smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000008744486 204342420 /nfs/dbraw/zinc/34/24/20/204342420.db2.gz GCWZGVGNKBPAGY-UHFFFAOYSA-N -1 1 359.838 3.502 50 10 FHCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000008744486 204342422 /nfs/dbraw/zinc/34/24/22/204342422.db2.gz GCWZGVGNKBPAGY-UHFFFAOYSA-N -1 1 359.838 3.502 50 10 FHCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000008744486 204342426 /nfs/dbraw/zinc/34/24/26/204342426.db2.gz GCWZGVGNKBPAGY-UHFFFAOYSA-N -1 1 359.838 3.502 50 10 FHCAMM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c(Br)c1 ZINC000100147858 570499980 /nfs/dbraw/zinc/49/99/80/570499980.db2.gz KCFYAJPHEPFFGY-NTEUORMPSA-N -1 1 357.207 3.961 50 10 FHCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000018141842 570875820 /nfs/dbraw/zinc/87/58/20/570875820.db2.gz OAWKRQVPBNTFBJ-UHFFFAOYSA-N -1 1 372.833 3.674 50 10 FHCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000018141842 570875824 /nfs/dbraw/zinc/87/58/24/570875824.db2.gz OAWKRQVPBNTFBJ-UHFFFAOYSA-N -1 1 372.833 3.674 50 10 FHCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000018141842 570875827 /nfs/dbraw/zinc/87/58/27/570875827.db2.gz OAWKRQVPBNTFBJ-UHFFFAOYSA-N -1 1 372.833 3.674 50 10 FHCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000012419466 570743880 /nfs/dbraw/zinc/74/38/80/570743880.db2.gz PNLIGOAITMKOBJ-YBEGLDIGSA-N -1 1 357.456 3.763 50 10 FHCAMM Cc1cccc(OCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)c1 ZINC000013942523 570798360 /nfs/dbraw/zinc/79/83/60/570798360.db2.gz BQUDXGJMHGBKEK-ATVHPVEESA-N -1 1 371.483 3.942 50 10 FHCAMM CCOc1ccccc1Oc1coc2c(ccc([O-])c2CN(C)C)c1=O ZINC000020391655 570915208 /nfs/dbraw/zinc/91/52/08/570915208.db2.gz HQPXTCAZYIPFKN-UHFFFAOYSA-N -1 1 355.390 3.751 50 10 FHCAMM Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000095471530 571330700 /nfs/dbraw/zinc/33/07/00/571330700.db2.gz MTLXJESHNCDUPK-ZROIWOOFSA-N -1 1 372.768 3.672 50 10 FHCAMM O=C(Nc1cc(=O)n(-c2ccc(Oc3ccccc3)cc2)[n-]1)c1ccccc1 ZINC000002565273 204045226 /nfs/dbraw/zinc/04/52/26/204045226.db2.gz FGCDQBHDUJXTRT-UHFFFAOYSA-N -1 1 371.396 3.959 50 10 FHCAMM CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000004471907 204139910 /nfs/dbraw/zinc/13/99/10/204139910.db2.gz NKLDKEUNSNSZPL-RGEXLXHISA-N -1 1 358.397 3.970 50 10 FHCAMM Cc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000005612986 204218396 /nfs/dbraw/zinc/21/83/96/204218396.db2.gz YGYANHHTEASAOU-XSFVSMFZSA-N -1 1 357.413 3.556 50 10 FHCAMM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([O-])c(O)c1 ZINC000006172346 204239252 /nfs/dbraw/zinc/23/92/52/204239252.db2.gz LJQVJNGFRYYMSU-UHFFFAOYSA-N -1 1 362.794 3.776 50 10 FHCAMM O=C(CSc1nc(C2CC2)nc2ccccc21)c1ccc([O-])c(O)c1 ZINC000009155525 204355702 /nfs/dbraw/zinc/35/57/02/204355702.db2.gz KOFZOBQLHQLUJV-UHFFFAOYSA-N -1 1 352.415 3.893 50 10 FHCAMM O=C(CSc1ncnc2c3ccccc3oc21)c1ccc([O-])c(O)c1 ZINC000009949508 204387547 /nfs/dbraw/zinc/38/75/47/204387547.db2.gz WGASOOKDKZFESB-UHFFFAOYSA-N -1 1 352.371 3.762 50 10 FHCAMM O=C1Sc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)c3cccc1c23 ZINC000001089990 570480199 /nfs/dbraw/zinc/48/01/99/570480199.db2.gz WFBOYGLJHLAKQU-UHFFFAOYSA-N -1 1 357.412 3.592 50 10 FHCAMM O=C1[N-]C(=S)N(C2CC2)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 ZINC000017246797 570747105 /nfs/dbraw/zinc/74/71/05/570747105.db2.gz NFRVSQKFYHFMCC-LGMDPLHJSA-N -1 1 369.490 3.696 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000013940845 570798101 /nfs/dbraw/zinc/79/81/01/570798101.db2.gz JQQAPUNZTKUGSM-WQLSENKSSA-N -1 1 365.277 3.729 50 10 FHCAMM Cc1c(/C=C2\NC(=S)[N-]C2=O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000004116417 204121583 /nfs/dbraw/zinc/12/15/83/204121583.db2.gz MYGUIPPBGCQTES-PDGQHHTCSA-N -1 1 359.454 3.798 50 10 FHCAMM O=C1[N-]C(=O)C(=Cc2ccc(N3CCC(C(F)(F)F)CC3)cc2)S1 ZINC000263640007 132297625 /nfs/dbraw/zinc/29/76/25/132297625.db2.gz SMOXSGFATCVGFA-LCYFTJDESA-N -1 1 356.369 3.789 50 10 FHCAMM O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000065547721 136136667 /nfs/dbraw/zinc/13/66/67/136136667.db2.gz IZMUVDQLPVWXRX-UHFFFAOYSA-N -1 1 362.882 3.529 50 10 FHCAMM C[C@@H]1CN(Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C[C@H](C)O1 ZINC000013402142 570777587 /nfs/dbraw/zinc/77/75/87/570777587.db2.gz WFVKUPXLIMZXQM-GASCZTMLSA-N -1 1 365.429 3.775 50 10 FHCAMM CC1=NN(c2ccccc2)C(=S)C1C=Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000013590186 570779842 /nfs/dbraw/zinc/77/98/42/570779842.db2.gz BNQLKYDIKIDOTN-UVTDQMKNSA-N -1 1 354.391 3.820 50 10 FHCAMM CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)cc1 ZINC000015723600 570843048 /nfs/dbraw/zinc/84/30/48/570843048.db2.gz SBRHXUZVAYQNAS-YBEGLDIGSA-N -1 1 370.430 3.595 50 10 FHCAMM Cc1cccc(OCCOc2ccccc2C=C2SC(=S)[N-]C2=O)c1 ZINC000004548321 204145125 /nfs/dbraw/zinc/14/51/25/204145125.db2.gz WDTRZRVEMGYHQZ-ATVHPVEESA-N -1 1 371.483 3.942 50 10 FHCAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c2ccccc12 ZINC000004884946 204171288 /nfs/dbraw/zinc/17/12/88/204171288.db2.gz CGOPCLIYQIJYNK-UHFFFAOYSA-N -1 1 358.375 3.563 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCCOc2ccccc2)cc1 ZINC000005201173 204197124 /nfs/dbraw/zinc/19/71/24/204197124.db2.gz HRNPZMYAZOOONQ-FOWTUZBSSA-N -1 1 357.456 3.633 50 10 FHCAMM CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c1C ZINC000008997666 204351253 /nfs/dbraw/zinc/35/12/53/204351253.db2.gz ORQCKUGAWDZSNE-UHFFFAOYSA-N -1 1 367.474 3.720 50 10 FHCAMM CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c1C ZINC000008997666 204351257 /nfs/dbraw/zinc/35/12/57/204351257.db2.gz ORQCKUGAWDZSNE-UHFFFAOYSA-N -1 1 367.474 3.720 50 10 FHCAMM CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)[N-]C(=S)NC2=O)c1C ZINC000008997666 204351260 /nfs/dbraw/zinc/35/12/60/204351260.db2.gz ORQCKUGAWDZSNE-UHFFFAOYSA-N -1 1 367.474 3.720 50 10 FHCAMM Cc1ccccc1OCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000013897842 570795264 /nfs/dbraw/zinc/79/52/64/570795264.db2.gz BVIQYPWIVIDHJT-ATVHPVEESA-N -1 1 371.483 3.942 50 10 FHCAMM CN(C)Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000019799372 571327336 /nfs/dbraw/zinc/32/73/36/571327336.db2.gz MSAORVFZOYRMPG-UHFFFAOYSA-N -1 1 352.415 3.837 50 10 FHCAMM COc1cc([O-])c(CN2CCCC2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000012896546 204505969 /nfs/dbraw/zinc/50/59/69/204505969.db2.gz RONXOUIVEPUHQU-UHFFFAOYSA-N -1 1 351.402 3.770 50 10 FHCAMM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000007155214 206207434 /nfs/dbraw/zinc/20/74/34/206207434.db2.gz MPZWJYBHAZWJBR-QPEQYQDCSA-N -1 1 363.895 3.940 50 10 FHCAMM O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000033907534 570631088 /nfs/dbraw/zinc/63/10/88/570631088.db2.gz JNQJWJCZSQOGRU-YBEGLDIGSA-N -1 1 361.426 3.835 50 10 FHCAMM COc1ccc(C2=CC(=C3SC(=S)[N-]C3=O)c3ccccc3O2)cc1 ZINC000002224729 571290083 /nfs/dbraw/zinc/29/00/83/571290083.db2.gz GISUJWNSVSRWFY-VKAVYKQESA-N -1 1 367.451 3.988 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C\c1ccccc1OCCOc1ccccc1 ZINC000002993520 204073249 /nfs/dbraw/zinc/07/32/49/204073249.db2.gz XSCCAWUGIUCJJD-VBKFSLOCSA-N -1 1 357.456 3.633 50 10 FHCAMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)cc1O ZINC000004148283 204125380 /nfs/dbraw/zinc/12/53/80/204125380.db2.gz XFMBWIGHMWXBAF-UHFFFAOYSA-N -1 1 350.396 3.533 50 10 FHCAMM CCOc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000006402450 