYLSRUSA-N -1 0 421.478 3.388 50 0 HGAARM COCCCNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349409 569411066 /nfs/dbraw/zinc/41/10/66/569411066.db2.gz MEITYEIYWMUUNB-UHFFFAOYSA-N -1 0 420.516 3.255 50 0 HGAARM CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)[O-])ccc1O ZINC000008867818 571129699 /nfs/dbraw/zinc/12/96/99/571129699.db2.gz ZNOVYKCIKMFJAQ-FQEVSTJZSA-N -1 0 423.421 3.307 50 0 HGAARM Cc1c(-c2nnc(SCC(=O)[O-])n2-c2ccccc2C)nnn1-c1ccccc1 ZINC000039933083 571135176 /nfs/dbraw/zinc/13/51/76/571135176.db2.gz CWYRTFFLYUDZBT-UHFFFAOYSA-N -1 0 406.471 3.309 50 0 HGAARM COCCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1cccc(F)c1 ZINC000040152342 571200057 /nfs/dbraw/zinc/20/00/57/571200057.db2.gz ZLETUJJXLHPQHF-IBGZPJMESA-N -1 0 422.453 3.001 50 0 HGAARM CCCCOc1ccc2nc([N-][C@@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009087586 571220121 /nfs/dbraw/zinc/22/01/21/571220121.db2.gz KEQIANABCXTKQE-INIZCTEOSA-N -1 0 419.425 3.455 50 0 HGAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000009151977 571230788 /nfs/dbraw/zinc/23/07/88/571230788.db2.gz OIPJFWQTKASUTP-UHFFFAOYSA-N -1 0 401.419 3.282 50 0 HGAARM CCCCc1c([O-])nc(SCC(=O)NC(C)(C)C)n(-c2ccc(OC)cc2)c1=O ZINC000009331245 571248801 /nfs/dbraw/zinc/24/88/01/571248801.db2.gz RSWBQCHZCLBCKD-UHFFFAOYSA-N -1 0 419.547 3.296 50 0 HGAARM CCC(=O)N(c1nnc(SCC(=O)c2ccc([O-])c(NC(C)=O)c2)s1)C1CC1 ZINC000009580399 571270419 /nfs/dbraw/zinc/27/04/19/571270419.db2.gz VJDHLRFVYYLJIA-UHFFFAOYSA-N -1 0 420.516 3.083 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc(OC)c1OC ZINC000009686477 571279988 /nfs/dbraw/zinc/27/99/88/571279988.db2.gz HIXDBAYLKLMWER-UHFFFAOYSA-N -1 0 409.489 3.273 50 0 HGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccc(Br)c1)N(C)C2=O ZINC000009776751 571284984 /nfs/dbraw/zinc/28/49/84/571284984.db2.gz YURSJHBAUCGMAX-IRXDYDNUSA-N -1 0 420.259 3.461 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCCc3ccccc3)cs2)cc1 ZINC000009828575 571286746 /nfs/dbraw/zinc/28/67/46/571286746.db2.gz BDUXXJIORGOVHB-UHFFFAOYSA-N -1 0 415.540 3.154 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccco1 ZINC000009828513 571286835 /nfs/dbraw/zinc/28/68/35/571286835.db2.gz KIYPUUWMSLECQJ-UHFFFAOYSA-N -1 0 411.892 3.049 50 0 HGAARM Cc1ccc(CNC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009828691 571287017 /nfs/dbraw/zinc/28/70/17/571287017.db2.gz RGQWQGCBNONJCL-UHFFFAOYSA-N -1 0 401.513 3.111 50 0 HGAARM CC(C)c1sc(NC(=O)CCC(=O)Nc2cccc3[nH]ccc32)nc1C(=O)[O-] ZINC000095474557 571306722 /nfs/dbraw/zinc/30/67/22/571306722.db2.gz BRXPUIOCLZFOSO-UHFFFAOYSA-N -1 0 400.460 3.803 50 0 HGAARM CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000009090063 132335639 /nfs/dbraw/zinc/33/56/39/132335639.db2.gz YADTYUBJGOUHBL-VHEBQXMUSA-N -1 0 406.442 3.312 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc(OC)c1 ZINC000045961609 522752684 /nfs/dbraw/zinc/75/26/84/522752684.db2.gz AHYMJAQTFZGTDX-UHFFFAOYSA-N -1 0 410.517 3.192 50 0 HGAARM COc1ccc(-c2nc(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cs2)cc1OC ZINC000245328704 523195346 /nfs/dbraw/zinc/19/53/46/523195346.db2.gz WOJQDHXEDAZYJD-HDJSIYSDSA-N -1 0 418.515 3.377 50 0 HGAARM COC(=O)C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000245253732 523334102 /nfs/dbraw/zinc/33/41/02/523334102.db2.gz LXJVMBVOJTVUMM-JMSVASOKSA-N -1 0 400.258 3.381 50 0 HGAARM Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(=O)[n-]2)c1 ZINC000032836326 524603887 /nfs/dbraw/zinc/60/38/87/524603887.db2.gz IRUPEIZNVGTINM-UHFFFAOYSA-N -1 0 410.455 3.055 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1Br ZINC000032798199 525076921 /nfs/dbraw/zinc/07/69/21/525076921.db2.gz XNOCESUBVFUMNA-UHFFFAOYSA-N -1 0 400.250 3.265 50 0 HGAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccco2)[C@@H]1C(=O)c1ccc(F)cc1 ZINC000032597841 526293734 /nfs/dbraw/zinc/29/37/34/526293734.db2.gz VLJQADBFDVUVNF-YWPYICTPSA-N -1 0 405.428 3.358 50 0 HGAARM O=C([O-])c1ccc(-n2nnnc2SCCC(=O)Nc2ccccc2Cl)cc1 ZINC000019853327 526361461 /nfs/dbraw/zinc/36/14/61/526361461.db2.gz CQOKCHCBEPPSOC-UHFFFAOYSA-N -1 0 403.851 3.135 50 0 HGAARM O=C([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000042289466 526852443 /nfs/dbraw/zinc/85/24/43/526852443.db2.gz WEYDKFDPHHKLSZ-UHFFFAOYSA-N -1 0 410.810 3.165 50 0 HGAARM NC(=O)COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1 ZINC000040286469 526893545 /nfs/dbraw/zinc/89/35/45/526893545.db2.gz BVYLIHISNXVONY-MRXNPFEDSA-N -1 0 423.400 3.302 50 0 HGAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(-c3cnc(-c4cccnc4)s3)n2)cc1 ZINC000043783167 527499425 /nfs/dbraw/zinc/49/94/25/527499425.db2.gz GEKTWIYBLBCGMN-UHFFFAOYSA-N -1 0 410.484 3.045 50 0 HGAARM Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000667357 557046481 /nfs/dbraw/zinc/04/64/81/557046481.db2.gz GRCZPBSVGRPYCV-SFHVURJKSA-N -1 0 407.422 3.452 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000000704027 557063105 /nfs/dbraw/zinc/06/31/05/557063105.db2.gz CJSFDABQTNLXEC-UHFFFAOYSA-N -1 0 424.478 3.131 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3F)C2)cc1OC ZINC000000890343 557111971 /nfs/dbraw/zinc/11/19/71/557111971.db2.gz HEDODYYCAWBIQR-KRWDZBQOSA-N -1 0 400.406 3.385 50 0 HGAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000953479 557125494 /nfs/dbraw/zinc/12/54/94/557125494.db2.gz FHMLDKPFAYXUSA-CQSZACIVSA-N -1 0 407.797 3.333 50 0 HGAARM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000987734 557133138 /nfs/dbraw/zinc/13/31/38/557133138.db2.gz UMEODYAMQJFUDE-UHFFFAOYSA-N -1 0 414.512 3.317 50 0 HGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccc(I)cc1 ZINC000002575647 557357522 /nfs/dbraw/zinc/35/75/22/557357522.db2.gz QEKSTALXWONXOD-LBPRGKRZSA-N -1 0 405.232 3.202 50 0 HGAARM Cc1c(NC(=O)COc2ccc(I)cc2)cccc1C(=O)[O-] ZINC000002849874 557403881 /nfs/dbraw/zinc/40/38/81/557403881.db2.gz VBKHYVHVLFSHRC-UHFFFAOYSA-N -1 0 411.195 3.315 50 0 HGAARM CCN(C)C(=O)CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O ZINC000034763168 557460341 /nfs/dbraw/zinc/46/03/41/557460341.db2.gz VUPNWFVZZLBXSZ-UHFFFAOYSA-N -1 0 410.449 3.373 50 0 HGAARM CCCOc1cccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000034765313 557461888 /nfs/dbraw/zinc/46/18/88/557461888.db2.gz UUWMGCSQAVVFRB-UHFFFAOYSA-N -1 0 410.449 3.421 50 0 HGAARM O=C([O-])[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004017194 557505325 /nfs/dbraw/zinc/50/53/25/557505325.db2.gz VBENHRFIEOLOJJ-GOSISDBHSA-N -1 0 400.431 3.073 50 0 HGAARM O=C([O-])[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004017193 557505335 /nfs/dbraw/zinc/50/53/35/557505335.db2.gz VBENHRFIEOLOJJ-SFHVURJKSA-N -1 0 400.431 3.073 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000004742360 557591191 /nfs/dbraw/zinc/59/11/91/557591191.db2.gz XONYKGIVWCKATK-MRXNPFEDSA-N -1 0 408.545 3.216 50 0 HGAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)OCC)c1C ZINC000005021027 557626776 /nfs/dbraw/zinc/62/67/76/557626776.db2.gz RUIKYQJZSPJZBH-NEPJUHHUSA-N -1 0 409.460 3.015 50 0 HGAARM CC1(C)C[C@H](CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)O1 ZINC000006057138 557685507 /nfs/dbraw/zinc/68/55/07/557685507.db2.gz CWKSBSKIIUPBMN-LBPRGKRZSA-N -1 0 423.516 3.004 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000006858022 557727120 /nfs/dbraw/zinc/72/71/20/557727120.db2.gz BHQCQFFYRZLCQQ-OELDTZBJSA-N -1 0 408.579 3.449 50 0 endogenous,fda HGAARM CC(C)C(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002682788 557739975 /nfs/dbraw/zinc/73/99/75/557739975.db2.gz LGQYQFNCMOXLCD-GFCCVEGCSA-N -1 0 412.726 3.140 50 0 HGAARM Cc1c(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cnn1C ZINC000002804806 557763587 /nfs/dbraw/zinc/76/35/87/557763587.db2.gz ARCGAMBBCCFBPR-UHFFFAOYSA-N -1 0 400.291 3.081 50 0 HGAARM CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000007991437 557769483 /nfs/dbraw/zinc/76/94/83/557769483.db2.gz FWRZWEWMQDREPN-RTBURBONSA-N -1 0 422.547 3.469 50 0 HGAARM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000022688614 557779567 /nfs/dbraw/zinc/77/95/67/557779567.db2.gz KUNPSANMLJJUGH-UHFFFAOYSA-N -1 0 424.906 3.075 50 0 HGAARM CCOc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Br ZINC000008715823 557801585 /nfs/dbraw/zinc/80/15/85/557801585.db2.gz GIBPMOZTRVANCF-UHFFFAOYSA-N -1 0 400.250 3.347 50 0 HGAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000008722796 557802422 /nfs/dbraw/zinc/80/24/22/557802422.db2.gz WRHVKWCXBNWCGT-UHFFFAOYSA-N -1 0 410.451 3.116 50 0 HGAARM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2O1 ZINC000008973611 557817015 /nfs/dbraw/zinc/81/70/15/557817015.db2.gz FQWUSWDBTHUJEA-SFHVURJKSA-N -1 0 424.862 3.483 50 0 HGAARM CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854203 557839505 /nfs/dbraw/zinc/83/95/05/557839505.db2.gz OTHGIBDVLZJTLS-CQSZACIVSA-N -1 0 423.336 3.243 50 0 HGAARM CSCC[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000012462104 558419317 /nfs/dbraw/zinc/41/93/17/558419317.db2.gz UKBOMXRLBDDYBQ-QGZVFWFLSA-N -1 0 410.499 3.179 50 0 biogenic,in-vitro HGAARM Cc1cc(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)c(C)s1 ZINC000021867431 558452897 /nfs/dbraw/zinc/45/28/97/558452897.db2.gz JXAFRUNPQRUIQJ-UHFFFAOYSA-N -1 0 420.512 3.384 50 0 HGAARM COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000012806387 558473852 /nfs/dbraw/zinc/47/38/52/558473852.db2.gz IBVCOAYLSMTJCS-IBGZPJMESA-N -1 0 419.499 3.247 50 0 HGAARM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc(F)c(F)c1F ZINC000013041707 558507719 /nfs/dbraw/zinc/50/77/19/558507719.db2.gz RABCTPQHXYMXFC-UHFFFAOYSA-N -1 0 406.813 3.395 50 0 HGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000013234965 558527712 /nfs/dbraw/zinc/52/77/12/558527712.db2.gz MNLPZJKNASGRIC-GOSISDBHSA-N -1 0 404.426 3.318 50 0 HGAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000013281311 558528673 /nfs/dbraw/zinc/52/86/73/558528673.db2.gz ZFTZZSJQPNXAFX-IYBDPMFKSA-N -1 0 412.515 3.353 50 0 HGAARM COc1ccc(C(=O)[N-]C(=O)N=[S@@](C)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000013466284 558533329 /nfs/dbraw/zinc/53/33/29/558533329.db2.gz ZMJWWTGFHUMENW-MHZLTWQESA-N -1 0 401.366 3.116 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 ZINC000025321347 558637692 /nfs/dbraw/zinc/63/76/92/558637692.db2.gz HHWIZRVYXVPMLS-UHFFFAOYSA-N -1 0 416.503 3.152 50 0 HGAARM NC(=O)COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000015107449 558723265 /nfs/dbraw/zinc/72/32/65/558723265.db2.gz KLLQCRQEZJZTLR-OAHLLOKOSA-N -1 0 422.462 3.452 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000001083501 558775033 /nfs/dbraw/zinc/77/50/33/558775033.db2.gz ZMGHLLPWDMAKED-OALUTQOASA-N -1 0 414.483 3.401 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 ZINC000001143120 558775490 /nfs/dbraw/zinc/77/54/90/558775490.db2.gz ODBFBLZNCCKIBP-UHFFFAOYSA-N -1 0 408.863 3.075 50 0 HGAARM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 ZINC000022130631 558779199 /nfs/dbraw/zinc/77/91/99/558779199.db2.gz JDXHOZVNKRZJIP-UHFFFAOYSA-N -1 0 410.451 3.116 50 0 HGAARM CC(C)C[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000005092898 558781573 /nfs/dbraw/zinc/78/15/73/558781573.db2.gz NLVPAYPOXXOVKH-RBFDBLARSA-N -1 0 404.850 3.319 50 0 HGAARM Cc1ccc(CNC(=S)N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017082811 558815087 /nfs/dbraw/zinc/81/50/87/558815087.db2.gz OBHDUSFCLHNHGH-UHFFFAOYSA-N -1 0 404.344 3.159 50 0 HGAARM C[C@H](CC(=O)NCc1ccccc1Cl)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004598497 558834760 /nfs/dbraw/zinc/83/47/60/558834760.db2.gz RVQMVYKFSHZPJL-ZDUSSCGKSA-N -1 0 405.907 3.395 50 0 HGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000004717511 558915930 /nfs/dbraw/zinc/91/59/30/558915930.db2.gz CIAGLHMKBXRMMD-GOSISDBHSA-N -1 0 401.459 3.367 50 0 HGAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-] ZINC000033253642 558921616 /nfs/dbraw/zinc/92/16/16/558921616.db2.gz HJSPWJULKKTYHG-UHFFFAOYSA-N -1 0 408.476 3.049 50 0 HGAARM CC(=O)Nc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260781 558926289 /nfs/dbraw/zinc/92/62/89/558926289.db2.gz UDYYBFUVTKBMRY-UHFFFAOYSA-N -1 0 408.433 3.357 50 0 HGAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)cc1 ZINC000097940969 558946069 /nfs/dbraw/zinc/94/60/69/558946069.db2.gz OGFVNLYYBJGDSJ-UHFFFAOYSA-N -1 0 402.476 3.043 50 0 HGAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N2CCCC2)o1 ZINC000097940808 558946709 /nfs/dbraw/zinc/94/67/09/558946709.db2.gz ITZVMNSJTZRYCW-UHFFFAOYSA-N -1 0 414.487 3.269 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000097940844 558946849 /nfs/dbraw/zinc/94/68/49/558946849.db2.gz RJMXIPGDSQEBMQ-UHFFFAOYSA-N -1 0 414.487 3.323 50 0 HGAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2sccc2C)CC4)cc1 ZINC000097942098 558947987 /nfs/dbraw/zinc/94/79/87/558947987.db2.gz TZFIJIYDIPGUTE-UHFFFAOYSA-N -1 0 420.494 3.267 50 0 HGAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccccc1Br ZINC000033266201 558986001 /nfs/dbraw/zinc/98/60/01/558986001.db2.gz VSMJGPUWIQYIMR-UHFFFAOYSA-N -1 0 405.256 3.497 50 0 HGAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000023157119 559022169 /nfs/dbraw/zinc/02/21/69/559022169.db2.gz HPWZRYPYZLSORA-NVGCLXPQSA-N -1 0 418.519 3.021 50 0 HGAARM COc1ccc(CNC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1OC ZINC000004742610 559044636 /nfs/dbraw/zinc/04/46/36/559044636.db2.gz ZDNFSHNPDLRWRR-UHFFFAOYSA-N -1 0 417.845 3.337 50 0 HGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 ZINC000095368041 559080257 /nfs/dbraw/zinc/08/02/57/559080257.db2.gz WIEWGSKDZJYRAU-HXUWFJFHSA-N -1 0 400.519 3.126 50 0 HGAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2n[nH]c(=O)[n-]2)cc1C ZINC000095530580 559086913 /nfs/dbraw/zinc/08/69/13/559086913.db2.gz YUZQRKOXNSQIFS-IBGZPJMESA-N -1 0 403.442 3.097 50 0 HGAARM O=C([O-])c1cccc(-n2nc([C@H]3CCOC3)nc2Cc2c(F)ccc(F)c2F)c1 ZINC000096131699 559095617 /nfs/dbraw/zinc/09/56/17/559095617.db2.gz SBVKQENIIKVZKG-LBPRGKRZSA-N -1 0 403.360 3.478 50 0 HGAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(NC(C)=O)ccc3OC)sc2c1 ZINC000011615690 559114771 /nfs/dbraw/zinc/11/47/71/559114771.db2.gz WKXBJSQMJAMFQW-UHFFFAOYSA-N -1 0 421.500 3.463 50 0 HGAARM C[S@](=O)(=NS(=O)(=O)[N-]C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000100216781 559132070 /nfs/dbraw/zinc/13/20/70/559132070.db2.gz JGZSGTFYXCJPOB-AREMUKBSSA-N -1 0 421.422 3.229 50 0 HGAARM CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccc(Cl)cc4)C3=C2[O-])cc1 ZINC000100982833 559142440 /nfs/dbraw/zinc/14/24/40/559142440.db2.gz XPFUFHULHQBIPD-MJGOQNOKSA-N -1 0 411.845 3.062 50 0 HGAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)N1CCCc2ccccc21 ZINC000004853602 559192047 /nfs/dbraw/zinc/19/20/47/559192047.db2.gz YJESOCMAPVDLRH-UHFFFAOYSA-N -1 0 405.476 3.009 50 0 HGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866797 559264319 /nfs/dbraw/zinc/26/43/19/559264319.db2.gz AVZBBCQYLVZZEX-XCLFUZPHSA-N -1 0 403.475 3.438 50 0 HGAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000005307546 560563637 /nfs/dbraw/zinc/56/36/37/560563637.db2.gz DANDKJUNCIVIIX-RJYAGPCLSA-N -1 0 416.518 3.356 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)N3CCc4ccccc43)cs2)cc1 ZINC000011693243 560773583 /nfs/dbraw/zinc/77/35/83/560773583.db2.gz CWNKWUYVLMKXCI-UHFFFAOYSA-N -1 0 415.496 3.155 50 0 HGAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168470 560787531 /nfs/dbraw/zinc/78/75/31/560787531.db2.gz SPUZIUGGDXHMRU-LEWJYISDSA-N -1 0 419.485 3.304 50 0 HGAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000101260360 560789818 /nfs/dbraw/zinc/78/98/18/560789818.db2.gz XQSXTUQTFFYQMU-IRXDYDNUSA-N -1 0 400.822 3.163 50 0 HGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000101298763 560791189 /nfs/dbraw/zinc/79/11/89/560791189.db2.gz KUHOBWQIXQENBS-SFHVURJKSA-N -1 0 408.389 3.267 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1 ZINC000101311511 560791547 /nfs/dbraw/zinc/79/15/47/560791547.db2.gz TUAGTORCVWJZEF-IRXDYDNUSA-N -1 0 422.832 3.192 50 0 HGAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101417090 560794793 /nfs/dbraw/zinc/79/47/93/560794793.db2.gz LMUKJIPTFKIWLY-VQTJNVASSA-N -1 0 405.458 3.050 50 0 HGAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc(C)c2)cc1 ZINC000101802423 560802141 /nfs/dbraw/zinc/80/21/41/560802141.db2.gz XETUYIHFVVDDGH-UHFFFAOYSA-N -1 0 417.469 3.280 50 0 HGAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccccc1F ZINC000101803571 560802269 /nfs/dbraw/zinc/80/22/69/560802269.db2.gz ZICOJWWMQVDXKD-UHFFFAOYSA-N -1 0 421.432 3.111 50 0 HGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4OC)cnn32)cc1 ZINC000102820900 560829642 /nfs/dbraw/zinc/82/96/42/560829642.db2.gz QPOFAPKBIGQQKM-SFHVURJKSA-N -1 0 420.425 3.136 50 0 HGAARM Cc1ccc(C)c(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)c1 ZINC000051316678 560856546 /nfs/dbraw/zinc/85/65/46/560856546.db2.gz NYEUQEXICRQHOQ-UHFFFAOYSA-N -1 0 405.483 3.456 50 0 HGAARM CC(=O)N[C@H](CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000108117725 560897923 /nfs/dbraw/zinc/89/79/23/560897923.db2.gz CZZQPFQCSKYAJP-TUIFFPIZSA-N -1 0 404.413 3.110 50 0 HGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000627571 568456087 /nfs/dbraw/zinc/45/60/87/568456087.db2.gz HYBBUZCLWSYURK-HUUCEWRRSA-N -1 0 410.426 3.497 50 0 HGAARM CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1cccc(F)c1 ZINC000000662210 568465284 /nfs/dbraw/zinc/46/52/84/568465284.db2.gz HIISQNGURCZBMM-HNNXBMFYSA-N -1 0 401.419 3.114 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1Br ZINC000024433030 568511467 /nfs/dbraw/zinc/51/14/67/568511467.db2.gz RKXKGFVFBZKSFR-UHFFFAOYSA-N -1 0 404.213 3.096 50 0 HGAARM O=C(NCc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000020102468 568587978 /nfs/dbraw/zinc/58/79/78/568587978.db2.gz GNEKXLYWJNTJBA-UHFFFAOYSA-N -1 0 402.479 3.059 50 0 HGAARM COCCOc1cc(C)ccc1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000095424304 568607566 /nfs/dbraw/zinc/60/75/66/568607566.db2.gz XOJUAQXTIUMLMY-UHFFFAOYSA-N -1 0 409.442 3.465 50 0 HGAARM C[S@](=O)Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000095463869 568622185 /nfs/dbraw/zinc/62/21/85/568622185.db2.gz MITTVKOSUVYJSK-PUAOIOHZSA-N -1 0 424.316 3.273 50 0 HGAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)c1ncoc1C)C(=O)[O-] ZINC000095463939 568622370 /nfs/dbraw/zinc/62/23/70/568622370.db2.gz BMJXVEYOVQGMGD-MRXNPFEDSA-N -1 0 422.363 3.360 50 0 HGAARM O=C(NCc1ccccc1)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020532754 568628275 /nfs/dbraw/zinc/62/82/75/568628275.db2.gz JOELYUSPTWLPKB-UHFFFAOYSA-N -1 0 401.875 3.466 50 0 HGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCC3)C1 ZINC000095969481 568670884 /nfs/dbraw/zinc/67/08/84/568670884.db2.gz SNLMVYULKUBDSS-GFCCVEGCSA-N -1 0 407.392 3.317 50 0 HGAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000095970194 568671229 /nfs/dbraw/zinc/67/12/29/568671229.db2.gz XGLICMZLQLPMGR-OAQYLSRUSA-N -1 0 405.429 3.324 50 0 HGAARM CCCOc1c(Br)cc(C(=O)N(CCC(=O)[O-])C2CC2)cc1OC ZINC000095969857 568671293 /nfs/dbraw/zinc/67/12/93/568671293.db2.gz GVNPQCKIVSDQHJ-UHFFFAOYSA-N -1 0 400.269 3.326 50 0 HGAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3F)C2)c1 ZINC000225848606 568680382 /nfs/dbraw/zinc/68/03/82/568680382.db2.gz FQNOOIQNOOQCRR-SFHVURJKSA-N -1 0 400.406 3.385 50 0 HGAARM COc1ccc([C@@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000225849691 568680432 /nfs/dbraw/zinc/68/04/32/568680432.db2.gz BGMFOBRPYJRPDG-IBGZPJMESA-N -1 0 412.442 3.255 50 0 HGAARM Cn1cc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)[O-])cn1 ZINC000399721779 568710325 /nfs/dbraw/zinc/71/03/25/568710325.db2.gz MAIPWUOQJRPEMT-RTWAWAEBSA-N -1 0 417.465 3.469 50 0 HGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NC1CCCCCC1)c2=O ZINC000012415879 568717938 /nfs/dbraw/zinc/71/79/38/568717938.db2.gz SHCSUFRNCVEJHN-UHFFFAOYSA-N -1 0 403.504 3.075 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000096361284 568739350 /nfs/dbraw/zinc/73/93/50/568739350.db2.gz QNKUWWWLGIXQDM-CQSZACIVSA-N -1 0 414.487 3.100 50 0 HGAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c1 ZINC000000913086 568750235 /nfs/dbraw/zinc/75/02/35/568750235.db2.gz FRSSPIGMALONEN-UHFFFAOYSA-N -1 0 412.471 3.155 50 0 HGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 ZINC000000945089 568754343 /nfs/dbraw/zinc/75/43/43/568754343.db2.gz CVXNIVCNGQUMOF-UHFFFAOYSA-N -1 0 404.398 3.116 50 0 HGAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccccc2Cl)cc1 ZINC000086066732 568755281 /nfs/dbraw/zinc/75/52/81/568755281.db2.gz KVUYVCTZJQKZTF-UHFFFAOYSA-N -1 0 423.860 3.235 50 0 HGAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)cc1 ZINC000000969108 568758730 /nfs/dbraw/zinc/75/87/30/568758730.db2.gz WXCHDETYVQEOEU-QWHCGFSZSA-N -1 0 403.328 3.349 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000001023806 568763653 /nfs/dbraw/zinc/76/36/53/568763653.db2.gz BDJQUMFXFGIMBB-UHFFFAOYSA-N -1 0 422.462 3.389 50 0 HGAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468406 568768510 /nfs/dbraw/zinc/76/85/10/568768510.db2.gz LIQQOQQXAISNDD-CQSZACIVSA-N -1 0 412.346 3.448 50 0 HGAARM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022577351 568770029 /nfs/dbraw/zinc/77/00/29/568770029.db2.gz NCZPAWOJEDZLSZ-KRWDZBQOSA-N -1 0 409.515 3.483 50 0 HGAARM CCS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000002639241 568793025 /nfs/dbraw/zinc/79/30/25/568793025.db2.gz HMGJKOXMXJCYSB-UHFFFAOYSA-N -1 0 410.300 3.293 50 0 HGAARM O=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002726193 568803865 /nfs/dbraw/zinc/80/38/65/568803865.db2.gz YYKGAEDBHFUANW-UHFFFAOYSA-N -1 0 421.482 3.330 50 0 HGAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 ZINC000001196226 568823050 /nfs/dbraw/zinc/82/30/50/568823050.db2.gz GSXCJWVGOGSXDC-UHFFFAOYSA-N -1 0 402.472 3.120 50 0 HGAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O)N1CCc2ccccc21 ZINC000002970852 568831759 /nfs/dbraw/zinc/83/17/59/568831759.db2.gz LIDDCWFSSQZZPP-INIZCTEOSA-N -1 0 407.495 3.067 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1C ZINC000012521368 568841917 /nfs/dbraw/zinc/84/19/17/568841917.db2.gz RGKPBFMOZOKSQN-UHFFFAOYSA-N -1 0 411.483 3.129 50 0 HGAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012523937 568842447 /nfs/dbraw/zinc/84/24/47/568842447.db2.gz RIOJXLRNKUFPIM-OKILXGFUSA-N -1 0 408.907 3.390 50 0 HGAARM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000012551276 568853471 /nfs/dbraw/zinc/85/34/71/568853471.db2.gz CYJJCWANIINIJO-UHFFFAOYSA-N -1 0 424.544 3.061 50 0 HGAARM CCOC(=O)[C@]([N-]c1ccccc1Cl)(NC(=O)c1cccnc1)C(F)(F)F ZINC000003103509 568855537 /nfs/dbraw/zinc/85/55/37/568855537.db2.gz UHNLXNTZOFBREU-INIZCTEOSA-N -1 0 401.772 3.399 50 0 HGAARM CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)CCC(=O)[O-])c1C ZINC000003627280 568864876 /nfs/dbraw/zinc/86/48/76/568864876.db2.gz ASEIPTJQVIMPFX-UHFFFAOYSA-N -1 0 400.475 3.244 50 0 HGAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000003310339 568878363 /nfs/dbraw/zinc/87/83/63/568878363.db2.gz LVPIWSXNZXSURI-UHFFFAOYSA-N -1 0 403.464 3.225 50 0 HGAARM COc1ccc(NC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1OC ZINC000012628084 568881970 /nfs/dbraw/zinc/88/19/70/568881970.db2.gz HUIDPFQAXQNCEN-UHFFFAOYSA-N -1 0 419.484 3.213 50 0 HGAARM COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])c2ccccc2oc1=O ZINC000217646162 568901603 /nfs/dbraw/zinc/90/16/03/568901603.db2.gz FZJLVDGYXYRKEV-OAHLLOKOSA-N -1 0 421.405 3.044 50 0 biogenic HGAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000015731488 568981839 /nfs/dbraw/zinc/98/18/39/568981839.db2.gz IYZXPJCPVAFPIB-UHFFFAOYSA-N -1 0 400.431 3.493 50 0 HGAARM COc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OC ZINC000015826836 569011574 /nfs/dbraw/zinc/01/15/74/569011574.db2.gz RATHJISALLORKP-CYBMUJFWSA-N -1 0 417.487 3.081 50 0 HGAARM CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000016028311 569027898 /nfs/dbraw/zinc/02/78/98/569027898.db2.gz DFGVBCRALAMJNR-SPLOXXLWSA-N -1 0 409.438 3.453 50 0 biogenic HGAARM COc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397585 569034917 /nfs/dbraw/zinc/03/49/17/569034917.db2.gz AVZQGNHYUMIPME-UHFFFAOYSA-N -1 0 419.503 3.360 50 0 HGAARM O=C([O-])[C@@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227178841 569040034 /nfs/dbraw/zinc/04/00/34/569040034.db2.gz JKKRBOBZGKWIHX-FOIQADDNSA-N -1 0 421.453 3.343 50 0 HGAARM CC(C)(C)NC(=O)N1CCC(CNC(=O)C[C@H](CC(=O)[O-])c2cccs2)CC1 ZINC000090607337 569048977 /nfs/dbraw/zinc/04/89/77/569048977.db2.gz DWDQAEBWWBCGNI-OAHLLOKOSA-N -1 0 409.552 3.033 50 0 HGAARM CCOC(=O)[C@@H]1CCCN([C@@H](c2ccco2)c2sc3nc(CC)nn3c2[O-])C1 ZINC000016690080 569070649 /nfs/dbraw/zinc/07/06/49/569070649.db2.gz IRBPUJOHULTFDG-DOMZBBRYSA-N -1 0 404.492 3.016 50 0 HGAARM CC(NCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000006691215 569091396 /nfs/dbraw/zinc/09/13/96/569091396.db2.gz NTYLLMGYKYRMNP-FOWTUZBSSA-N -1 0 403.360 3.352 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866757 569158953 /nfs/dbraw/zinc/15/89/53/569158953.db2.gz QYDYDMQHZBWORI-AWEZNQCLSA-N -1 0 400.500 3.492 50 0 HGAARM CS(=O)(=O)c1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc2ccccc2c1 ZINC000006908382 569178679 /nfs/dbraw/zinc/17/86/79/569178679.db2.gz LXGRLQZQTCLUSY-UHFFFAOYSA-N -1 0 412.492 3.466 50 0 HGAARM O=C(NCc1ccccc1Cl)c1c([O-])c2cnn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000065249898 569205903 /nfs/dbraw/zinc/20/59/03/569205903.db2.gz RLJHGWAUDYBXAJ-UHFFFAOYSA-N -1 0 412.808 3.142 50 0 HGAARM CCOc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1 ZINC000065250040 569206000 /nfs/dbraw/zinc/20/60/00/569206000.db2.gz XGCYLNZVVIRACB-UHFFFAOYSA-N -1 0 404.426 3.379 50 0 HGAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc(F)c(Cl)cc1Cl ZINC000065552811 569235261 /nfs/dbraw/zinc/23/52/61/569235261.db2.gz DLGNJOBZLFBODL-UHFFFAOYSA-N -1 0 420.245 3.413 50 0 HGAARM O=C(NCCNC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(Br)c1 ZINC000170598488 569242386 /nfs/dbraw/zinc/24/23/86/569242386.db2.gz CWUJTKSUGHMLKC-UHFFFAOYSA-N -1 0 415.646 3.107 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C)cc3)cs2)cc1 ZINC000017042254 569272378 /nfs/dbraw/zinc/27/23/78/569272378.db2.gz MFSZHPHKVJCSFW-UHFFFAOYSA-N -1 0 417.512 3.442 50 0 HGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002092429 569280449 /nfs/dbraw/zinc/28/04/49/569280449.db2.gz DYMMQMVMCMFSOO-KXBFYZLASA-N -1 0 423.465 3.243 50 0 biogenic HGAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002099315 569281155 /nfs/dbraw/zinc/28/11/55/569281155.db2.gz QVQHRPAJURWGDK-HNNXBMFYSA-N -1 0 403.456 3.021 50 0 biogenic HGAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002105368 569282993 /nfs/dbraw/zinc/28/29/93/569282993.db2.gz WTWUMCLAIXHOQK-XJKSGUPXSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002160406 569292056 /nfs/dbraw/zinc/29/20/56/569292056.db2.gz YWBZKROXENKHEW-UHFFFAOYSA-N -1 0 409.369 3.397 50 0 biogenic HGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000007708908 569301567 /nfs/dbraw/zinc/30/15/67/569301567.db2.gz QGCOBQYAONJZHV-UHFFFAOYSA-N -1 0 410.879 3.285 50 0 HGAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007780808 569310056 /nfs/dbraw/zinc/31/00/56/569310056.db2.gz BSYKVMBNFFJCIM-BUBBNXEVSA-N -1 0 405.516 3.389 50 0 HGAARM CC[C@H]1CCc2nc3sc(C(=O)NCC(=O)[O-])c(N)c3c(C(F)(F)F)c2C1 ZINC000012858039 569404072 /nfs/dbraw/zinc/40/40/72/569404072.db2.gz FEVRTWJJTBZBHO-ZETCQYMHSA-N -1 0 401.410 3.227 50 0 HGAARM Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc4c3CCC4)cc2)n[nH]1 ZINC000079103102 569427465 /nfs/dbraw/zinc/42/74/65/569427465.db2.gz OLSRJULOEVXYKL-UHFFFAOYSA-N -1 0 413.455 3.498 50 0 HGAARM Cc1nn(-c2nnc(C)c(=O)[n-]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000008584529 571083199 /nfs/dbraw/zinc/08/31/99/571083199.db2.gz ZSDGRXJQEOMTDM-UHFFFAOYSA-N -1 0 412.519 3.130 50 0 HGAARM CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000008588127 571084095 /nfs/dbraw/zinc/08/40/95/571084095.db2.gz WSWNVAUQYMGQBI-HNNXBMFYSA-N -1 0 418.500 3.135 50 0 HGAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NCCc1ccccc1 ZINC000008977754 571198138 /nfs/dbraw/zinc/19/81/38/571198138.db2.gz NUEVDHVEKPVWFR-UHFFFAOYSA-N -1 0 401.513 3.225 50 0 HGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000040150865 571199088 /nfs/dbraw/zinc/19/90/88/571199088.db2.gz NWUVZIVAYGNAKD-UHFFFAOYSA-N -1 0 407.498 3.497 50 0 HGAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009467545 571261215 /nfs/dbraw/zinc/26/12/15/571261215.db2.gz RCIHHSUQCCODSO-UHFFFAOYSA-N -1 0 424.544 3.061 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCc1c(F)cccc1F ZINC000009828732 571287002 /nfs/dbraw/zinc/28/70/02/571287002.db2.gz AREIXSLKPIQQCZ-UHFFFAOYSA-N -1 0 423.466 3.081 50 0 HGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCc1ccccc1Cl ZINC000009828687 571287006 /nfs/dbraw/zinc/28/70/06/571287006.db2.gz LXRBCYOTXTYFBS-UHFFFAOYSA-N -1 0 421.931 3.456 50 0 HGAARM O=C(CSC1=NC(=O)C(c2ccccc2)C([O-])=N1)Nc1nc2ccccc2s1 ZINC000009907704 571290013 /nfs/dbraw/zinc/29/00/13/571290013.db2.gz VAVIEPROZVEZMS-UHFFFAOYSA-N -1 0 410.480 3.483 50 0 HGAARM O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009911777 571290040 /nfs/dbraw/zinc/29/00/40/571290040.db2.gz NQWJDGMLWDQWCX-UHFFFAOYSA-N -1 0 416.480 3.208 50 0 HGAARM COC(=O)c1ccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccccc3)c2=O)cc1 ZINC000010166774 571295660 /nfs/dbraw/zinc/29/56/60/571295660.db2.gz KWMIFXCIGDGASN-UHFFFAOYSA-N -1 0 402.410 3.061 50 0 HGAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1c(Cl)cccc1Cl ZINC000010518300 571304131 /nfs/dbraw/zinc/30/41/31/571304131.db2.gz QNJKCEGMSCICIU-UHFFFAOYSA-N -1 0 421.327 3.235 50 0 HGAARM Cc1cc(S(=O)(=O)[N-]c2ccccn2)c(Br)cc1Br ZINC000054363027 571307903 /nfs/dbraw/zinc/30/79/03/571307903.db2.gz OMHQLLQDVXTUBM-UHFFFAOYSA-N -1 0 406.099 3.716 50 0 HGAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000004956980 132296899 /nfs/dbraw/zinc/29/68/99/132296899.db2.gz ZFTZZSJQPNXAFX-HZPDHXFCSA-N -1 0 412.515 3.353 50 0 HGAARM COc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000005031078 132298906 /nfs/dbraw/zinc/29/89/06/132298906.db2.gz VNMQRRCILCRRLN-BOPFTXTBSA-N -1 0 415.833 3.326 50 0 HGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000006660811 132312728 /nfs/dbraw/zinc/31/27/28/132312728.db2.gz KCNYNNFEZOVPBD-UHFFFAOYSA-N -1 0 412.873 3.352 50 0 HGAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CC(=O)Nc2ccccc21 ZINC000012854406 132367853 /nfs/dbraw/zinc/36/78/53/132367853.db2.gz IUBPZANFKXPNMI-UHFFFAOYSA-N -1 0 413.480 3.148 50 0 HGAARM CC1CCN(C(=O)c2csc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)CC1 ZINC000045961671 520990497 /nfs/dbraw/zinc/99/04/97/520990497.db2.gz YIILPWKPYBCBGI-UHFFFAOYSA-N -1 0 408.501 3.150 50 0 HGAARM CCCCn1nc(C)c(/C=C2/C(=O)N(CC(=O)[O-])C(=O)c3ccccc32)c1Cl ZINC000032741445 521397415 /nfs/dbraw/zinc/39/74/15/521397415.db2.gz ZYFRHBDZMGLOMT-MHWRWJLKSA-N -1 0 401.850 3.253 50 0 HGAARM Cc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cnn1-c1ccc(F)cc1F ZINC000032945658 525559060 /nfs/dbraw/zinc/55/90/60/525559060.db2.gz ONEORPXUWMSBSL-UHFFFAOYSA-N -1 0 415.425 3.029 50 0 HGAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@@H]1C(=O)c1ccc(F)cc1 ZINC000032597846 526293292 /nfs/dbraw/zinc/29/32/92/526293292.db2.gz VLJQADBFDVUVNF-LALPHHSUSA-N -1 0 405.428 3.358 50 0 HGAARM O=C([O-])c1ccc(-n2nnnc2SCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000019853344 526359808 /nfs/dbraw/zinc/35/98/08/526359808.db2.gz WBDNCUZXMKKJGE-UHFFFAOYSA-N -1 0 403.851 3.135 50 0 HGAARM O=C([O-])c1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c1 ZINC000020272601 526391964 /nfs/dbraw/zinc/39/19/64/526391964.db2.gz KVAODQBQUMDJEF-UHFFFAOYSA-N -1 0 408.863 3.221 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000040312433 526396472 /nfs/dbraw/zinc/39/64/72/526396472.db2.gz TYZDGXBLKTYUEW-IBGZPJMESA-N -1 0 406.398 3.016 50 0 biogenic HGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017089857 527658126 /nfs/dbraw/zinc/65/81/26/527658126.db2.gz XPCIEODDRXWCBW-ZIAGYGMSSA-N -1 0 414.483 3.365 50 0 HGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000639011 557031265 /nfs/dbraw/zinc/03/12/65/557031265.db2.gz OIGQALCFJSCNPV-UHFFFAOYSA-N -1 0 402.259 3.462 50 0 HGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1OCc1ccccc1F ZINC000000659689 557042625 /nfs/dbraw/zinc/04/26/25/557042625.db2.gz CFTXPEKUUGREGH-MKMNVTDBSA-N -1 0 421.222 3.356 50 0 HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)n1 ZINC000000696122 557061747 /nfs/dbraw/zinc/06/17/47/557061747.db2.gz ORFNIERAQQFGCW-UHFFFAOYSA-N -1 0 403.508 3.348 50 0 HGAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccs1 ZINC000000812379 557088095 /nfs/dbraw/zinc/08/80/95/557088095.db2.gz BBMSFOKXSFGWJV-UHFFFAOYSA-N -1 0 412.489 3.489 50 0 HGAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1cccnc1 ZINC000001041554 557153671 /nfs/dbraw/zinc/15/36/71/557153671.db2.gz GAIWPVTYCYLGDP-NHCUHLMSSA-N -1 0 402.406 3.376 50 0 HGAARM O=C([O-])c1cc(NC(=O)COc2ccccc2)cc(NC(=O)COc2ccccc2)c1 ZINC000001215929 557245746 /nfs/dbraw/zinc/24/57/46/557245746.db2.gz RZFNIZJTLFKUNN-UHFFFAOYSA-N -1 0 420.421 3.420 50 0 HGAARM CC(C)(C)OC(=O)N[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002547572 557355657 /nfs/dbraw/zinc/35/56/57/557355657.db2.gz AWCFKRJSLGKRNA-GOSISDBHSA-N -1 0 412.442 3.461 50 0 HGAARM CCOc1ccc(N2C(=O)[C@H]3C(C(C)=O)=NN(c4ccccc4Cl)C3=C2[O-])cc1 ZINC000004670725 557579310 /nfs/dbraw/zinc/57/93/10/557579310.db2.gz BXUMKEUQRSWZDZ-PKOBYXMFSA-N -1 0 411.845 3.062 50 0 HGAARM COc1ccc([C@H](OCC(=O)[O-])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000004710412 557585741 /nfs/dbraw/zinc/58/57/41/557585741.db2.gz IUOYSTUUNZSRJH-QFIPXVFZSA-N -1 0 413.426 3.460 50 0 HGAARM CCOc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000004754669 557593315 /nfs/dbraw/zinc/59/33/15/557593315.db2.gz HVTOIVQOEICGBF-YBEGLDIGSA-N -1 0 412.467 3.050 50 0 HGAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004899622 557611221 /nfs/dbraw/zinc/61/12/21/557611221.db2.gz FGUNAJHARUGMEF-PMACEKPBSA-N -1 0 412.486 3.140 50 0 HGAARM O=C([O-])CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000006165715 557692432 /nfs/dbraw/zinc/69/24/32/557692432.db2.gz JEUYQGQJDXAVTL-UHFFFAOYSA-N -1 0 418.696 3.378 50 0 HGAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccn(Cc2c(Cl)cccc2Cl)n1 ZINC000002804834 557763568 /nfs/dbraw/zinc/76/35/68/557763568.db2.gz DHJGVYGVAIUHGA-UHFFFAOYSA-N -1 0 400.291 3.081 50 0 HGAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2ccccc2Cl)cc1Cl ZINC000002804889 557763591 /nfs/dbraw/zinc/76/35/91/557763591.db2.gz LBFOFBNOSDLFEZ-UHFFFAOYSA-N -1 0 400.291 3.081 50 0 HGAARM CCc1nc2sc([C@@H](c3cccc(Br)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854197 557839350 /nfs/dbraw/zinc/83/93/50/557839350.db2.gz PDYPEMKHAYSSGH-CQSZACIVSA-N -1 0 423.336 3.243 50 0 HGAARM O=C(CSc1nnc(Cc2cccc(Br)c2)c(=O)[n-]1)c1ccccc1 ZINC000019897645 558304148 /nfs/dbraw/zinc/30/41/48/558304148.db2.gz FWHYJACHYGZWSJ-UHFFFAOYSA-N -1 0 416.300 3.493 50 0 HGAARM COc1ccc(F)cc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccc3nccnc3c2)C1 ZINC000012407920 558398919 /nfs/dbraw/zinc/39/89/19/558398919.db2.gz KBMAYINBHLWZAQ-LJQANCHMSA-N -1 0 422.416 3.320 50 0 HGAARM [O-]C(c1cccs1)=C1[C@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000004387919 558488194 /nfs/dbraw/zinc/48/81/94/558488194.db2.gz STEYOCFEPKCBKG-SLEUVZQESA-N -1 0 404.410 3.156 50 0 HGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000013469678 558533771 /nfs/dbraw/zinc/53/37/71/558533771.db2.gz NHWSVAGUASKVBH-CVEARBPZSA-N -1 0 418.446 3.232 50 0 HGAARM Cc1ccnc(SCc2cc(=O)c3c([n-]n(-c4nc5ccccc5s4)c3=O)[nH]2)n1 ZINC000013591534 558546060 /nfs/dbraw/zinc/54/60/60/558546060.db2.gz YUDMNAAQLIMKFX-UHFFFAOYSA-N -1 0 422.495 3.008 50 0 HGAARM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000004486726 558604020 /nfs/dbraw/zinc/60/40/20/558604020.db2.gz QWDDNWSITVQASH-HNNXBMFYSA-N -1 0 404.488 3.167 50 0 HGAARM COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(=O)[n-]2)cc1 ZINC000024747910 558609655 /nfs/dbraw/zinc/60/96/55/558609655.db2.gz QPXIIFVZWXWEJB-UHFFFAOYSA-N -1 0 404.398 3.262 50 0 HGAARM O=C([O-])c1cc(S(=O)(=O)N2CCS[C@H](c3cccs3)CC2)ccc1F ZINC000219556935 558616187 /nfs/dbraw/zinc/61/61/87/558616187.db2.gz VMYUDMOHOZDYPA-HNNXBMFYSA-N -1 0 401.506 3.454 50 0 HGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000024924893 558620607 /nfs/dbraw/zinc/62/06/07/558620607.db2.gz IOALXEYPHRUYMF-UHFFFAOYSA-N -1 0 405.476 3.497 50 0 HGAARM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000028248001 558693554 /nfs/dbraw/zinc/69/35/54/558693554.db2.gz UZUBJKLQICKOHZ-UHFFFAOYSA-N -1 0 416.933 3.462 50 0 HGAARM O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000029020333 558708460 /nfs/dbraw/zinc/70/84/60/558708460.db2.gz NLZHLWYVSIFTTG-UHFFFAOYSA-N -1 0 400.485 3.080 50 0 HGAARM COc1cccc(Cn2c(=O)cc3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2C)c1 ZINC000015108095 558723516 /nfs/dbraw/zinc/72/35/16/558723516.db2.gz HSVFGBBGIXQLNI-UHFFFAOYSA-N -1 0 418.478 3.456 50 0 HGAARM COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)cs2)cc1OC ZINC000030819265 558738854 /nfs/dbraw/zinc/73/88/54/558738854.db2.gz HNCIVIJKXGXEGA-IBGZPJMESA-N -1 0 412.467 3.312 50 0 HGAARM COc1ccc(/C=C(/NC(=O)c2ccccc2I)C(=O)[O-])cc1 ZINC000015722995 558749843 /nfs/dbraw/zinc/74/98/43/558749843.db2.gz RYZVOHOLYGNONV-XNTDXEJSSA-N -1 0 423.206 3.155 50 0 HGAARM O=C([O-])C[C@@H](CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000004577445 558756556 /nfs/dbraw/zinc/75/65/56/558756556.db2.gz NAQMOTAHFFYIFD-SFHVURJKSA-N -1 0 422.481 3.218 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016648847 558797783 /nfs/dbraw/zinc/79/77/83/558797783.db2.gz WOOYAXICNMEOQJ-UHFFFAOYSA-N -1 0 406.529 3.454 50 0 HGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)NCc1ccco1 ZINC000017082412 558814602 /nfs/dbraw/zinc/81/46/02/558814602.db2.gz AHWMFRQBBAOHRQ-DCNYZXSGSA-N -1 0 402.472 3.347 50 0 HGAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000017090103 558818700 /nfs/dbraw/zinc/81/87/00/558818700.db2.gz DHCAANZPRVPCHA-KBPBESRZSA-N -1 0 414.574 3.216 50 0 HGAARM CCc1ccc(NC(=O)c2c(NC(=O)COCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017090656 558819335 /nfs/dbraw/zinc/81/93/35/558819335.db2.gz KBKPKPXWMCSIFL-UHFFFAOYSA-N -1 0 416.499 3.481 50 0 HGAARM CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]c(=S)[nH]c1=O ZINC000017196745 558825523 /nfs/dbraw/zinc/82/55/23/558825523.db2.gz QMOHZYMGGDSCFX-UHFFFAOYSA-N -1 0 404.517 3.296 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc2sc(NC(C)=O)nc21 ZINC000033007958 558828812 /nfs/dbraw/zinc/82/88/12/558828812.db2.gz AOGHXJCHXPNGHF-UHFFFAOYSA-N -1 0 413.427 3.342 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc2sc(NC(C)=O)nc21 ZINC000033007966 558828833 /nfs/dbraw/zinc/82/88/33/558828833.db2.gz QTNLREVQLUBBBI-UHFFFAOYSA-N -1 0 419.484 3.267 50 0 HGAARM O=C([O-])C1CCC(CNC(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)CC1 ZINC000061717974 558946272 /nfs/dbraw/zinc/94/62/72/558946272.db2.gz RMZBFTXUMFPUPF-UHFFFAOYSA-N -1 0 419.481 3.071 50 0 HGAARM [O-]c1c([C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031038 