204247093 /nfs/dbraw/zinc/24/70/93/204247093.db2.gz DWGIHJSRNLEFOQ-POHAHGRESA-N -1 1 374.281 3.757 50 10 FHCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccccc1 ZINC000008112649 204318154 /nfs/dbraw/zinc/31/81/54/204318154.db2.gz JMBPSSAWTNWCCW-GDNBJRDFSA-N -1 1 371.439 3.815 50 10 FHCAMM O=C1[N-]C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1 ZINC000008856617 204347883 /nfs/dbraw/zinc/34/78/83/204347883.db2.gz UBVUILNVPQVKBS-UHFFFAOYSA-N -1 1 356.765 3.509 50 10 FHCAMM O=C1[N-]C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1 ZINC000008856617 204347888 /nfs/dbraw/zinc/34/78/88/204347888.db2.gz UBVUILNVPQVKBS-UHFFFAOYSA-N -1 1 356.765 3.509 50 10 FHCAMM Cn1cc(C=C2C(=O)[N-]C(=S)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000016944788 570863819 /nfs/dbraw/zinc/86/38/19/570863819.db2.gz LLZKGHNDBDRIKG-WJDWOHSUSA-N -1 1 367.474 3.978 50 10 FHCAMM C[C@@H]1CN(Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C[C@@H](C)O1 ZINC000019790393 570902942 /nfs/dbraw/zinc/90/29/42/570902942.db2.gz WFVKUPXLIMZXQM-HUUCEWRRSA-N -1 1 365.429 3.775 50 10 FHCAMM CCOC(=O)c1cccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)c1 ZINC000001178022 219385381 /nfs/dbraw/zinc/38/53/81/219385381.db2.gz UUBRCQNMEFPASH-MHWRWJLKSA-N -1 1 370.430 3.595 50 10 FHCAMM CC(C)CCN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000013799878 204553398 /nfs/dbraw/zinc/55/33/98/204553398.db2.gz KTUOIVMMOFFPLH-HKWRFOASSA-N -1 1 363.461 3.630 50 10 FHCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000001207996 570492642 /nfs/dbraw/zinc/49/26/42/570492642.db2.gz ISCHQYHWLATBOZ-MHWRWJLKSA-N -1 1 357.504 3.649 50 10 FHCAMM O=C1N=C(N2CCCCC2)S/C1=C\c1ccc([O-])c(Br)c1 ZINC000026456112 571005787 /nfs/dbraw/zinc/00/57/87/571005787.db2.gz IAAOGNRMMJCWPL-LCYFTJDESA-N -1 1 367.268 3.611 50 10 FHCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCc1ccccc1 ZINC000001122132 219374119 /nfs/dbraw/zinc/37/41/19/219374119.db2.gz NDNAEMFCURBEDJ-SFQUDFHCSA-N -1 1 371.483 3.806 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C\c1cccc(OCCOc2ccccc2)c1 ZINC000004551118 207028426 /nfs/dbraw/zinc/02/84/26/207028426.db2.gz CZCBVWNKTKAAJH-VBKFSLOCSA-N -1 1 357.456 3.633 50 10 FHCAMM CCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)cc1 ZINC000005327483 207094117 /nfs/dbraw/zinc/09/41/17/207094117.db2.gz MIEWRNAOOGJTRO-CPNJWEJPSA-N -1 1 363.417 3.890 50 10 FHCAMM COC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000005443087 207101109 /nfs/dbraw/zinc/10/11/09/207101109.db2.gz HTGRAOKWJRMZNK-UNOMPAQXSA-N -1 1 363.417 3.809 50 10 FHCAMM CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccc(C)cc1 ZINC000005478343 207102293 /nfs/dbraw/zinc/10/22/93/207102293.db2.gz CLTVTZHIRSCAIS-UHFFFAOYSA-N -1 1 369.446 3.660 50 10 FHCAMM COC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)cc1 ZINC000005578408 207107481 /nfs/dbraw/zinc/10/74/81/207107481.db2.gz LMFVMOPMEOESHK-PDGQHHTCSA-N -1 1 363.417 3.809 50 10 FHCAMM O=C(CSc1ncnc2sc3c(c21)CCCC3)c1ccc([O-])c(O)c1 ZINC000006111918 527074554 /nfs/dbraw/zinc/07/45/54/527074554.db2.gz NSXZSYMUGJUDGW-UHFFFAOYSA-N -1 1 372.471 3.956 50 10 FHCAMM Cc1ccc(OCCOc2ccccc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000003002780 570549655 /nfs/dbraw/zinc/54/96/55/570549655.db2.gz TVYYYDMRRUIOID-SFQUDFHCSA-N -1 1 371.483 3.942 50 10 FHCAMM COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)c1C ZINC000013785460 570791003 /nfs/dbraw/zinc/79/10/03/570791003.db2.gz VUXBARPGJVPWRH-SXGWCWSVSA-N -1 1 370.430 3.513 50 10 FHCAMM COC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)cc1 ZINC000101114216 570816937 /nfs/dbraw/zinc/81/69/37/570816937.db2.gz LMFVMOPMEOESHK-LDADJPATSA-N -1 1 363.417 3.809 50 10 FHCAMM