558985223 /nfs/dbraw/zinc/98/52/23/558985223.db2.gz FJZBOIJTGZBOTN-KRWDZBQOSA-N -1 0 411.556 3.465 50 0 HGAARM CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)[O-])C(=O)C12CCCC2 ZINC000085221457 559056519 /nfs/dbraw/zinc/05/65/19/559056519.db2.gz LENNFQOUZCABOS-INIZCTEOSA-N -1 0 424.444 3.483 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C(C)C)cc4)c=3c2=O)cc1 ZINC000100033075 559128852 /nfs/dbraw/zinc/12/88/52/559128852.db2.gz AVYDVNCKZDPXGU-PMACEKPBSA-N -1 0 405.458 3.050 50 0 HGAARM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1c(F)cccc1Cl ZINC000011665757 559146485 /nfs/dbraw/zinc/14/64/85/559146485.db2.gz GGGBYXLWXMYEQP-UHFFFAOYSA-N -1 0 418.215 3.412 50 0 HGAARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205972492 559197740 /nfs/dbraw/zinc/19/77/40/559197740.db2.gz GWWCYOBPSRJXEE-HNNXBMFYSA-N -1 0 409.829 3.297 50 0 HGAARM CCCn1c2ccccc2c([O-])c(C(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000100621156 559244287 /nfs/dbraw/zinc/24/42/87/559244287.db2.gz GZISUYVUSFFBIE-UHFFFAOYSA-N -1 0 410.470 3.107 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000011866830 559264339 /nfs/dbraw/zinc/26/43/39/559264339.db2.gz MGHCIGMRLGCRMV-VPZZIHKRSA-N -1 0 401.459 3.055 50 0 HGAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000011866831 559264357 /nfs/dbraw/zinc/26/43/57/559264357.db2.gz MGHCIGMRLGCRMV-NQCMUKECSA-N -1 0 401.459 3.055 50 0 HGAARM Cc1ccn2nc(C(=O)[N-]c3nn4cc(-c5ccc(Cl)cc5)nc4s3)nc2n1 ZINC000005267677 560554265 /nfs/dbraw/zinc/55/42/65/560554265.db2.gz IMKZEEUPLDYFHJ-UHFFFAOYSA-N -1 0 410.850 3.110 50 0 HGAARM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001768721 560558396 /nfs/dbraw/zinc/55/83/96/560558396.db2.gz PJKGTIODKVJHNN-UHFFFAOYSA-N -1 0 412.471 3.075 50 0 HGAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000005497959 560598182 /nfs/dbraw/zinc/59/81/82/560598182.db2.gz SILXYWQSVVPELK-CVEARBPZSA-N -1 0 403.895 3.449 50 0 HGAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)cc3OC)ccc21 ZINC000017248186 560704958 /nfs/dbraw/zinc/70/49/58/560704958.db2.gz YGROVCZLABJAIJ-UHFFFAOYSA-N -1 0 404.488 3.194 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000000857806 560725999 /nfs/dbraw/zinc/72/59/99/560725999.db2.gz XNIRHVFLNHVUPY-UHFFFAOYSA-N -1 0 402.266 3.276 50 0 HGAARM O=C([O-])CNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1Cl ZINC000018191805 560782040 /nfs/dbraw/zinc/78/20/40/560782040.db2.gz VGLPCPPQCBXXIA-UNOMPAQXSA-N -1 0 408.841 3.465 50 0 HGAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168453 560787523 /nfs/dbraw/zinc/78/75/23/560787523.db2.gz LNSJSJPJXKGNAU-VQTJNVASSA-N -1 0 405.458 3.050 50 0 HGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1Cl ZINC000101169227 560787624 /nfs/dbraw/zinc/78/76/24/560787624.db2.gz GXJBAEVXEWZFHZ-HOTGVXAUSA-N -1 0 405.241 3.495 50 0 HGAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1OC ZINC000101260320 560789766 /nfs/dbraw/zinc/78/97/66/560789766.db2.gz XHDUYLPRWODJIZ-SJORKVTESA-N -1 0 400.822 3.163 50 0 HGAARM COc1ccccc1CNC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301779 560791273 /nfs/dbraw/zinc/79/12/73/560791273.db2.gz PJUPSLQFUKDOAJ-UHFFFAOYSA-N -1 0 401.422 3.030 50 0 HGAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000101494858 560796071 /nfs/dbraw/zinc/79/60/71/560796071.db2.gz NCNFUOFBODXNLU-MRXNPFEDSA-N -1 0 414.531 3.370 50 0 HGAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)C2CCCCC2)cc1 ZINC000101802451 560802133 /nfs/dbraw/zinc/80/21/33/560802133.db2.gz BIKQOXATJMUGGH-UHFFFAOYSA-N -1 0 409.490 3.238 50 0 HGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4F)cnn32)cc1 ZINC000101836367 560803694 /nfs/dbraw/zinc/80/36/94/560803694.db2.gz QSUZHDVLKPSQBP-SFHVURJKSA-N -1 0 408.389 3.267 50 0 HGAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000013358964 560805910 /nfs/dbraw/zinc/80/59/10/560805910.db2.gz YQARMQXMDCGPHN-UHFFFAOYSA-N -1 0 400.250 3.265 50 0 HGAARM CCn1c(=O)c2ccc(C(=O)NCc3cccc(Br)c3)cc2[n-]c1=S ZINC000103063566 560837178 /nfs/dbraw/zinc/83/71/78/560837178.db2.gz PZIKBHZKYZWSGP-UHFFFAOYSA-N -1 0 418.316 3.398 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1Cl ZINC000101262189 560851463 /nfs/dbraw/zinc/85/14/63/560851463.db2.gz HSZGVDYKASHYPC-IRXDYDNUSA-N -1 0 422.832 3.192 50 0 HGAARM CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854261 568415639 /nfs/dbraw/zinc/41/56/39/568415639.db2.gz XCYNIZZRLSXEAL-AWEZNQCLSA-N -1 0 412.437 3.499 50 0 HGAARM Cc1cc(C)nc([N-]c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cs2)n1 ZINC000049032321 568445905 /nfs/dbraw/zinc/44/59/05/568445905.db2.gz WLBUDENLSFMNMC-UHFFFAOYSA-N -1 0 410.503 3.382 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(F)cc2Cl)cc1 ZINC000049003442 568446440 /nfs/dbraw/zinc/44/64/40/568446440.db2.gz VTBSVXVCFHXSDL-UHFFFAOYSA-N -1 0 422.869 3.241 50 0 HGAARM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)[O-])[C@H]21 ZINC000216626825 568466143 /nfs/dbraw/zinc/46/61/43/568466143.db2.gz QEDODJDYRRBDSB-NRFANRHFSA-N -1 0 424.453 3.464 50 0 biogenic HGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)s1 ZINC000000755010 568472123 /nfs/dbraw/zinc/47/21/23/568472123.db2.gz GVAQBFTXFBDODL-UHFFFAOYSA-N -1 0 418.500 3.162 50 0 HGAARM COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)C(C)C)[n-]c2=O)cc1 ZINC000012348440 568495374 /nfs/dbraw/zinc/49/53/74/568495374.db2.gz HGNWVIVEFWSFFN-UHFFFAOYSA-N -1 0 424.526 3.298 50 0 HGAARM COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000020035246 568586453 /nfs/dbraw/zinc/58/64/53/568586453.db2.gz PZSKDZBIOJAYFX-OKPNHQCWSA-N -1 0 424.497 3.390 50 0 HGAARM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000095454510 568616292 /nfs/dbraw/zinc/61/62/92/568616292.db2.gz BGMLFELMDXJRTR-UHFFFAOYSA-N -1 0 412.876 3.199 50 0 HGAARM O=S(=O)([N-]c1nc2ccccc2n1-c1ccccc1)c1cnn(CC(F)F)c1 ZINC000225418761 568636283 /nfs/dbraw/zinc/63/62/83/568636283.db2.gz HOHZRPDOZYMBQV-UHFFFAOYSA-N -1 0 403.414 3.288 50 0 HGAARM CCO[C@@H]1C[C@](NC(=O)Nc2ccc(OC)c(OC(F)F)c2)(C(=O)[O-])C1(C)C ZINC000225487364 568642129 /nfs/dbraw/zinc/64/21/29/568642129.db2.gz GCJUEPRTSRRBOI-ACJLOTCBSA-N -1 0 402.394 3.077 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1Cl ZINC000021028533 568658762 /nfs/dbraw/zinc/65/87/62/568658762.db2.gz NZGUINJSDJQYBP-UHFFFAOYSA-N -1 0 400.909 3.447 50 0 HGAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC(=O)Nc1ccc(F)cc1C)CC2 ZINC000021046060 568660372 /nfs/dbraw/zinc/66/03/72/568660372.db2.gz IVTNAURQTOYATO-SFHVURJKSA-N -1 0 416.449 3.164 50 0 HGAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3OC)C2)c1 ZINC000225848711 568680239 /nfs/dbraw/zinc/68/02/39/568680239.db2.gz BOPDHQLUSYWNPT-GOSISDBHSA-N -1 0 412.442 3.255 50 0 HGAARM COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])cc1Br ZINC000058357599 568699405 /nfs/dbraw/zinc/69/94/05/568699405.db2.gz BOGIOCUHJGYKBD-UHFFFAOYSA-N -1 0 400.250 3.265 50 0 HGAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000000849919 568710988 /nfs/dbraw/zinc/71/09/88/568710988.db2.gz RREDHICTOYVTIE-OLJONYEBSA-N -1 0 409.441 3.318 50 0 HGAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361062 568738951 /nfs/dbraw/zinc/73/89/51/568738951.db2.gz DSCWCCCKQWWNOY-UHFFFAOYSA-N -1 0 410.377 3.482 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000000890347 568740878 /nfs/dbraw/zinc/74/08/78/568740878.db2.gz UCCYYUVARKTOLH-KRWDZBQOSA-N -1 0 400.406 3.385 50 0 HGAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000021883353 568758032 /nfs/dbraw/zinc/75/80/32/568758032.db2.gz XLFDWMRZDZJIIF-UHFFFAOYSA-N -1 0 407.467 3.264 50 0 HGAARM Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)Nc1ccccc1N1CCCC1=O ZINC000025463132 568771947 /nfs/dbraw/zinc/77/19/47/568771947.db2.gz AWHYZEMRRCQMTF-UHFFFAOYSA-N -1 0 422.457 3.091 50 0 HGAARM O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002634242 568791693 /nfs/dbraw/zinc/79/16/93/568791693.db2.gz WKVNBFMXHPLXSG-UHFFFAOYSA-N -1 0 400.485 3.008 50 0 HGAARM O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002932474 568818467 /nfs/dbraw/zinc/81/84/67/568818467.db2.gz TYDZBRDEKWKHGS-CQSZACIVSA-N -1 0 401.513 3.078 50 0 HGAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccccn1 ZINC000012521185 568841715 /nfs/dbraw/zinc/84/17/15/568841715.db2.gz JAPAHSODUDVSOC-UHFFFAOYSA-N -1 0 413.474 3.302 50 0 HGAARM CCOc1cc2c(cc1COC(=O)c1ccccc1[N-]S(C)(=O)=O)O[C@@H](C)C2 ZINC000012532477 568844320 /nfs/dbraw/zinc/84/43/20/568844320.db2.gz JLVOBUWCAJIDRF-ZDUSSCGKSA-N -1 0 405.472 3.137 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1COc2ccccc2C1 ZINC000012561014 568858382 /nfs/dbraw/zinc/85/83/82/568858382.db2.gz MHMPJXSVPGKTCF-AWEZNQCLSA-N -1 0 415.496 3.134 50 0 HGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000012605810 568871200 /nfs/dbraw/zinc/87/12/00/568871200.db2.gz LQTKETOBGZFGQZ-UHFFFAOYSA-N -1 0 406.204 3.315 50 0 HGAARM CCCc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000012785056 568959575 /nfs/dbraw/zinc/95/95/75/568959575.db2.gz ZPBIFUQQEOLALB-QGZVFWFLSA-N -1 0 407.488 3.151 50 0 HGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C ZINC000015669327 568960990 /nfs/dbraw/zinc/96/09/90/568960990.db2.gz XROWSGQGMLCJQY-UHFFFAOYSA-N -1 0 405.863 3.208 50 0 HGAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccccc1Cl ZINC000008380223 568996232 /nfs/dbraw/zinc/99/62/32/568996232.db2.gz LTTMUYCBJPFRRE-MRXNPFEDSA-N -1 0 412.902 3.104 50 0 HGAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c1C ZINC000085597894 569002676 /nfs/dbraw/zinc/00/26/76/569002676.db2.gz PUNGCHPHPVAHON-UHFFFAOYSA-N -1 0 416.883 3.280 50 0 HGAARM Cc1ccc(-c2noc(-c3c[n-]c4ccc(S(=O)(=O)NC(C)C)cc4c3=O)n2)cc1 ZINC000009941283 569039293 /nfs/dbraw/zinc/03/92/93/569039293.db2.gz SAJRKZFXZASTJU-UHFFFAOYSA-N -1 0 424.482 3.240 50 0 HGAARM Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(CC(=O)[O-])cc2)n1 ZINC000035558511 569044821 /nfs/dbraw/zinc/04/48/21/569044821.db2.gz WBHOXUJLWXHTSD-UHFFFAOYSA-N -1 0 422.510 3.498 50 0 HGAARM Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000035684473 569049428 /nfs/dbraw/zinc/04/94/28/569049428.db2.gz ONZCJCBQGGBLPR-QGZVFWFLSA-N -1 0 404.426 3.387 50 0 HGAARM COc1ccc([C@@H]2NC(=O)N(C)[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000245246783 569055355 /nfs/dbraw/zinc/05/53/55/569055355.db2.gz NNPDITMUQOSOIH-JTDSTZFVSA-N -1 0 408.376 3.141 50 0 HGAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000100621300 569069816 /nfs/dbraw/zinc/06/98/16/569069816.db2.gz HDFRJBVUJBODIV-UHFFFAOYSA-N -1 0 406.438 3.472 50 0 biogenic HGAARM CCOC(=O)C1=C(NS(=O)(=O)c2ccccc2F)[N-]c2ccccc2N=C1CC ZINC000006623407 569075066 /nfs/dbraw/zinc/07/50/66/569075066.db2.gz NUKKHFVVWVWLMN-UHFFFAOYSA-N -1 0 417.462 3.487 50 0 HGAARM C[C@@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)[O-])c(=O)n3Cc1ccc(Cl)cc1 ZINC000006759971 569113267 /nfs/dbraw/zinc/11/32/67/569113267.db2.gz JOKCJOVFKLPGGN-LLVKDONJSA-N -1 0 418.902 3.136 50 0 HGAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCCCC2)c2ccc(Br)cc21 ZINC000036365394 569152227 /nfs/dbraw/zinc/15/22/27/569152227.db2.gz MORVDEFWDBCYGK-KRWDZBQOSA-N -1 0 409.280 3.490 50 0 HGAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)cc(OC)c1 ZINC000065246403 569205510 /nfs/dbraw/zinc/20/55/10/569205510.db2.gz YLXJJBSCUPNFIJ-UHFFFAOYSA-N -1 0 405.432 3.415 50 0 HGAARM CCc1ccc(CNC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)cc1 ZINC000065249892 569205944 /nfs/dbraw/zinc/20/59/44/569205944.db2.gz GIPVTAKEYBMCPW-UHFFFAOYSA-N -1 0 406.417 3.051 50 0 HGAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)cc2c(=O)[nH]nc1-2 ZINC000524732481 569213228 /nfs/dbraw/zinc/21/32/28/569213228.db2.gz HYCRMXCQLQSPDB-ZDUSSCGKSA-N -1 0 410.213 3.246 50 0 HGAARM COc1ccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccccc3)c2=O)c(OC)c1 ZINC000007424068 569238029 /nfs/dbraw/zinc/23/80/29/569238029.db2.gz YCDMQMLSPRXCOD-UHFFFAOYSA-N -1 0 404.426 3.292 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)cc1F ZINC000170618565 569247924 /nfs/dbraw/zinc/24/79/24/569247924.db2.gz OJXMCPCWZQNHEF-MLGOLLRUSA-N -1 0 417.466 3.178 50 0 HGAARM [O-]C(c1cccs1)=C1[C@@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170623521 569249827 /nfs/dbraw/zinc/24/98/27/569249827.db2.gz STEYOCFEPKCBKG-ZOWXZIJZSA-N -1 0 404.410 3.156 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000009881810 569251152 /nfs/dbraw/zinc/25/11/52/569251152.db2.gz JVJNIWIPHAEEIN-UHFFFAOYSA-N -1 0 400.456 3.014 50 0 HGAARM Cc1ncc(CO)c(CN=Nc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)c1O ZINC000254311236 569254324 /nfs/dbraw/zinc/25/43/24/569254324.db2.gz XMXUANXEWGDGKV-UHFFFAOYSA-N -1 0 405.625 3.087 50 0 HGAARM C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000013579351 569256480 /nfs/dbraw/zinc/25/64/80/569256480.db2.gz MQUMIYYNVPSIEP-BENRWUELSA-N -1 0 416.817 3.105 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCc3ccco3)cs2)cc1 ZINC000016848596 569265438 /nfs/dbraw/zinc/26/54/38/569265438.db2.gz LZMPYFIDPDLUIK-UHFFFAOYSA-N -1 0 405.501 3.094 50 0 HGAARM Cc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)ccc12 ZINC000002087182 569279880 /nfs/dbraw/zinc/27/98/80/569279880.db2.gz MJBZORKOZMBVFI-UHFFFAOYSA-N -1 0 421.449 3.125 50 0 biogenic HGAARM COc1ccc2c(C)c(CCC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc2c1 ZINC000002097941 569281059 /nfs/dbraw/zinc/28/10/59/569281059.db2.gz XCZUEXMXPCXDMO-UHFFFAOYSA-N -1 0 401.459 3.050 50 0 biogenic HGAARM CC(=O)Nc1ccc(CC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000236596001 569281795 /nfs/dbraw/zinc/28/17/95/569281795.db2.gz KOBMNONZTZVWDS-OAQYLSRUSA-N -1 0 404.466 3.400 50 0 HGAARM C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002107856 569283235 /nfs/dbraw/zinc/28/32/35/569283235.db2.gz SVYPFMPUTFLZBK-SZNDQCEHSA-N -1 0 421.449 3.381 50 0 biogenic HGAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002118260 569284733 /nfs/dbraw/zinc/28/47/33/569284733.db2.gz ZIJZMHVMJCIGHL-CXAGYDPISA-N -1 0 401.459 3.117 50 0 biogenic HGAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002155998 569290370 /nfs/dbraw/zinc/29/03/70/569290370.db2.gz FYRDRWHCLLNEML-PJFSTRORSA-N -1 0 403.475 3.437 50 0 biogenic HGAARM O=C([O-])C1CCC(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000170672341 569297774 /nfs/dbraw/zinc/29/77/74/569297774.db2.gz TWBMRRUBCUIMOZ-IBJNJLKFSA-N -1 0 416.337 3.097 50 0 HGAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Oc3cccnc3)cc2c(=O)[nH]1 ZINC000253537718 569317952 /nfs/dbraw/zinc/31/79/52/569317952.db2.gz PZFJJOARAGZOOF-UHFFFAOYSA-N -1 0 410.411 3.029 50 0 HGAARM Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2oc1=O ZINC000252695028 569320298 /nfs/dbraw/zinc/32/02/98/569320298.db2.gz TYLFKCCYMUAHSL-HDJSIYSDSA-N -1 0 421.877 3.449 50 0 biogenic HGAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccc(C)c(F)c3)o2)c1C ZINC000253432461 569369907 /nfs/dbraw/zinc/36/99/07/569369907.db2.gz KLTKUXIGMZPOSB-UHFFFAOYSA-N -1 0 405.407 3.080 50 0 HGAARM COc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c(OC)c1 ZINC000013348794 569411049 /nfs/dbraw/zinc/41/10/49/569411049.db2.gz UBKNEIFXCUCJIW-UHFFFAOYSA-N -1 0 422.488 3.329 50 0 HGAARM COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013400794 569413364 /nfs/dbraw/zinc/41/33/64/569413364.db2.gz FTPJFRAFKJQZFJ-QGOAFFKASA-N -1 0 406.394 3.396 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000067245492 571054077 /nfs/dbraw/zinc/05/40/77/571054077.db2.gz VFVNELFDVNEHMV-UHFFFAOYSA-N -1 0 400.460 3.170 50 0 HGAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)cc2o1 ZINC000040024731 571139984 /nfs/dbraw/zinc/13/99/84/571139984.db2.gz TYSLPXCXNSOXKH-UHFFFAOYSA-N -1 0 424.360 3.126 50 0 HGAARM Cc1ccc(-c2nc(CC(=O)Nc3cccc(Cn4[n-]c(=O)ccc4=O)c3)cs2)o1 ZINC000040152457 571200035 /nfs/dbraw/zinc/20/00/35/571200035.db2.gz RUOSGNLJIIYWDI-UHFFFAOYSA-N -1 0 422.466 3.203 50 0 HGAARM CCC(Nc1cc(OC)ccc1OC)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000009016121 571211337 /nfs/dbraw/zinc/21/13/37/571211337.db2.gz RHKJAQCBNZLOHK-OBGWFSINSA-N -1 0 401.463 3.191 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)cc1 ZINC000009685260 571279830 /nfs/dbraw/zinc/27/98/30/571279830.db2.gz PAQOVNVZSHPSLS-UHFFFAOYSA-N -1 0 419.547 3.468 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3cccs3)cs2)cc1 ZINC000009828574 571286877 /nfs/dbraw/zinc/28/68/77/571286877.db2.gz BICFLKQLVBLISP-UHFFFAOYSA-N -1 0 407.542 3.173 50 0 HGAARM CCC(Nc1cc(OC)ccc1OC)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000009111465 132335951 /nfs/dbraw/zinc/33/59/51/132335951.db2.gz CFLMJZXVTDGVKE-XDJHFCHBSA-N -1 0 409.442 3.371 50 0 HGAARM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000032081202 519038379 /nfs/dbraw/zinc/03/83/79/519038379.db2.gz WSBGHVJCVDZJLE-CQSZACIVSA-N -1 0 416.499 3.222 50 0 HGAARM CCc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(=O)[n-]2)cc1 ZINC000032836341 523975125 /nfs/dbraw/zinc/97/51/25/523975125.db2.gz JVRCHTIPAGRWPL-UHFFFAOYSA-N -1 0 424.482 3.309 50 0 HGAARM Cc1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)nn1-c1ccccc1 ZINC000225858919 524116427 /nfs/dbraw/zinc/11/64/27/524116427.db2.gz HZNUQGYZRZQKMR-UHFFFAOYSA-N -1 0 411.817 3.231 50 0 HGAARM COc1ccc(Cn2c(=O)cc3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2C)cc1 ZINC000030822905 524256079 /nfs/dbraw/zinc/25/60/79/524256079.db2.gz HLGMLVFWUUHBDV-UHFFFAOYSA-N -1 0 418.478 3.456 50 0 HGAARM O=C([O-])c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1 ZINC000000608204 557019153 /nfs/dbraw/zinc/01/91/53/557019153.db2.gz SPPTWHFVYKCNNK-FQEVSTJZSA-N -1 0 404.422 3.070 50 0 world HGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)c1C ZINC000000636841 557029790 /nfs/dbraw/zinc/02/97/90/557029790.db2.gz PEAJZESVUGNCIA-UHFFFAOYSA-N -1 0 415.471 3.418 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000000671470 557049391 /nfs/dbraw/zinc/04/93/91/557049391.db2.gz JYWNRLGPTNQBDO-UHFFFAOYSA-N -1 0 412.471 3.155 50 0 HGAARM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000000813919 557088768 /nfs/dbraw/zinc/08/87/68/557088768.db2.gz JYUZNXUFXMUSGD-UHFFFAOYSA-N -1 0 424.525 3.358 50 0 HGAARM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000858374 557103711 /nfs/dbraw/zinc/10/37/11/557103711.db2.gz GPDGDULBCLBRPM-UHFFFAOYSA-N -1 0 403.485 3.270 50 0 HGAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000001028304 557146067 /nfs/dbraw/zinc/14/60/67/557146067.db2.gz MDRLWEDYEOOZMR-UHFFFAOYSA-N -1 0 402.472 3.120 50 0 HGAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c1C ZINC000001110680 557183172 /nfs/dbraw/zinc/18/31/72/557183172.db2.gz RVXDCJLMUADAKM-UHFFFAOYSA-N -1 0 408.907 3.230 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000001111719 557184014 /nfs/dbraw/zinc/18/40/14/557184014.db2.gz RMHXTCHZTNNKGS-UHFFFAOYSA-N -1 0 410.495 3.469 50 0 HGAARM COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1Br ZINC000001160156 557217645 /nfs/dbraw/zinc/21/76/45/557217645.db2.gz IHBDJZFAVCVUPL-UHFFFAOYSA-N -1 0 409.261 3.283 50 0 HGAARM COc1cc(OCc2cccc(C(=O)[O-])c2)ccc1C=C1C(=O)NC(=S)NC1=O ZINC000001838720 557291469 /nfs/dbraw/zinc/29/14/69/557291469.db2.gz IWDPIANAZYUKMC-UHFFFAOYSA-N -1 0 412.423 3.138 50 0 HGAARM O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc4c(c2)OCO4)C3=O)cc1 ZINC000002826552 557397217 /nfs/dbraw/zinc/39/72/17/557397217.db2.gz DLYXDTALDNMUCC-UHFFFAOYSA-N -1 0 415.357 3.145 50 0 HGAARM O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000002874736 557416559 /nfs/dbraw/zinc/41/65/59/557416559.db2.gz ZMLVHJJULBQVOG-UHFFFAOYSA-N -1 0 414.417 3.362 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)nc(C)n1 ZINC000002902372 557424845 /nfs/dbraw/zinc/42/48/45/557424845.db2.gz SBIHBLDDYXEECP-UHFFFAOYSA-N -1 0 410.499 3.466 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2)cc1 ZINC000003641496 557495929 /nfs/dbraw/zinc/49/59/29/557495929.db2.gz KFFGDCFVDLPPRX-HXUWFJFHSA-N -1 0 409.467 3.161 50 0 HGAARM O=C([O-])CCn1c2ccccc2c2c1CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C2 ZINC000003798772 557498705 /nfs/dbraw/zinc/49/87/05/557498705.db2.gz LDXDSHIEDAPSSA-OAHLLOKOSA-N -1 0 416.474 3.091 50 0 investigational HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(N)ccc2OC)cc1Br ZINC000003885628 557502557 /nfs/dbraw/zinc/50/25/57/557502557.db2.gz YJQRIOMALFYHQI-UHFFFAOYSA-N -1 0 401.282 3.239 50 0 HGAARM CCOC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000004271905 557533955 /nfs/dbraw/zinc/53/39/55/557533955.db2.gz RGTMKFONKNOYBC-MRXNPFEDSA-N -1 0 414.439 3.195 50 0 HGAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)[C@@H](C(=O)[O-])C1 ZINC000004994036 557622507 /nfs/dbraw/zinc/62/25/07/557622507.db2.gz ILIGCSVGXRKHMZ-PMACEKPBSA-N -1 0 407.470 3.397 50 0 HGAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccc(OC)c(OC)c2)cc1 ZINC000002700586 557741103 /nfs/dbraw/zinc/74/11/03/557741103.db2.gz SWSOKSIKEZMXHU-UHFFFAOYSA-N -1 0 401.444 3.137 50 0 HGAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)cn1 ZINC000002804411 557763362 /nfs/dbraw/zinc/76/33/62/557763362.db2.gz QAYHUGAPVOCVMG-UHFFFAOYSA-N -1 0 400.291 3.255 50 0 HGAARM CC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022851823 557839500 /nfs/dbraw/zinc/83/95/00/557839500.db2.gz SFFIRQGHWOUINM-KRWDZBQOSA-N -1 0 423.498 3.010 50 0 HGAARM [O-]c1c([C@@H](c2ccccc2F)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022852133 557839751 /nfs/dbraw/zinc/83/97/51/557839751.db2.gz YBYGPASPHIUAMG-OAHLLOKOSA-N -1 0 400.435 3.317 50 0 HGAARM CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000020058639 558328907 /nfs/dbraw/zinc/32/89/07/558328907.db2.gz QSQKYVRMPROTOF-GZTJUZNOSA-N -1 0 410.426 3.275 50 0 HGAARM O=C1N[C@H](c2ccc3ncccc3c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000012524462 558424627 /nfs/dbraw/zinc/42/46/27/558424627.db2.gz HKFUBPZSIICYSI-IIDMSEBBSA-N -1 0 421.400 3.400 50 0 HGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000004345740 558427256 /nfs/dbraw/zinc/42/72/56/558427256.db2.gz IGHBGPBJQWASGP-ODLFYWEKSA-N -1 0 406.417 3.427 50 0 HGAARM CCCCNC(=O)CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000013111428 558515296 /nfs/dbraw/zinc/51/52/96/558515296.db2.gz DVWOKHMCWKXNDT-UHFFFAOYSA-N -1 0 401.319 3.483 50 0 HGAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H](C)O1 ZINC000023078221 558533501 /nfs/dbraw/zinc/53/35/01/558533501.db2.gz OPAGWOZMFNGUMQ-TXEJJXNPSA-N -1 0 414.936 3.452 50 0 HGAARM O=C([O-])[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 ZINC000013467056 558533525 /nfs/dbraw/zinc/53/35/25/558533525.db2.gz MDYSKOKEVHRAAM-AWEZNQCLSA-N -1 0 404.348 3.483 50 0 HGAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000004483866 558603067 /nfs/dbraw/zinc/60/30/67/558603067.db2.gz LMUKJIPTFKIWLY-UXHICEINSA-N -1 0 405.458 3.050 50 0 HGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1Cl ZINC000004484035 558603411 /nfs/dbraw/zinc/60/34/11/558603411.db2.gz GXJBAEVXEWZFHZ-JKSUJKDBSA-N -1 0 405.241 3.495 50 0 HGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)c(F)c2)C[C@H]1C(=O)[O-] ZINC000014632537 558662451 /nfs/dbraw/zinc/66/24/51/558662451.db2.gz VNKPQJNCRQHDIB-GWCFXTLKSA-N -1 0 404.232 3.430 50 0 HGAARM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000028250422 558693701 /nfs/dbraw/zinc/69/37/01/558693701.db2.gz WMSZANDRBKORDA-UHFFFAOYSA-N -1 0 401.318 3.227 50 0 HGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000028813167 558705040 /nfs/dbraw/zinc/70/50/40/558705040.db2.gz OCCUIEYBISRFNJ-UHFFFAOYSA-N -1 0 402.497 3.491 50 0 HGAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)C1=O ZINC000030036099 558726737 /nfs/dbraw/zinc/72/67/37/558726737.db2.gz SRQJDWSBDBCRCA-FQEVSTJZSA-N -1 0 410.817 3.107 50 0 HGAARM COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCc1ccccc1 ZINC000015767798 558752053 /nfs/dbraw/zinc/75/20/53/558752053.db2.gz SFPHIXORCJLMFT-ZSOIEALJSA-N -1 0 403.232 3.217 50 0 HGAARM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1 ZINC000001196352 558776040 /nfs/dbraw/zinc/77/60/40/558776040.db2.gz NFQXIUJHORYDOH-UHFFFAOYSA-N -1 0 402.472 3.248 50 0 HGAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2 ZINC000017082216 558814186 /nfs/dbraw/zinc/81/41/86/558814186.db2.gz TUPINCNZPNCASG-UHFFFAOYSA-N -1 0 401.488 3.145 50 0 HGAARM C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017082394 558814425 /nfs/dbraw/zinc/81/44/25/558814425.db2.gz KJKCWZUGSMBOQQ-GFCCVEGCSA-N -1 0 402.472 3.165 50 0 HGAARM COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000017082363 558814453 /nfs/dbraw/zinc/81/44/53/558814453.db2.gz HMHUWXVDCAKWEQ-UHFFFAOYSA-N -1 0 402.432 3.436 50 0 HGAARM CCOC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325638 558862439 /nfs/dbraw/zinc/86/24/39/558862439.db2.gz UTMJXENGXIPGAN-CQSZACIVSA-N -1 0 413.426 3.042 50 0 biogenic HGAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCSCC1 ZINC000058366100 558922117 /nfs/dbraw/zinc/92/21/17/558922117.db2.gz SWRYSZHWQKEPFW-UHFFFAOYSA-N -1 0 414.455 3.017 50 0 HGAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000097940943 558945889 /nfs/dbraw/zinc/94/58/89/558945889.db2.gz WWTSXKSEEBMADN-UHFFFAOYSA-N -1 0 422.894 3.443 50 0 HGAARM O=C(NCc1ccco1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097096219 558992028 /nfs/dbraw/zinc/99/20/28/558992028.db2.gz OOAIPVIDMGLFAQ-UHFFFAOYSA-N -1 0 423.860 3.204 50 0 HGAARM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2s1 ZINC000033298974 559048278 /nfs/dbraw/zinc/04/82/78/559048278.db2.gz HZQRGFRTMMHJJC-UHFFFAOYSA-N -1 0 408.935 3.216 50 0 HGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cnn(CC)c2C)sc2c1CC[C@@H](C)C2 ZINC000006229060 559089440 /nfs/dbraw/zinc/08/94/40/559089440.db2.gz GJEZSEAQDARFGE-LLVKDONJSA-N -1 0 411.549 3.375 50 0 HGAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nccc(C)n2)cc3=O)cc1OC ZINC000101177042 559143905 /nfs/dbraw/zinc/14/39/05/559143905.db2.gz SOWNEXWXHPMRIA-UHFFFAOYSA-N -1 0 423.498 3.406 50 0 HGAARM CC(C)COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCC(=O)[O-])cc1 ZINC000005230672 560547797 /nfs/dbraw/zinc/54/77/97/560547797.db2.gz SWWAGURWRVZPNE-ZHZULCJRSA-N -1 0 410.470 3.083 50 0 biogenic HGAARM CCOC(=O)[C@]([N-]c1ccc(F)c(F)c1F)(NC(=O)CC(C)C)C(F)(F)F ZINC000005332950 560566718 /nfs/dbraw/zinc/56/67/18/560566718.db2.gz FOSFZRGIXWWKSH-HNNXBMFYSA-N -1 0 400.319 3.500 50 0 HGAARM Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000005574714 560623426 /nfs/dbraw/zinc/62/34/26/560623426.db2.gz NAOVLHJKEQBILW-CYBMUJFWSA-N -1 0 400.456 3.276 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000003135842 560637259 /nfs/dbraw/zinc/63/72/59/560637259.db2.gz OBRRFIAOYWXTNI-UHFFFAOYSA-N -1 0 400.435 3.286 50 0 HGAARM O=C(Cc1ccccc1)NCCCCCCNC(=O)c1c(=O)oc2ccccc2c1[O-] ZINC000003154768 560750036 /nfs/dbraw/zinc/75/00/36/560750036.db2.gz AHWWXEZPGJKCMA-UHFFFAOYSA-N -1 0 422.481 3.148 50 0 HGAARM CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)cc1 ZINC000101168475 560787558 /nfs/dbraw/zinc/78/75/58/560787558.db2.gz SPUZIUGGDXHMRU-SFTDATJTSA-N -1 0 419.485 3.304 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1 ZINC000101260842 560789947 /nfs/dbraw/zinc/78/99/47/560789947.db2.gz SQHSTPRZBMRPDB-DLBZAZTESA-N -1 0 400.822 3.163 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1 ZINC000101271692 560790951 /nfs/dbraw/zinc/79/09/51/560790951.db2.gz GNRGZWFXBXOTDN-SJORKVTESA-N -1 0 422.832 3.192 50 0 HGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000101270437 560790967 /nfs/dbraw/zinc/79/09/67/560790967.db2.gz RKHXTOIPRPEOCH-RTWAWAEBSA-N -1 0 419.485 3.106 50 0 HGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 ZINC000101298323 560791007 /nfs/dbraw/zinc/79/10/07/560791007.db2.gz BMXBYWNJLCGUOR-LJQANCHMSA-N -1 0 404.426 3.436 50 0 HGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 ZINC000101298329 560791078 /nfs/dbraw/zinc/79/10/78/560791078.db2.gz BMXBYWNJLCGUOR-IBGZPJMESA-N -1 0 404.426 3.436 50 0 HGAARM Cc1ccc(NC(=O)c2nnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000101353384 560792138 /nfs/dbraw/zinc/79/21/38/560792138.db2.gz MEEJLTUHELLUDW-INIZCTEOSA-N -1 0 409.833 3.476 50 0 HGAARM O=C(Nc1ccc2c(c1)OCO2)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722855 560799004 /nfs/dbraw/zinc/79/90/04/560799004.db2.gz QTBVJBJABLXTJF-UHFFFAOYSA-N -1 0 415.405 3.131 50 0 HGAARM COc1ccc(-n2c(=O)c(C(=O)NCc3ccccc3F)c([O-])c3cccnc32)cc1 ZINC000101723300 560799204 /nfs/dbraw/zinc/79/92/04/560799204.db2.gz BPJLLPWKBRTBQN-UHFFFAOYSA-N -1 0 419.412 3.169 50 0 HGAARM COc1ccc(-n2c(=O)c(C(=O)Nc3cccc(F)c3)c([O-])c3cccnc32)cc1 ZINC000101723416 560799245 /nfs/dbraw/zinc/79/92/45/560799245.db2.gz JCGUGCSFFMHYDG-UHFFFAOYSA-N -1 0 405.385 3.491 50 0 HGAARM O=C(Nc1ccc2c(c1)OCO2)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723519 560799370 /nfs/dbraw/zinc/79/93/70/560799370.db2.gz VFQBRLJNZQDKFA-UHFFFAOYSA-N -1 0 401.378 3.072 50 0 HGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(OC)c4)cnn32)cc1 ZINC000102810663 560829331 /nfs/dbraw/zinc/82/93/31/560829331.db2.gz SUHBFUFYVFYRQI-IBGZPJMESA-N -1 0 420.425 3.136 50 0 HGAARM COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)c1 ZINC000102810684 560829334 /nfs/dbraw/zinc/82/93/34/560829334.db2.gz DGNMHMARYIYICT-GOSISDBHSA-N -1 0 408.389 3.267 50 0 HGAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000102819495 560829520 /nfs/dbraw/zinc/82/95/20/560829520.db2.gz OTSFNRCOYSYLBI-HOTGVXAUSA-N -1 0 420.347 3.220 50 0 HGAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3C)cnn21 ZINC000102820864 560829583 /nfs/dbraw/zinc/82/95/83/560829583.db2.gz IQRPARCHXUJWPS-SFHVURJKSA-N -1 0 404.426 3.436 50 0 HGAARM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102990184 560836058 /nfs/dbraw/zinc/83/60/58/560836058.db2.gz ZKVZLXRXPNROHT-UHFFFAOYSA-N -1 0 411.771 3.285 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Cl)no4)c=3c2=O)cc1 ZINC000101271689 560851462 /nfs/dbraw/zinc/85/14/62/560851462.db2.gz GNRGZWFXBXOTDN-IRXDYDNUSA-N -1 0 422.832 3.192 50 0 HGAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000101260714 560851469 /nfs/dbraw/zinc/85/14/69/560851469.db2.gz QIUYJCCOYOOSHH-HZPDHXFCSA-N -1 0 415.247 3.264 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)cc1 ZINC000101272256 560851505 /nfs/dbraw/zinc/85/15/05/560851505.db2.gz VZACLBIXFOITGF-DLBZAZTESA-N -1 0 422.832 3.192 50 0 HGAARM O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000051316703 560856577 /nfs/dbraw/zinc/85/65/77/560856577.db2.gz LGDKJZNKBVFQOG-UHFFFAOYSA-N -1 0 413.409 3.118 50 0 HGAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)OC(C)C ZINC000014852284 560871297 /nfs/dbraw/zinc/87/12/97/560871297.db2.gz BCOLKFGDTAGFSN-UHFFFAOYSA-N -1 0 409.435 3.043 50 0 HGAARM O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1ccncc1 ZINC000195406921 560884244 /nfs/dbraw/zinc/88/42/44/560884244.db2.gz VGQINDZVVIKUPU-CWBXHPNXSA-N -1 0 423.472 3.465 50 0 HGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)c(F)c1 ZINC000020215646 568594614 /nfs/dbraw/zinc/59/46/14/568594614.db2.gz NHGMIWKDEYYEEG-CABCVRRESA-N -1 0 410.302 3.477 50 0 HGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)C1(c2ccc(F)cc2)CC1 ZINC000095451161 568614542 /nfs/dbraw/zinc/61/45/42/568614542.db2.gz SEMWMTYMCHKWEG-UHFFFAOYSA-N -1 0 418.475 3.148 50 0 HGAARM COc1ccccc1C[C@@H](CNC(=O)c1cnn(C(C)C)c1C(F)(F)F)C(=O)[O-] ZINC000095464096 568622369 /nfs/dbraw/zinc/62/23/69/568622369.db2.gz CESBAQCIMRXWFX-ZDUSSCGKSA-N -1 0 413.396 3.165 50 0 HGAARM CSc1nc2n(n1)[C@](O)(C(=O)[O-])[C@H](c1ccccc1)[C@@H](c1ccc(Cl)cc1)N2 ZINC000226979215 568698793 /nfs/dbraw/zinc/69/87/93/568698793.db2.gz YHORAYAHSPBGBY-SPYBWZPUSA-N -1 0 416.890 3.334 50 0 HGAARM CCOC(=O)c1c(C)n(C)c2ccc([O-])c(S(=O)(=O)c3ccc(OC)cc3)c21 ZINC000000862725 568718640 /nfs/dbraw/zinc/71/86/40/568718640.db2.gz DIJHCWSRUVWRJQ-UHFFFAOYSA-N -1 0 403.456 3.210 50 0 HGAARM Cc1cc(C)cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C(C)C)cc4)c(=O)c2=3)c1 ZINC000096286234 568719300 /nfs/dbraw/zinc/71/93/00/568719300.db2.gz NPFMXYGODPVCEH-NHCUHLMSSA-N -1 0 419.485 3.359 50 0 HGAARM Cc1cc(=O)n2nc(CN(C(=O)CCc3ccccc3)c3ccc(F)cc3)[n-]c2n1 ZINC000096319227 568727502 /nfs/dbraw/zinc/72/75/02/568727502.db2.gz HRPGAAQWCXLDHQ-UHFFFAOYSA-N -1 0 405.433 3.031 50 0 HGAARM Cc1cc(C)c(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c(C)c1 ZINC000096319790 568728360 /nfs/dbraw/zinc/72/83/60/568728360.db2.gz RSCSQECSIOPVKF-RTWAWAEBSA-N -1 0 419.485 3.161 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000096361139 568739048 /nfs/dbraw/zinc/73/90/48/568739048.db2.gz JNJOWHWATFJXLO-UHFFFAOYSA-N -1 0 400.460 3.088 50 0 HGAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)n1 ZINC000096379806 568741693 /nfs/dbraw/zinc/74/16/93/568741693.db2.gz LTTYGJFQUJGJIX-UHFFFAOYSA-N -1 0 403.464 3.003 50 0 HGAARM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1O ZINC000086056952 568753747 /nfs/dbraw/zinc/75/37/47/568753747.db2.gz FIBITIDXEWAWKD-CQSZACIVSA-N -1 0 409.467 3.251 50 0 HGAARM CCOC(=O)[C@@H](C)Nc1cc(OC)c(C([O-])(C(F)(F)F)C(F)(F)F)cc1OC ZINC000096564385 568760766 /nfs/dbraw/zinc/76/07/66/568760766.db2.gz AXYNIRLDSIPCBM-MRVPVSSYSA-N -1 0 419.318 3.380 50 0 HGAARM CN1C(=O)N[C@H](c2cccc(F)c2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000002502277 568777352 /nfs/dbraw/zinc/77/73/52/568777352.db2.gz RKDPVVPQUMMOQU-ZENOOKHLSA-N -1 0 402.369 3.333 50 0 HGAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(c2ccccc2)CC1 ZINC000002971408 568831895 /nfs/dbraw/zinc/83/18/95/568831895.db2.gz DBIKEVNWUWCEBJ-UHFFFAOYSA-N -1 0 408.527 3.188 50 0 HGAARM CCOCCCn1c(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2[n-]c1=S ZINC000002972217 568832117 /nfs/dbraw/zinc/83/21/17/568832117.db2.gz GJMVZKIDUUJLAO-UHFFFAOYSA-N -1 0 415.490 3.181 50 0 HGAARM Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)c(C)c1C ZINC000012556992 568856049 /nfs/dbraw/zinc/85/60/49/568856049.db2.gz QISNSOUAFPBAQT-UHFFFAOYSA-N -1 0 418.515 3.234 50 0 HGAARM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000012557203 568856174 /nfs/dbraw/zinc/85/61/74/568856174.db2.gz FKLBPTLSNSHJSA-UHFFFAOYSA-N -1 0 422.450 3.065 50 0 HGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000003623666 568864542 /nfs/dbraw/zinc/86/45/42/568864542.db2.gz VFRGTJPOWOULNN-KRWDZBQOSA-N -1 0 417.458 3.447 50 0 HGAARM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1Cl ZINC000012585465 568866274 /nfs/dbraw/zinc/86/62/74/568866274.db2.gz LSVFLZZZQVHXGJ-UHFFFAOYSA-N -1 0 421.327 3.334 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C ZINC000003515893 568911597 /nfs/dbraw/zinc/91/15/97/568911597.db2.gz QBXFDEGWOVDLFY-UHFFFAOYSA-N -1 0 400.456 3.327 50 0 HGAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000001322304 568914673 /nfs/dbraw/zinc/91/46/73/568914673.db2.gz XGZCRJKXOPENTC-OAQYLSRUSA-N -1 0 418.449 3.379 50 0 biogenic HGAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ncccc2O[C@H](C)c2ccccc2)c1C ZINC000083836744 568917962 /nfs/dbraw/zinc/91/79/62/568917962.db2.gz MSVNMDZNOSAWSI-MRXNPFEDSA-N -1 0 400.504 3.278 50 0 HGAARM CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000060027503 568929147 /nfs/dbraw/zinc/92/91/47/568929147.db2.gz LFHIOOBWQJBUPB-FFZOFVMBSA-N -1 0 412.486 3.140 50 0 HGAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)C1 ZINC000031818454 568932594 /nfs/dbraw/zinc/93/25/94/568932594.db2.gz JTIIMYXIPJVYIM-MTJIALIYSA-N -1 0 401.463 3.075 50 0 HGAARM CCCNC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000012749603 568937526 /nfs/dbraw/zinc/93/75/26/568937526.db2.gz CPCGGUKQXJIHOI-UHFFFAOYSA-N -1 0 422.503 3.043 50 0 HGAARM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000012770526 568951701 /nfs/dbraw/zinc/95/17/01/568951701.db2.gz NHGWQUAPSIAXRR-UHFFFAOYSA-N -1 0 422.547 3.157 50 0 HGAARM O=C1COc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)c(Cl)cc2N1 ZINC000015822186 569010743 /nfs/dbraw/zinc/01/07/43/569010743.db2.gz WRSQYVXTGMWAHZ-UHFFFAOYSA-N -1 0 417.668 3.234 50 0 HGAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000035397439 569034884 /nfs/dbraw/zinc/03/48/84/569034884.db2.gz BSZQQTMRSTWQOK-UHFFFAOYSA-N -1 0 407.467 3.409 50 0 HGAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)c(C)s2)no1 ZINC000035539292 569043707 /nfs/dbraw/zinc/04/37/07/569043707.db2.gz JTRBYKMAVRCUDO-UHFFFAOYSA-N -1 0 409.489 3.487 50 0 HGAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001794350 569053251 /nfs/dbraw/zinc/05/32/51/569053251.db2.gz ANFIEIHPBLVFFF-UHFFFAOYSA-N -1 0 409.895 3.380 50 0 HGAARM CSC[C@@](C)(O)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000242100117 569054971 /nfs/dbraw/zinc/05/49/71/569054971.db2.gz WELGKKKNNIEJAS-HNNXBMFYSA-N -1 0 419.728 3.200 50 0 HGAARM CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000001926404 569059669 /nfs/dbraw/zinc/05/96/69/569059669.db2.gz SPLJRXWDYFIMNP-UHFFFAOYSA-N -1 0 421.452 3.075 50 0 HGAARM CCn1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000006490174 569059700 /nfs/dbraw/zinc/05/97/00/569059700.db2.gz WWVJEBKTKXRNGN-VKYMVXLJSA-N -1 0 416.522 3.041 50 0 HGAARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000036023040 569077415 /nfs/dbraw/zinc/07/74/15/569077415.db2.gz YVIMYHFZDADHDL-ZSFFSCSXSA-N -1 0 405.458 3.116 50 0 biogenic HGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N[C@@H]3OC(=O)c4ccccc43)cc2)n1 ZINC000006740426 569106519 /nfs/dbraw/zinc/10/65/19/569106519.db2.gz CCPOZYQUVMQFMJ-GOSISDBHSA-N -1 0 410.455 3.175 50 0 HGAARM CC(=O)c1ccc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000064843265 569107053 /nfs/dbraw/zinc/10/70/53/569107053.db2.gz YZJLBWCGEKLMMU-UHFFFAOYSA-N -1 0 417.487 3.020 50 0 HGAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064843259 569107107 /nfs/dbraw/zinc/10/71/07/569107107.db2.gz HCQLYWIQKBGFQW-UHFFFAOYSA-N -1 0 403.504 3.434 50 0 HGAARM Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c3)o2)cc1 ZINC000064987968 569145560 /nfs/dbraw/zinc/14/55/60/569145560.db2.gz JKXHIRQHCRSFLP-QGZVFWFLSA-N -1 0 415.471 3.100 50 0 HGAARM Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)c(C)c1 ZINC000036359068 569150415 /nfs/dbraw/zinc/15/04/15/569150415.db2.gz QSEZSMOSDHMCON-QHCPKHFHSA-N -1 0 421.497 3.291 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2 ZINC000065196294 569194522 /nfs/dbraw/zinc/19/45/22/569194522.db2.gz HANZCEJTAGDODU-UHFFFAOYSA-N -1 0 406.529 3.242 50 0 HGAARM O=C(NCc1cn2ccccc2n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000007027442 569201703 /nfs/dbraw/zinc/20/17/03/569201703.db2.gz NANSLPPATVVKHY-UHFFFAOYSA-N -1 0 412.496 3.127 50 0 HGAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1F ZINC000065250066 569206009 /nfs/dbraw/zinc/20/60/09/569206009.db2.gz LRBWUEJJGYVBMR-UHFFFAOYSA-N -1 0 408.389 3.128 50 0 HGAARM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000007054511 569214346 /nfs/dbraw/zinc/21/43/46/569214346.db2.gz NQFYQNNGIHHERL-UHFFFAOYSA-N -1 0 400.497 3.047 50 0 HGAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000007428364 569238420 /nfs/dbraw/zinc/23/84/20/569238420.db2.gz XYDUJBUIBDTYMB-UHFFFAOYSA-N -1 0 404.469 3.447 50 0 HGAARM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000170592118 569240986 /nfs/dbraw/zinc/24/09/86/569240986.db2.gz OIUZQONJCQCSFJ-ROUUACIJSA-N -1 0 420.868 3.046 50 0 HGAARM O=C([C@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696674 569257145 /nfs/dbraw/zinc/25/71/45/569257145.db2.gz IAIGRTVLIOOGAY-QGZVFWFLSA-N -1 0 406.891 3.209 50 0 