Cc1cccc(-n2ccnc2SCC(=O)c2ccc([O-])c(O)c2)c1C ZINC000026047303 571002561 /nfs/dbraw/zinc/00/25/61/571002561.db2.gz VUEZUPLFGKYCIS-UHFFFAOYSA-N -1 1 354.431 3.875 50 10 FHCAMM CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN(C)C)c1[O-] ZINC000000870793 571107764 /nfs/dbraw/zinc/10/77/64/571107764.db2.gz WODPKECPEKLTJE-UHFFFAOYSA-N -1 1 363.417 3.666 50 10 FHCAMM O=C([O-])c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1 ZINC000217908469 571351477 /nfs/dbraw/zinc/35/14/77/571351477.db2.gz UNEOJETYYXHFBN-UHFFFAOYSA-N -1 1 361.313 3.634 50 10 FHCAMM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2c(O)ccc3ccccc32)N1 ZINC000001896398 209391193 /nfs/dbraw/zinc/39/11/93/209391193.db2.gz CEKACLSWRGWQLZ-UWJYYQICSA-N -1 1 358.397 3.715 50 10 biogenic FHCAMM Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000016160838 570851669 /nfs/dbraw/zinc/85/16/69/570851669.db2.gz XPMYKXXXIXCDNN-GDNBJRDFSA-N -1 1 355.781 3.757 50 10 FHCAMM Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000019732264 570901370 /nfs/dbraw/zinc/90/13/70/570901370.db2.gz LUZUCJIZDRQNQT-YBEGLDIGSA-N -1 1 366.377 3.636 50 10 FHCAMM O=C(OCc1ccccc1)c1ccc(/C=C2/SC(=S)[N-]C2=O)cc1 ZINC000096234404 209142223 /nfs/dbraw/zinc/14/22/23/209142223.db2.gz GLUAPMCQDCJDQG-XNTDXEJSSA-N -1 1 355.440 3.532 50 10 FHCAMM CN1C(=O)C(=Cc2cccn2-c2ccc3ccccc3c2)C(=O)[N-]C1=S ZINC000004739686 207045414 /nfs/dbraw/zinc/04/54/14/207045414.db2.gz RMEMWNQXLLPLBM-SFQUDFHCSA-N -1 1 361.426 3.727 50 10 FHCAMM Cc1ccc(N2[N-]C(=O)/C(=C\C=C\c3ccccc3Cl)C2=O)cc1C ZINC000000725632 570453629 /nfs/dbraw/zinc/45/36/29/570453629.db2.gz LMVJXZPSAZVVRT-NQLWTVTNSA-N -1 1 352.821 3.974 50 10 FHCAMM CC(C)[C@@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096114874 571334478 /nfs/dbraw/zinc/33/44/78/571334478.db2.gz RWOIKNLTSBNMMX-LBPRGKRZSA-N -1 1 366.369 3.920 50 10 FHCAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2c(O)ccc3ccccc32)N1 ZINC000001896403 209391453 /nfs/dbraw/zinc/39/14/53/209391453.db2.gz CEKACLSWRGWQLZ-UTKZUKDTSA-N -1 1 358.397 3.715 50 10 biogenic FHCAMM O=c1c2ccc3c(c2[n-]n1CCC1=CCCCC1)C(=O)c1ccccc1C3=O ZINC000005177119 207086689 /nfs/dbraw/zinc/08/66/89/207086689.db2.gz VYEVHCWFYYUNGZ-UHFFFAOYSA-N -1 1 372.424 3.996 50 10 FHCAMM CCCCCCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S ZINC000006782989 571246266 /nfs/dbraw/zinc/24/62/66/571246266.db2.gz VRXGUEWXBVYKFV-VBKFSLOCSA-N -1 1 369.490 3.797 50 10 FHCAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1[N+](=O)[O-] ZINC000004884949 207058166 /nfs/dbraw/zinc/05/81/66/207058166.db2.gz QNCWCZOZZJDSSO-UHFFFAOYSA-N -1 1 358.375 3.563 50 10 FHCAMM CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(Cl)c1[O-] ZINC000007701157 207203168 /nfs/dbraw/zinc/20/31/68/207203168.db2.gz XOGUIBNJNVZQNQ-UVTDQMKNSA-N -1 1 366.870 3.901 50 10 FHCAMM Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000016672090 570860097 /nfs/dbraw/zinc/86/00/97/570860097.db2.gz QSPJYEVJGCYROP-ZROIWOOFSA-N -1 1 372.768 3.672 50 10 FHCAMM O=C1[N-]C(=S)N(Cc2ccc(F)cc2)C(=O)C1=CC=Cc1ccco1 ZINC000016944399 570863680 /nfs/dbraw/zinc/86/36/80/570863680.db2.gz RGMJOBQRVNCCSE-JPAWQYAOSA-N -1 1 356.378 3.642 50 10 FHCAMM CCc1cc2c(=O)c(OC3=CC[C@H](F)C=C3)c(C)oc2c(CN(C)C)c1[O-] ZINC000004756007 207046927 /nfs/dbraw/zinc/04/69/27/207046927.db2.gz PRQJWRQTUFPLSW-CQSZACIVSA-N -1 1 373.424 3.992 50 10 FHCAMM Cc1ccc(Nc2nnc(SCC(=O)c3ccc([O-])c(O)c3)s2)cc1 ZINC000005624281 207109149 /nfs/dbraw/zinc/10/91/49/207109149.db2.gz HZYDMIGYBHEMEP-UHFFFAOYSA-N -1 1 373.459 3.976 50 10 FHCAMM Cc1ccc(C(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000022184642 568219678 /nfs/dbraw/zinc/21/96/78/568219678.db2.gz YKKDTEIQEZBSGH-GDNBJRDFSA-N -1 1 355.440 3.703 50 10 FHCAMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)c3cccc1c23 ZINC000001212938 570493773 /nfs/dbraw/zinc/49/37/73/570493773.db2.gz FQWAQUPLBBOCSP-UHFFFAOYSA-N -1 1 374.805 3.565 50 10 FHCAMM CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1 ZINC000016134369 570851192 /nfs/dbraw/zinc/85/11/92/570851192.db2.gz QUFNJDIJEMMFQV-ZROIWOOFSA-N -1 1 359.428 3.612 50 10 FHCAMM COc1ccc(Oc2c(C)oc3c(ccc([O-])c3CN(C)C)c2=O)cc1 ZINC000005149793 206800611 /nfs/dbraw/zinc/80/06/11/206800611.db2.gz ZGTMHIRULLSPEI-UHFFFAOYSA-N -1 1 355.390 3.670 50 10 biogenic FHCAMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCCOc2ccccc2)cc1 ZINC000005947468 571169077 /nfs/dbraw/zinc/16/90/77/571169077.db2.gz HRNPZMYAZOOONQ-VBKFSLOCSA-N -1 1 357.456 3.633 50 10 FHCAMM Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000007155197 571262348 /nfs/dbraw/zinc/26/23/48/571262348.db2.gz AXJYABDGVMCSOV-AUWJEWJLSA-N -1 1 363.895 3.690 50 10 FHCAMM CCc1cc2c(=O)c(OC3=CC[C@@H](F)C=C3)c(C)oc2c(CN(C)C)c1[O-] ZINC000004756008 207046229 /nfs/dbraw/zinc/04/62/29/207046229.db2.gz PRQJWRQTUFPLSW-AWEZNQCLSA-N -1 1 373.424 3.992 50 10 FHCAMM Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000008997317 207255042 /nfs/dbraw/zinc/25/50/42/207255042.db2.gz XBSQNUIBXZNKOB-UHFFFAOYSA-N -1 1 359.838 3.502 50 10 FHCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000008997317 207255046 /nfs/dbraw/zinc/25/50/46/207255046.db2.gz XBSQNUIBXZNKOB-UHFFFAOYSA-N -1 1 359.838 3.502 50 10 FHCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000008997317 207255049 /nfs/dbraw/zinc/25/50/49/207255049.db2.gz XBSQNUIBXZNKOB-UHFFFAOYSA-N -1 1 359.838 3.502 50 10 FHCAMM Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000017748427 570762080 /nfs/dbraw/zinc/76/20/80/570762080.db2.gz WWTJCQFTIIDRDX-GDNBJRDFSA-N -1 1 355.781 3.757 50 10 FHCAMM COc1ccc2c(C)cc(SCC(=O)c3ccc([O-])c(O)c3)nc2c1 ZINC000022636444 570948409 /nfs/dbraw/zinc/94/84/09/570948409.db2.gz HLNAQXJNRPJKOH-UHFFFAOYSA-N -1 1 355.415 3.938 50 10 FHCAMM CCOc1ccc(-n2c(C)cc(C=C3SC(=S)[N-]C3=O)c2C)cc1 ZINC000015911569 571183966 /nfs/dbraw/zinc/18/39/66/571183966.db2.gz OMFVTXRDIKXPIB-YBEGLDIGSA-N -1 1 358.488 3.982 50 10 FHCAMM COc1ccc(C=C2C(=O)[N-]C(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000017086574 571274926 /nfs/dbraw/zinc/27/49/26/571274926.db2.gz OTBQPMOXEYNZDA-UVTDQMKNSA-N -1 1 374.462 3.504 50 10 FHCAMM CN(C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Br)cc3)coc21 ZINC000020358282 571328879 /nfs/dbraw/zinc/32/88/79/571328879.db2.gz UCXQHTRZQYYKTM-UHFFFAOYSA-N -1 1 374.234 3.990 50 10 FHCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000015218822 211126089 /nfs/dbraw/zinc/12/60/89/211126089.db2.gz ISCHQYHWLATBOZ-YBEGLDIGSA-N -1 1 357.504 3.649 50 10 FHCAMM CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cccc(C)c1 ZINC000001272770 570497032 /nfs/dbraw/zinc/49/70/32/570497032.db2.gz NBEOGSYAHBRNRD-UHFFFAOYSA-N -1 1 369.446 3.660 50 10 FHCAMM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1O ZINC000101114331 570816878 /nfs/dbraw/zinc/81/68/78/570816878.db2.gz MTPQZCBSMDKBII-GXDHUFHOSA-N -1 1 372.222 3.873 50 10 FHCAMM [O-]c1c(Br)cc(Br)cc1CNc1ccccn1 ZINC000006192351 571161119 /nfs/dbraw/zinc/16/11/19/571161119.db2.gz YBGZQNQZYYQXOC-UHFFFAOYSA-N -1 1 358.033 3.924 50 10 FHCAMM Cc1cc(/C=C2\NC(=S)[N-]C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000013810226 211059577 /nfs/dbraw/zinc/05/95/77/211059577.db2.gz RRIVACVOYIHNIF-BOPFTXTBSA-N -1 1 353.491 3.737 50 10 FHCAMM CCCCN1C(=O)C(=Cc2cn(CC)c3ccccc23)C(=O)[N-]C1=S ZINC000002403963 210396475 /nfs/dbraw/zinc/39/64/75/210396475.db2.gz VCRBUSXULANOBA-RVDMUPIBSA-N -1 1 355.463 3.928 50 10 FHCAMM CCCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000103807123 