HGAARM O=C(NCc1ccccn1)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000001129798 569277334 /nfs/dbraw/zinc/27/73/34/569277334.db2.gz VPQHYWCXPVTNCD-UHFFFAOYSA-N -1 0 402.479 3.059 50 0 HGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Br)s2)CC1 ZINC000025758262 569283786 /nfs/dbraw/zinc/28/37/86/569283786.db2.gz BBLGSHWBWMCIJL-LBPRGKRZSA-N -1 0 405.314 3.189 50 0 HGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002115423 569284639 /nfs/dbraw/zinc/28/46/39/569284639.db2.gz WABXCPBYQFBXNG-IBGZPJMESA-N -1 0 415.829 3.335 50 0 biogenic HGAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002131394 569287255 /nfs/dbraw/zinc/28/72/55/569287255.db2.gz XEVACRKDGPGANH-HNNXBMFYSA-N -1 0 403.456 3.021 50 0 biogenic HGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000003629980 569321339 /nfs/dbraw/zinc/32/13/39/569321339.db2.gz QIIWBMUFGBHSRC-UHFFFAOYSA-N -1 0 405.273 3.283 50 0 HGAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1cccc(Cl)c1 ZINC000002257581 569324831 /nfs/dbraw/zinc/32/48/31/569324831.db2.gz MGXWFGNNQYOTOU-UHFFFAOYSA-N -1 0 403.829 3.326 50 0 HGAARM COC(=O)[C@@](NNc1ccccc1)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000002270435 569326525 /nfs/dbraw/zinc/32/65/25/569326525.db2.gz MDZJHQJVHAAVDT-IBGZPJMESA-N -1 0 420.391 3.021 50 0 HGAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000253425455 569368155 /nfs/dbraw/zinc/36/81/55/569368155.db2.gz UCYWJNNRMCIMIK-NXEZZACHSA-N -1 0 407.225 3.275 50 0 HGAARM COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NCCCC(=O)[O-])cc1 ZINC000013124094 569409657 /nfs/dbraw/zinc/40/96/57/569409657.db2.gz VHJBVNRHFYVQDD-QGOAFFKASA-N -1 0 416.861 3.101 50 0 HGAARM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000078752443 569420290 /nfs/dbraw/zinc/42/02/90/569420290.db2.gz NRJVPHZUCUAIMZ-UHFFFAOYSA-N -1 0 400.841 3.333 50 0 HGAARM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(O)nc([O-])n(Cc2ccccc2)c1=O ZINC000008995941 571208900 /nfs/dbraw/zinc/20/89/00/571208900.db2.gz ZKBNDKNQZXPRLV-NRFANRHFSA-N -1 0 416.481 3.152 50 0 biogenic HGAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(O)nc([O-])n(-c2ccc(F)cc2)c1=O ZINC000009013453 571211011 /nfs/dbraw/zinc/21/10/11/571211011.db2.gz RBUQPRQQJVEJKH-HXUWFJFHSA-N -1 0 420.444 3.232 50 0 biogenic HGAARM CCCCOc1ccc2nc([N-][C@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009087587 571220069 /nfs/dbraw/zinc/22/00/69/571220069.db2.gz KEQIANABCXTKQE-MRXNPFEDSA-N -1 0 419.425 3.455 50 0 HGAARM NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3Cl)cc2C(=O)[O-])cc1 ZINC000009283005 571244833 /nfs/dbraw/zinc/24/48/33/571244833.db2.gz QPISWNVSSNQEQN-UHFFFAOYSA-N -1 0 412.254 3.192 50 0 HGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000009421804 571257177 /nfs/dbraw/zinc/25/71/77/571257177.db2.gz VDKCBFDPTLZCPJ-UHFFFAOYSA-N -1 0 412.500 3.082 50 0 HGAARM Cc1cc(C)n(CCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)n1 ZINC000009467935 571261314 /nfs/dbraw/zinc/26/13/14/571261314.db2.gz OQSLLYWTYUJEHA-UHFFFAOYSA-N -1 0 418.544 3.182 50 0 HGAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc(C)nc2sc(C)c(C)c21 ZINC000009635032 571275098 /nfs/dbraw/zinc/27/50/98/571275098.db2.gz SKSIDVMSOVSCPM-UHFFFAOYSA-N -1 0 420.516 3.384 50 0 HGAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1Cl ZINC000009684255 571279360 /nfs/dbraw/zinc/27/93/60/571279360.db2.gz KQENXJKEENYCMS-UHFFFAOYSA-N -1 0 411.911 3.330 50 0 HGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000010265807 571298722 /nfs/dbraw/zinc/29/87/22/571298722.db2.gz GVYYNHLCUXRIHU-UHFFFAOYSA-N -1 0 417.270 3.160 50 0 HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)c1 ZINC000009406962 132339289 /nfs/dbraw/zinc/33/92/89/132339289.db2.gz DGRKZOJOQXZDBH-LBPRGKRZSA-N -1 0 422.528 3.352 50 0 HGAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000012180496 132355773 /nfs/dbraw/zinc/35/57/73/132355773.db2.gz NHZXGGXUPBPPSG-UHFFFAOYSA-N -1 0 420.965 3.305 50 0 HGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017088455 132465189 /nfs/dbraw/zinc/46/51/89/132465189.db2.gz REZKBKSKZSIOGA-JOCCRWCTSA-N -1 0 410.436 3.491 50 0 HGAARM CC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4cccs4)CC3)c2c1 ZINC000032095141 519734348 /nfs/dbraw/zinc/73/43/48/519734348.db2.gz LGSZVSYYZGKEPP-HXUWFJFHSA-N -1 0 412.515 3.131 50 0 HGAARM CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)CC1 ZINC000032946575 520961418 /nfs/dbraw/zinc/96/14/18/520961418.db2.gz NYJIHHSEZZDQCI-UHFFFAOYSA-N -1 0 411.458 3.224 50 0 HGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000020574836 521384774 /nfs/dbraw/zinc/38/47/74/521384774.db2.gz GKHQVQWNPDWSSV-UHFFFAOYSA-N -1 0 416.883 3.280 50 0 HGAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(OC)cc2)c1 ZINC000032915851 522251045 /nfs/dbraw/zinc/25/10/45/522251045.db2.gz NKGDYADGFKQFKH-UHFFFAOYSA-N -1 0 414.439 3.470 50 0 HGAARM CN1c2ccsc2C([O-])=C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000100326347 524036507 /nfs/dbraw/zinc/03/65/07/524036507.db2.gz RVBLCBILDONHIO-UHFFFAOYSA-N -1 0 404.391 3.412 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cccnc2OC)c1 ZINC000032755200 524648109 /nfs/dbraw/zinc/64/81/09/524648109.db2.gz ZJSJNPOOEWLXCD-UHFFFAOYSA-N -1 0 413.455 3.152 50 0 HGAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 ZINC000040312435 526396882 /nfs/dbraw/zinc/39/68/82/526396882.db2.gz TYZDGXBLKTYUEW-LJQANCHMSA-N -1 0 406.398 3.016 50 0 biogenic HGAARM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1OCC(=O)[O-] ZINC000000785238 557080087 /nfs/dbraw/zinc/08/00/87/557080087.db2.gz IUPYNJXRLXGGTB-SNVBAGLBSA-N -1 0 400.456 3.248 50 0 HGAARM CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000947476 557123077 /nfs/dbraw/zinc/12/30/77/557123077.db2.gz LPKBLDYQTBUMDL-AWNIVKPZSA-N -1 0 424.482 3.328 50 0 HGAARM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000001139039 557202599 /nfs/dbraw/zinc/20/25/99/557202599.db2.gz AIWYXYKHYTXODO-LFYBBSHMSA-N -1 0 424.482 3.246 50 0 HGAARM O=C([O-])COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 ZINC000001148206 557209459 /nfs/dbraw/zinc/20/94/59/557209459.db2.gz UFXASIFTEGUOLQ-UHFFFAOYSA-N -1 0 422.437 3.331 50 0 HGAARM O=C1O[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)c2ccccc21 ZINC000001408075 557259015 /nfs/dbraw/zinc/25/90/15/557259015.db2.gz KJRYWXJYNHHNBT-KRWDZBQOSA-N -1 0 416.846 3.212 50 0 HGAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000034705595 557388592 /nfs/dbraw/zinc/38/85/92/557388592.db2.gz HPWZRYPYZLSORA-PSTGCABASA-N -1 0 418.519 3.021 50 0 HGAARM CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000002988432 557437289 /nfs/dbraw/zinc/43/72/89/557437289.db2.gz USWCXXKKOXBKFK-UHFFFAOYSA-N -1 0 417.468 3.122 50 0 HGAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1 ZINC000034763669 557461095 /nfs/dbraw/zinc/46/10/95/557461095.db2.gz PPKGIAALQLTGFC-OAHLLOKOSA-N -1 0 407.474 3.066 50 0 HGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)no1 ZINC000004411691 557552748 /nfs/dbraw/zinc/55/27/48/557552748.db2.gz GLLILZZCQHFKGN-HNNXBMFYSA-N -1 0 415.471 3.498 50 0 HGAARM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004535737 557564491 /nfs/dbraw/zinc/56/44/91/557564491.db2.gz ARWIWKBRNYMFJM-VDGAXYAQSA-N -1 0 412.486 3.140 50 0 HGAARM Cc1c(C(=O)N(C)C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002760202 557758429 /nfs/dbraw/zinc/75/84/29/557758429.db2.gz GZICANRPHQGORW-STQMWFEESA-N -1 0 424.519 3.153 50 0 HGAARM CCc1sc(C(=O)[N-]n2c(=O)c3ccccc3[nH]c2=S)cc1Br ZINC000002789963 557759822 /nfs/dbraw/zinc/75/98/22/557759822.db2.gz UVSOXWODNGZXTA-UHFFFAOYSA-N -1 0 410.318 3.456 50 0 HGAARM CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854200 557839230 /nfs/dbraw/zinc/83/92/30/557839230.db2.gz OTHGIBDVLZJTLS-AWEZNQCLSA-N -1 0 423.336 3.243 50 0 HGAARM COc1ccc2c(ccn2CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000020763677 558411514 /nfs/dbraw/zinc/41/15/14/558411514.db2.gz OXCSPHWGLNUPJC-FQEVSTJZSA-N -1 0 405.454 3.333 50 0 biogenic HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(-c2ccccc2)on1 ZINC000013236995 558527627 /nfs/dbraw/zinc/52/76/27/558527627.db2.gz MWFYZXDQGIRVPC-IBGZPJMESA-N -1 0 404.426 3.318 50 0 HGAARM CC(C)Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cccnc1 ZINC000072191565 558562993 /nfs/dbraw/zinc/56/29/93/558562993.db2.gz BVDSUQYSAJUBPH-UHFFFAOYSA-N -1 0 411.487 3.425 50 0 HGAARM CN1c2ccccc2C(=C(Sc2nnc3c(n2)[nH]c2ccccc23)C(=O)[O-])C1=O ZINC000013750503 558589653 /nfs/dbraw/zinc/58/96/53/558589653.db2.gz BPCINOYEAXFALS-PEZBUJJGSA-N -1 0 403.423 3.071 50 0 HGAARM O=C(CSC1=NC(=O)C(Cc2cccc3ccccc32)C([O-])=N1)N1CCCCC1 ZINC000013957216 558607888 /nfs/dbraw/zinc/60/78/88/558607888.db2.gz IFAQXKRPXNSGCD-UHFFFAOYSA-N -1 0 409.511 3.324 50 0 HGAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3OCC(F)(F)F)ccc2N1 ZINC000014205767 558637602 /nfs/dbraw/zinc/63/76/02/558637602.db2.gz RZBPDMSPRSKAEG-UHFFFAOYSA-N -1 0 400.378 3.313 50 0 HGAARM CC(=O)N1CCN(Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)CC1 ZINC000025573175 558644267 /nfs/dbraw/zinc/64/42/67/558644267.db2.gz JHSCNEZGUWZUKZ-UHFFFAOYSA-N -1 0 402.907 3.381 50 0 HGAARM COc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)[O-])cc1OC(F)F ZINC000060060002 558674594 /nfs/dbraw/zinc/67/45/94/558674594.db2.gz OOOOBXZLJZHJLE-UHFFFAOYSA-N -1 0 413.398 3.284 50 0 HGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1ccc(OC(F)F)cc1)N(C)C2=O ZINC000004563683 558733204 /nfs/dbraw/zinc/73/32/04/558733204.db2.gz GJDUIJFVQKHSFC-IRXDYDNUSA-N -1 0 407.369 3.300 50 0 HGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(CC)c3)[nH]n2)cc1 ZINC000032984967 558805401 /nfs/dbraw/zinc/80/54/01/558805401.db2.gz WMGMQAPKPIJJKT-UHFFFAOYSA-N -1 0 414.487 3.424 50 0 HGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)NCc1ccco1 ZINC000017082410 558814538 /nfs/dbraw/zinc/81/45/38/558814538.db2.gz AHWMFRQBBAOHRQ-UQZDFYISSA-N -1 0 402.472 3.347 50 0 HGAARM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000017083246 558815760 /nfs/dbraw/zinc/81/57/60/558815760.db2.gz BVPYLFVLTHYVQT-CZUORRHYSA-N -1 0 405.549 3.143 50 0 HGAARM O=C([N-]n1c(=O)c2c3c(sc2[nH]c1=S)CCC3)c1ccc(Br)o1 ZINC000017089092 558817737 /nfs/dbraw/zinc/81/77/37/558817737.db2.gz JGJUDKIQTJHOGB-UHFFFAOYSA-N -1 0 412.290 3.349 50 0 HGAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000017090100 558818705 /nfs/dbraw/zinc/81/87/05/558818705.db2.gz DHCAANZPRVPCHA-ZIAGYGMSSA-N -1 0 414.574 3.216 50 0 HGAARM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[n-]1 ZINC000072312530 558837732 /nfs/dbraw/zinc/83/77/32/558837732.db2.gz GPAJIFLDZGKZDF-TZMCWYRMSA-N -1 0 410.474 3.268 50 0 HGAARM CCOC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325232 558862086 /nfs/dbraw/zinc/86/20/86/558862086.db2.gz XFRIUQMLILGCBB-MRXNPFEDSA-N -1 0 418.449 3.171 50 0 biogenic HGAARM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c(Br)c1 ZINC000058377315 558922658 /nfs/dbraw/zinc/92/26/58/558922658.db2.gz YJNMGMHGVZASMW-UHFFFAOYSA-N -1 0 414.277 3.330 50 0 HGAARM CCc1ccc(S(=O)(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)cc(C(F)(F)F)c2)cc1 ZINC000058392636 558923445 /nfs/dbraw/zinc/92/34/45/558923445.db2.gz UKAQAQXDRRMFHE-UHFFFAOYSA-N -1 0 412.393 3.147 50 0 HGAARM O=C(c1c[nH]nc1-c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)o1)N1CCCCC1 ZINC000097940824 558946639 /nfs/dbraw/zinc/94/66/39/558946639.db2.gz KFKOCRMZKCPEQE-UHFFFAOYSA-N -1 0 418.450 3.236 50 0 HGAARM CCc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccc(C)cc2)cc1 ZINC000067244902 558985951 /nfs/dbraw/zinc/98/59/51/558985951.db2.gz RYPQGGOVAFDTNV-UHFFFAOYSA-N -1 0 412.515 3.320 50 0 HGAARM O=S(=O)([N-]c1nnc(-c2ccccc2)o1)c1cc(Br)cc2c1OCC2 ZINC000097143762 558996995 /nfs/dbraw/zinc/99/69/95/558996995.db2.gz YUFWEHKGKIEEGX-UHFFFAOYSA-N -1 0 422.260 3.235 50 0 HGAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157009 559022047 /nfs/dbraw/zinc/02/20/47/559022047.db2.gz GXSWVIOECWTQAR-AWEZNQCLSA-N -1 0 423.336 3.113 50 0 HGAARM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1I ZINC000095945910 559089345 /nfs/dbraw/zinc/08/93/45/559089345.db2.gz YOOQIEVWUFPCCT-UHFFFAOYSA-N -1 0 417.224 3.099 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCc3ccc(C)cc3)cs2)cc1 ZINC000011693238 559187524 /nfs/dbraw/zinc/18/75/24/559187524.db2.gz KNYUTDAZIHJPPS-UHFFFAOYSA-N -1 0 417.512 3.191 50 0 HGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)c1 ZINC000005084123 559242315 /nfs/dbraw/zinc/24/23/15/559242315.db2.gz HKZKWXARTDDUBA-UHFFFAOYSA-N -1 0 417.512 3.474 50 0 HGAARM CSCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000011865611 559263837 /nfs/dbraw/zinc/26/38/37/559263837.db2.gz CQFIPENQQSWWCU-MRXNPFEDSA-N -1 0 417.483 3.411 50 0 HGAARM CCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238900033 559271552 /nfs/dbraw/zinc/27/15/52/559271552.db2.gz HVHOUBUTSQGNJT-SHTZXODSSA-N -1 0 401.459 3.132 50 0 biogenic HGAARM CCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238901315 559271691 /nfs/dbraw/zinc/27/16/91/559271691.db2.gz LJPREBXHNZWEQC-MQMHXKEQSA-N -1 0 421.877 3.395 50 0 biogenic HGAARM CCc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2oc1=O ZINC000245240736 559272925 /nfs/dbraw/zinc/27/29/25/559272925.db2.gz SEGTZRRVJWOQKQ-SHTZXODSSA-N -1 0 401.459 3.050 50 0 HGAARM CCn1nccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000028249317 559277970 /nfs/dbraw/zinc/27/79/70/559277970.db2.gz VRDQLGKSNZFHQU-UHFFFAOYSA-N -1 0 409.103 3.229 50 0 HGAARM CCCCNC(=O)c1c(N)n(-c2ccc(C(=O)[O-])cc2)c2nc3ccccc3nc21 ZINC000005515972 560603918 /nfs/dbraw/zinc/60/39/18/560603918.db2.gz OFVBIJLKOMNAIF-UHFFFAOYSA-N -1 0 403.442 3.384 50 0 HGAARM CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000036371032 560650507 /nfs/dbraw/zinc/65/05/07/560650507.db2.gz OMOKWYAQVYBHMG-UMKHLJCSSA-N -1 0 412.548 3.457 50 0 HGAARM COc1cc(COC(=O)c2ccccc2[N-]S(C)(=O)=O)ccc1OC(F)F ZINC000018263476 560785698 /nfs/dbraw/zinc/78/56/98/560785698.db2.gz FPNZEYCGJPNMEI-UHFFFAOYSA-N -1 0 401.387 3.025 50 0 HGAARM Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c3=4)n2)cc1 ZINC000101277563 560790310 /nfs/dbraw/zinc/79/03/10/560790310.db2.gz VATKVPBORYPHSU-MOPGFXCFSA-N -1 0 416.441 3.155 50 0 HGAARM O=C(NCc1ccc(F)cc1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722627 560798930 /nfs/dbraw/zinc/79/89/30/560798930.db2.gz WMVTZIMDWRBTGZ-UHFFFAOYSA-N -1 0 407.376 3.300 50 0 HGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(OC)c4)cnn32)cc1 ZINC000102810665 560829339 /nfs/dbraw/zinc/82/93/39/560829339.db2.gz SUHBFUFYVFYRQI-LJQANCHMSA-N -1 0 420.425 3.136 50 0 HGAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccccn3)cc2)c1 ZINC000006507405 560876228 /nfs/dbraw/zinc/87/62/28/560876228.db2.gz KVARMXDVVBCDFC-UHFFFAOYSA-N -1 0 409.511 3.472 50 0 HGAARM O=C(NCCc1ccc(Br)s1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047073029 560880053 /nfs/dbraw/zinc/88/00/53/560880053.db2.gz IOMSCXIHJPAQHT-UHFFFAOYSA-N -1 0 410.318 3.008 50 0 HGAARM COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000001000488 568426978 /nfs/dbraw/zinc/42/69/78/568426978.db2.gz GSFXSFLLWNKGBG-DVOMOZLQSA-N -1 0 416.446 3.026 50 0 HGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1C ZINC000049002741 568446137 /nfs/dbraw/zinc/44/61/37/568446137.db2.gz ZCPKYOBRLXLVOM-RTBURBONSA-N -1 0 416.441 3.155 50 0 HGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NC[C@@H](C)c1ccccc1 ZINC000049003419 568446433 /nfs/dbraw/zinc/44/64/33/568446433.db2.gz DYGZDVIQBAXKMK-OAHLLOKOSA-N -1 0 412.515 3.361 50 0 HGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)c(OC)c1 ZINC000049543234 568451168 /nfs/dbraw/zinc/45/11/68/568451168.db2.gz KNQDXDOCQRZHTO-OAHLLOKOSA-N -1 0 408.410 3.372 50 0 biogenic HGAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(OC)c1 ZINC000000802785 568485125 /nfs/dbraw/zinc/48/51/25/568485125.db2.gz JFRXTBZSHCBHTN-UHFFFAOYSA-N -1 0 402.428 3.350 50 0 HGAARM CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000024432832 568511454 /nfs/dbraw/zinc/51/14/54/568511454.db2.gz AMNYOMROUYANAM-UHFFFAOYSA-N -1 0 418.240 3.486 50 0 HGAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2-c2cn3c(n2)SCC3)c1C ZINC000390826802 568591219 /nfs/dbraw/zinc/59/12/19/568591219.db2.gz BZGWXMDTNCUKRQ-UHFFFAOYSA-N -1 0 403.533 3.290 50 0 HGAARM CCc1c([O-])nc(SCc2nnc(C(C)C)n2C)n(-c2ccccc2OC)c1=O ZINC000095351237 568601098 /nfs/dbraw/zinc/60/10/98/568601098.db2.gz XHXUZSBWYSZVAR-UHFFFAOYSA-N -1 0 415.519 3.053 50 0 HGAARM COc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1OCC(=O)[O-] ZINC000095424367 568607473 /nfs/dbraw/zinc/60/74/73/568607473.db2.gz JMAZBXWUYKMNGB-UHFFFAOYSA-N -1 0 422.441 3.006 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)cc1C ZINC000095430563 568608868 /nfs/dbraw/zinc/60/88/68/568608868.db2.gz SUPWQKXAEZOERJ-UHFFFAOYSA-N -1 0 415.471 3.274 50 0 HGAARM COc1cc(S(=O)(=O)Nc2cccc3ccc(O)cc32)cc(C(=O)[O-])c1OC ZINC000095431815 568609103 /nfs/dbraw/zinc/60/91/03/568609103.db2.gz IODUKZREXGDVGL-UHFFFAOYSA-N -1 0 403.412 3.062 50 0 HGAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC000095469147 568625511 /nfs/dbraw/zinc/62/55/11/568625511.db2.gz MDJRGQNJYANXJM-UHFFFAOYSA-N -1 0 424.404 3.052 50 0 HGAARM COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000095532107 568635412 /nfs/dbraw/zinc/63/54/12/568635412.db2.gz YKJAIANSYDZGEO-HXUWFJFHSA-N -1 0 412.442 3.255 50 0 HGAARM Cn1cc(C(=O)NCCCCCCC(=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000095956955 568669527 /nfs/dbraw/zinc/66/95/27/568669527.db2.gz WXFILEXZOQKHDY-UHFFFAOYSA-N -1 0 401.463 3.013 50 0 HGAARM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000095989445 568677371 /nfs/dbraw/zinc/67/73/71/568677371.db2.gz GEYWUCAXHNODJI-ZDUSSCGKSA-N -1 0 413.421 3.436 50 0 HGAARM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000241587931 568731522 /nfs/dbraw/zinc/73/15/22/568731522.db2.gz OYFKKZAPHYAAMJ-NSHDSACASA-N -1 0 407.332 3.009 50 0 HGAARM CC(C)c1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000096361288 568739309 /nfs/dbraw/zinc/73/93/09/568739309.db2.gz LZZNTYUVBJSBJB-UHFFFAOYSA-N -1 0 416.478 3.403 50 0 HGAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022577998 568770064 /nfs/dbraw/zinc/77/00/64/568770064.db2.gz HHLCRLOFFCOWAD-MRXNPFEDSA-N -1 0 405.955 3.439 50 0 HGAARM CN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022577380 568770198 /nfs/dbraw/zinc/77/01/98/568770198.db2.gz CAFJOBYJAIIIHT-MRXNPFEDSA-N -1 0 413.478 3.232 50 0 HGAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3)CC2)cc1 ZINC000022609447 568771773 /nfs/dbraw/zinc/77/17/73/568771773.db2.gz ALPZGXZXMWFFLN-LJQANCHMSA-N -1 0 421.526 3.417 50 0 HGAARM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000055632517 568781130 /nfs/dbraw/zinc/78/11/30/568781130.db2.gz WJPUESVTJUURTQ-UHFFFAOYSA-N -1 0 404.797 3.450 50 0 HGAARM CCOCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2[n-]c1=S ZINC000002972222 568832113 /nfs/dbraw/zinc/83/21/13/568832113.db2.gz NHKULLWFRNCLGP-RHSMWYFYSA-N -1 0 403.548 3.420 50 0 HGAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(C)cc(=O)oc3c2)c1 ZINC000012536299 568845871 /nfs/dbraw/zinc/84/58/71/568845871.db2.gz GZWKRXPANPPRMJ-UHFFFAOYSA-N -1 0 407.831 3.342 50 0 HGAARM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000003368285 568889562 /nfs/dbraw/zinc/88/95/62/568889562.db2.gz GRVRGPOYJJLWSP-UHFFFAOYSA-N -1 0 424.478 3.455 50 0 HGAARM CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000004029919 568934453 /nfs/dbraw/zinc/93/44/53/568934453.db2.gz MPLPGXPNFRRIQN-ACJLOTCBSA-N -1 0 401.459 3.055 50 0 biogenic HGAARM Cc1c2ccc(OCC(=O)N3CCC[C@@H]3C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000004064125 568937436 /nfs/dbraw/zinc/93/74/36/568937436.db2.gz ZXKZWCICKGRYPF-HXUWFJFHSA-N -1 0 421.449 3.147 50 0 biogenic HGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000015730424 568981001 /nfs/dbraw/zinc/98/10/01/568981001.db2.gz WPGBMLRPNZXHKU-LLVKDONJSA-N -1 0 408.501 3.327 50 0 HGAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccccc1Cl ZINC000008380224 568996203 /nfs/dbraw/zinc/99/62/03/568996203.db2.gz LTTMUYCBJPFRRE-INIZCTEOSA-N -1 0 412.902 3.104 50 0 HGAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000012901410 569020792 /nfs/dbraw/zinc/02/07/92/569020792.db2.gz OEKUPHHOEWMBRL-MRXNPFEDSA-N -1 0 401.459 3.117 50 0 biogenic HGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000001210752 569060347 /nfs/dbraw/zinc/06/03/47/569060347.db2.gz SDZRJVCXOGRYLC-IBGZPJMESA-N -1 0 417.421 3.439 50 0 biogenic HGAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000006720190 569098180 /nfs/dbraw/zinc/09/81/80/569098180.db2.gz CGQRWXCSCPJTOL-UHFFFAOYSA-N -1 0 416.499 3.366 50 0 HGAARM O=C([O-])c1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1 ZINC000006862991 569158774 /nfs/dbraw/zinc/15/87/74/569158774.db2.gz ODDDMPHZEYJMJL-OQLLNIDSSA-N -1 0 400.387 3.199 50 0 HGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866758 569158948 /nfs/dbraw/zinc/15/89/48/569158948.db2.gz QYDYDMQHZBWORI-CQSZACIVSA-N -1 0 400.500 3.492 50 0 HGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000006887514 569170770 /nfs/dbraw/zinc/17/07/70/569170770.db2.gz BJVOPWMGZOECKE-UHFFFAOYSA-N -1 0 401.282 3.372 50 0 HGAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1 ZINC000065097466 569176538 /nfs/dbraw/zinc/17/65/38/569176538.db2.gz LIDGBARSCIYTQC-UHFFFAOYSA-N -1 0 418.500 3.143 50 0 HGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115355 569179398 /nfs/dbraw/zinc/17/93/98/569179398.db2.gz OEQACUWWLCPAGQ-UHFFFAOYSA-N -1 0 415.471 3.263 50 0 HGAARM CCC[C@H](CC(=O)[O-])NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000170592175 569241092 /nfs/dbraw/zinc/24/10/92/569241092.db2.gz OSXQEYQWWAIKNY-RTBURBONSA-N -1 0 416.905 3.441 50 0 HGAARM COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@@H](C)C(=O)[O-])n2)cc1 ZINC000007498917 569242695 /nfs/dbraw/zinc/24/26/95/569242695.db2.gz ADSZBQJHJGFLEB-LBPRGKRZSA-N -1 0 410.434 3.261 50 0 HGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(F)c3)C2)c(OC)c1 ZINC000170612482 569246425 /nfs/dbraw/zinc/24/64/25/569246425.db2.gz YWTJBQOYSFIBIM-SFHVURJKSA-N -1 0 400.406 3.385 50 0 HGAARM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(N3CCCCC3)c2)cc1F ZINC000170617483 569248121 /nfs/dbraw/zinc/24/81/21/569248121.db2.gz DFEALWNRMOLJKQ-UHFFFAOYSA-N -1 0 409.458 3.163 50 0 HGAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000006681541 569280051 /nfs/dbraw/zinc/28/00/51/569280051.db2.gz YHWQSVODBGIBRP-UHFFFAOYSA-N -1 0 415.496 3.161 50 0 HGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002102780 569281463 /nfs/dbraw/zinc/28/14/63/569281463.db2.gz AVZBBCQYLVZZEX-RBZFPXEDSA-N -1 0 403.475 3.438 50 0 biogenic HGAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002153722 569290160 /nfs/dbraw/zinc/29/01/60/569290160.db2.gz CQFIPENQQSWWCU-INIZCTEOSA-N -1 0 417.483 3.411 50 0 biogenic HGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])C(C)C)oc1c3CCCC1 ZINC000002156926 569290390 /nfs/dbraw/zinc/29/03/90/569290390.db2.gz XYFLNKSXHSXHMO-NRFANRHFSA-N -1 0 411.454 3.494 50 0 biogenic HGAARM Cc1ccc2c(nc3sc(=Cc4cn(CC(=O)[O-])c5ccccc45)c(=O)n23)c1C ZINC000252627638 569310940 /nfs/dbraw/zinc/31/09/40/569310940.db2.gz RYMCZPKGMXJBSB-UHFFFAOYSA-N -1 0 403.463 3.113 50 0 HGAARM CC(C)Nc1nc([N-]N=c2nc(Cl)[nH]c(NC(C)(C)C)n2)nc(NC(C)C)n1 ZINC000002311435 569373903 /nfs/dbraw/zinc/37/39/03/569373903.db2.gz MUVBQRCZRFBJKH-UHFFFAOYSA-N -1 0 409.930 3.000 50 0 HGAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000253609716 569383226 /nfs/dbraw/zinc/38/32/26/569383226.db2.gz BHQCQFFYRZLCQQ-IQMYTQCJSA-N -1 0 408.579 3.449 50 0 HGAARM O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 ZINC000027645168 569385733 /nfs/dbraw/zinc/38/57/33/569385733.db2.gz VJGGHXVGBSZVMZ-NYVLTPPFSA-N -1 0 424.921 3.195 50 0 in-vitro HGAARM Cc1nn(-c2nnc(C)c(=O)[n-]2)c(C)c1SCC(=O)Nc1ccc(Cl)cc1 ZINC000027756638 569393166 /nfs/dbraw/zinc/39/31/66/569393166.db2.gz XUMIQIQGIGCDRF-UHFFFAOYSA-N -1 0 404.883 3.072 50 0 HGAARM O=S(=O)([N-]c1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1F ZINC000013009990 569407212 /nfs/dbraw/zinc/40/72/12/569407212.db2.gz PTCJXIJHNHAZQE-UHFFFAOYSA-N -1 0 410.434 3.346 50 0 HGAARM CC1(C)Cc2c(sc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c23)CO1 ZINC000000721642 571041237 /nfs/dbraw/zinc/04/12/37/571041237.db2.gz JLXVXGKYMTUZAT-UHFFFAOYSA-N -1 0 402.497 3.475 50 0 HGAARM Cc1[n-]n2c(nc(SCC(=O)Nc3ccc(F)cc3)nc2=O)c1-c1ccccc1 ZINC000009107450 571221797 /nfs/dbraw/zinc/22/17/97/571221797.db2.gz KQVHSFLKGHHTCF-UHFFFAOYSA-N -1 0 409.446 3.263 50 0 HGAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C)n1C ZINC000009684823 571279539 /nfs/dbraw/zinc/27/95/39/571279539.db2.gz GCMANDYPHYYPAJ-UHFFFAOYSA-N -1 0 413.902 3.471 50 0 HGAARM Cc1ccc2nc(NC(=O)CSC3=Nc4ccccc4S(=O)(=O)[N-]3)sc2c1 ZINC000009708794 571281002 /nfs/dbraw/zinc/28/10/02/571281002.db2.gz AACFQRSXNRRBLP-UHFFFAOYSA-N -1 0 418.525 3.447 50 0 HGAARM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)c1ccccc1 ZINC000009789007 571285508 /nfs/dbraw/zinc/28/55/08/571285508.db2.gz QPSWFZSWVHBBRK-UHFFFAOYSA-N -1 0 417.464 3.294 50 0 HGAARM C[C@H]1CCCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)C1 ZINC000009828491 571286824 /nfs/dbraw/zinc/28/68/24/571286824.db2.gz NPIJXOUTMKYKAO-LBPRGKRZSA-N -1 0 413.952 3.398 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1 ZINC000009828646 571286981 /nfs/dbraw/zinc/28/69/81/571286981.db2.gz WEJODKAFBFTGLP-UHFFFAOYSA-N -1 0 421.475 3.273 50 0 HGAARM C[C@H]1Cc2ccccc2N1C(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828700 571287059 /nfs/dbraw/zinc/28/70/59/571287059.db2.gz HBOYAKIPCCGJHH-AWEZNQCLSA-N -1 0 413.524 3.464 50 0 HGAARM COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000009828645 571287063 /nfs/dbraw/zinc/28/70/63/571287063.db2.gz DAPGLLSBFWCVMS-UHFFFAOYSA-N -1 0 417.512 3.442 50 0 HGAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000010352650 571301192 /nfs/dbraw/zinc/30/11/92/571301192.db2.gz QVSCMPNBOXSRMX-UHFFFAOYSA-N -1 0 415.540 3.282 50 0 HGAARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC ZINC000033908541 571316226 /nfs/dbraw/zinc/31/62/26/571316226.db2.gz SOXHZDBSJMTDEC-AUWJEWJLSA-N -1 0 422.359 3.193 50 0 HGAARM