570852810 /nfs/dbraw/zinc/85/28/10/570852810.db2.gz AYXMMEYJUZMDEI-XMHGGMMESA-N -1 1 363.417 3.972 50 10 FHCAMM Cc1nn(-c2ccc(C)cc2C)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000012947654 220046124 /nfs/dbraw/zinc/04/61/24/220046124.db2.gz YOORHOCBERSBLJ-QPEQYQDCSA-N -1 1 363.895 3.940 50 10 FHCAMM COc1c(Cl)cc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000015010474 211113322 /nfs/dbraw/zinc/11/33/22/211113322.db2.gz SXBFOIHATASFSA-BAQGIRSFSA-N -1 1 364.673 3.600 50 10 FHCAMM CC(C)[C@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096114875 222031323 /nfs/dbraw/zinc/03/13/23/222031323.db2.gz RWOIKNLTSBNMMX-GFCCVEGCSA-N -1 1 366.369 3.920 50 10 FHCAMM Cc1ccc(OCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1 ZINC000002998653 570548833 /nfs/dbraw/zinc/54/88/33/570548833.db2.gz OZCKTLCOJCXXMR-SFQUDFHCSA-N -1 1 371.483 3.942 50 10 FHCAMM O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)c1ccc([O-])c(O)c1 ZINC000005636997 570632151 /nfs/dbraw/zinc/63/21/51/570632151.db2.gz WJSDXVCIEJFLPM-UHFFFAOYSA-N -1 1 361.810 3.511 50 10 FHCAMM Cc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)cc1C ZINC000010844049 570944503 /nfs/dbraw/zinc/94/45/03/570944503.db2.gz BOJIRSCJAJJNAD-UHFFFAOYSA-N -1 1 356.403 3.740 50 10 FHCAMM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c(O)ccc3ccccc32)N1 ZINC000001896401 571173554 /nfs/dbraw/zinc/17/35/54/571173554.db2.gz CEKACLSWRGWQLZ-LAUBAEHRSA-N -1 1 358.397 3.715 50 10 biogenic FHCAMM O=C([N-]c1c2nonc2ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000170617630 571268455 /nfs/dbraw/zinc/26/84/55/571268455.db2.gz HQTBTONSEBFMHR-UHFFFAOYSA-N -1 1 353.121 3.690 50 10 FHCAMM Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013810497 211059529 /nfs/dbraw/zinc/05/95/29/211059529.db2.gz JWYDSNMKBRZEJJ-MKMNVTDBSA-N -1 1 366.273 3.746 50 10 FHCAMM COC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000101114404 222262590 /nfs/dbraw/zinc/26/25/90/222262590.db2.gz HTGRAOKWJRMZNK-XDHOZWIPSA-N -1 1 363.417 3.809 50 10 FHCAMM O=C(CSc1nccn1-c1ccc(Cl)cc1)c1ccc([O-])c(O)c1 ZINC000026042279 571121535 /nfs/dbraw/zinc/12/15/35/571121535.db2.gz OCSLXWRBCNMPBU-UHFFFAOYSA-N -1 1 360.822 3.912 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C\c1ccccc1OCc1cnc(Cl)s1 ZINC000004051255 944339719 /nfs/dbraw/zinc/33/97/19/944339719.db2.gz HWDOAWGTMMXWPW-WZUFQYTHSA-N -1 1 368.892 3.864 50 10 FHCAMM Cc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCOCC4)c23)cc1 ZINC000019782250 211254883 /nfs/dbraw/zinc/25/48/83/211254883.db2.gz WBPYVAMOCJSDSK-UHFFFAOYSA-N -1 1 351.402 3.510 50 10 FHCAMM CCOc1ccc(-n2c(C)cc(C=C3SC(=S)[N-]C3=O)c2C)cc1 ZINC000001158805 210328128 /nfs/dbraw/zinc/32/81/28/210328128.db2.gz OMFVTXRDIKXPIB-MHWRWJLKSA-N -1 1 358.488 3.982 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C/c1cccc(OCc2ccccc2[N+](=O)[O-])c1 ZINC000223208289 568625544 /nfs/dbraw/zinc/62/55/44/568625544.db2.gz ZCJZWTYZYREFKO-OQLLNIDSSA-N -1 1 372.427 3.663 50 10 FHCAMM Cc1ccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000003002864 570549658 /nfs/dbraw/zinc/54/96/58/570549658.db2.gz WFQPFFJITLTBHJ-SFQUDFHCSA-N -1 1 371.483 3.942 50 10 FHCAMM CC[C@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Cl ZINC000033747984 570581138 /nfs/dbraw/zinc/58/11/38/570581138.db2.gz YUWIAYDPDLGEEI-MKVDPYIPSA-N -1 1 352.843 3.614 50 10 FHCAMM O=C(OCc1cc(=O)oc2cc([O-])c(O)cc12)c1cccc2ccccc21 ZINC000007986745 571358160 /nfs/dbraw/zinc/35/81/60/571358160.db2.gz ATRSSHFHYXVKFU-UHFFFAOYSA-N -1 1 362.337 3.714 50 10 FHCAMM Cc1ccccc1OCCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000004551193 210539535 /nfs/dbraw/zinc/53/95/35/210539535.db2.gz NIVMOYJOPSBZIA-ATVHPVEESA-N -1 1 371.483 3.942 50 10 FHCAMM COc1ccc(-c2nc3sccn3c2/C=C2\SC(=S)[N-]C2=O)cc1 ZINC000002357263 210393572 /nfs/dbraw/zinc/39/35/72/210393572.db2.gz IPRKKMFGDHOSHQ-WQLSENKSSA-N -1 1 373.484 3.560 50 10 FHCAMM CC(C)(C)C(=O)Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1 ZINC000000777949 210268860 /nfs/dbraw/zinc/26/88/60/210268860.db2.gz YCYWROSNEOCQKO-UHFFFAOYSA-N -1 1 362.644 3.859 50 10 FHCAMM CN(c1ccccc1)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000033286207 571229954 /nfs/dbraw/zinc/22/99/54/571229954.db2.gz BDVNENHVHWVPHW-PGMHBOJBSA-N -1 1 369.424 3.916 50 10 FHCAMM COC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000015930149 211151085 /nfs/dbraw/zinc/15/10/85/211151085.db2.gz KRQBZSHPIYCRIY-BOPFTXTBSA-N -1 1 369.808 3.845 50 10 FHCAMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004754775 570605037 /nfs/dbraw/zinc/60/50/37/570605037.db2.gz FMEIYCYGXCSLGE-UHFFFAOYSA-N -1 1 350.396 3.533 50 10 FHCAMM COC(=O)c1ccc(NCc2c([O-])ccc3c(C)c(C)c(=O)oc32)cc1 ZINC000008744281 571058969 /nfs/dbraw/zinc/05/89/69/571058969.db2.gz QHFTZMUBCPBJIH-UHFFFAOYSA-N -1 1 353.374 3.514 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000012598728 571188204 /nfs/dbraw/zinc/18/82/04/571188204.db2.gz ODGRFEPUNYDDDJ-SDQBBNPISA-N -1 1 366.807 3.997 50 10 FHCAMM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c(O)ccc3ccccc32)N1 ZINC000001896406 571199249 /nfs/dbraw/zinc/19/92/49/571199249.db2.gz CEKACLSWRGWQLZ-DYESRHJHSA-N -1 1 358.397 3.715 50 10 biogenic FHCAMM CC[C@@H](C)N1C(=O)C(=Cc2cn(CC)c3ccccc23)C(=O)[N-]C1=S ZINC000016956474 211173224 /nfs/dbraw/zinc/17/32/24/211173224.db2.gz CHIGNHSKDFYBGF-JXCQQFQQSA-N -1 1 355.463 3.927 50 10 FHCAMM CC1=NN(c2ccccc2)C(=S)C1C=Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000013774493 211057492 /nfs/dbraw/zinc/05/74/92/211057492.db2.gz MCLFFRRUMQGNPP-UVTDQMKNSA-N -1 1 354.391 3.820 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000012428576 570743682 /nfs/dbraw/zinc/74/36/82/570743682.db2.gz YCQNONXHICAOQA-SDQBBNPISA-N -1 1 366.807 3.997 50 10 FHCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000008113717 571359004 /nfs/dbraw/zinc/35/90/04/571359004.db2.gz PNLIGOAITMKOBJ-MHWRWJLKSA-N -1 1 357.456 3.763 50 10 FHCAMM O=C1[N-]C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)[nH]2)C(=O)N1 ZINC000018086228 220223840 /nfs/dbraw/zinc/22/38/40/220223840.db2.gz NLMUDDQWRFLCTF-UHFFFAOYSA-N -1 1 350.161 3.578 50 10 FHCAMM O=C1[N-]C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)[nH]2)C(=O)N1 ZINC000018086228 220223843 /nfs/dbraw/zinc/22/38/43/220223843.db2.gz NLMUDDQWRFLCTF-UHFFFAOYSA-N -1 1 350.161 3.578 50 10 FHCAMM CN(c1ccccc1)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000005611326 263342263 /nfs/dbraw/zinc/34/22/63/263342263.db2.gz BDVNENHVHWVPHW-LTGZKZEYSA-N -1 1 369.424 3.916 50 10 FHCAMM CCOc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)cc1 ZINC000005170028 570627743 /nfs/dbraw/zinc/62/77/43/570627743.db2.gz RXBCTTGDFUAVPB-UHFFFAOYSA-N -1 1 372.402 3.522 50 10 FHCAMM Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000000693309 219314376 /nfs/dbraw/zinc/31/43/76/219314376.db2.gz RRIVACVOYIHNIF-GZTJUZNOSA-N -1 1 353.491 3.737 50 10 FHCAMM [O-]c1c(Br)cc(Br)cc1CNc1nccs1 ZINC000002260019 219434967 /nfs/dbraw/zinc/43/49/67/219434967.db2.gz CKWNPWNNAURRDW-UHFFFAOYSA-N -1 1 364.062 3.986 50 10 FHCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013757572 220092961 /nfs/dbraw/zinc/09/29/61/220092961.db2.gz UJNKSQDMWJSNMU-DHDCSXOGSA-N -1 1 373.865 3.844 50 10 FHCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000017197797 220209412 /nfs/dbraw/zinc/20/94/12/220209412.db2.gz HLDMCVNWBCPANU-UHFFFAOYSA-N -1 1 366.320 3.720 50 10 FHCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000017197797 220209417 /nfs/dbraw/zinc/20/94/17/220209417.db2.gz HLDMCVNWBCPANU-UHFFFAOYSA-N -1 1 366.320 3.720 50 10 FHCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000017197797 220209426 /nfs/dbraw/zinc/20/94/26/220209426.db2.gz HLDMCVNWBCPANU-UHFFFAOYSA-N -1 1 366.320 3.720 50 10 FHCAMM Cc1cc(C)c2nc(C)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC000017075046 220203815 /nfs/dbraw/zinc/20/38/15/220203815.db2.gz PPTOOBKUKMOVKT-UHFFFAOYSA-N -1 1 365.385 3.611 50 10 FHCAMM COc1cccc(Oc2c(C)oc3c(ccc([O-])c3CN(C)C)c2=O)c1 ZINC000020357532 220324601 /nfs/dbraw/zinc/32/46/01/220324601.db2.gz XPJGZSFTPBOJNF-UHFFFAOYSA-N -1 1 355.390 3.670 50 10 FHCAMM O=S(=O)([N-]c1ccc(O)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000075110493 571156144 /nfs/dbraw/zinc/15/61/44/571156144.db2.gz JDEWPJQTFVDCRP-UHFFFAOYSA-N -1 1 351.733 3.865 50 10 FHCAMM C[C@@H](c1ccccc1)n1[n-]c2c(ccc3c2C(=O)c2ccccc2C3=O)c1=O ZINC000004812012 571238006 /nfs/dbraw/zinc/23/80/06/571238006.db2.gz GJEUAYUDILNTRH-ZDUSSCGKSA-N -1 1 368.392 3.714 50 10 FHCAMM CCCn1cc(C=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)c2ccccc21 ZINC000002380110 571320799 /nfs/dbraw/zinc/32/07/99/571320799.db2.gz YRPIKDVRNUMDFY-XNTDXEJSSA-N -1 1 353.447 3.681 50 10 FHCAMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000013785583 220094430 /nfs/dbraw/zinc/09/44/30/220094430.db2.gz GPSRHKHRIATSMW-CHHVJCJISA-N -1 1 357.391 3.635 50 10 FHCAMM Cc1cccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1 ZINC000016182904 220180216 /nfs/dbraw/zinc/18/02/16/220180216.db2.gz OKCDPABLZUGZLX-ATVHPVEESA-N -1 1 371.483 3.942 50 10 FHCAMM O=C(Oc1cccc(/C=C2\SC(=S)[N-]C2=O)c1)c1ccc(F)cc1 ZINC000016247467 220181797 /nfs/dbraw/zinc/18/17/97/220181797.db2.gz GCUCMQXNZFEJFP-ZROIWOOFSA-N -1 1 359.403 3.534 50 10 FHCAMM O=C1N=C(N2CCCCC2)S/C1=C/c1ccc([O-])c(Br)c1 ZINC000048417507 221012557 /nfs/dbraw/zinc/01/25/57/221012557.db2.gz IAAOGNRMMJCWPL-UKTHLTGXSA-N -1 1 367.268 3.611 50 10 FHCAMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCc3ccccc3C2)c1[O-] ZINC000032932622 570872418 /nfs/dbraw/zinc/87/24/18/570872418.db2.gz ZRIQLCVOPVFRKB-UHFFFAOYSA-N -1 1 359.425 3.887 50 10 FHCAMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCc3ccccc3C2)c1[O-] ZINC000032932622 570872419 /nfs/dbraw/zinc/87/24/19/570872419.db2.gz ZRIQLCVOPVFRKB-UHFFFAOYSA-N -1 1 359.425 3.887 50 10 FHCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000000980533 219349094 /nfs/dbraw/zinc/34/90/94/219349094.db2.gz UJNKSQDMWJSNMU-OQLLNIDSSA-N -1 1 373.865 3.844 50 10 FHCAMM COc1cc(N2Cc3ccccc3C2)ccc1C=C1SC(=S)[N-]C1=O ZINC000015799335 220164785 /nfs/dbraw/zinc/16/47/85/220164785.db2.gz KZJQFTHPZHPSPK-IUXPMGMMSA-N -1 1 368.483 3.704 50 10 FHCAMM CC[C@H](C)N1C(=O)C(=Cc2cn(CC)c3ccccc23)C(=O)[N-]C1=S ZINC000016956476 220199170 /nfs/dbraw/zinc/19/91/70/220199170.db2.gz CHIGNHSKDFYBGF-XBUHWIKASA-N -1 1 355.463 3.927 50 10 FHCAMM C[C@H]1CN(Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C[C@H](C)O1 ZINC000019790394 220296096 /nfs/dbraw/zinc/29/60/96/220296096.db2.gz WFVKUPXLIMZXQM-GJZGRUSLSA-N -1 1 365.429 3.775 50 10 FHCAMM Cc1ccc(N2[N-]C(=O)/C(=C/C=C/c3ccccc3Cl)C2=O)cc1C ZINC000023634307 570542348 /nfs/dbraw/zinc/54/23/48/570542348.db2.gz LMVJXZPSAZVVRT-IURGNXBSSA-N -1 1 352.821 3.974 50 10 FHCAMM COc1ccc([C@@H]2CC(c3cc4c(C)cc(=O)oc4c(C)c3[O-])=NN2)cc1 ZINC000011865538 570597305 /nfs/dbraw/zinc/59/73/05/570597305.db2.gz XYVLKVDYYTXGPE-KRWDZBQOSA-N -1 1 364.401 3.563 50 10 FHCAMM COc1ccc([C@H]2CC(c3cc4c(C)cc(=O)oc4c(C)c3[O-])=NN2)cc1 ZINC000011865539 570597320 /nfs/dbraw/zinc/59/73/20/570597320.db2.gz XYVLKVDYYTXGPE-QGZVFWFLSA-N -1 1 364.401 3.563 50 10 FHCAMM CCCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000006204551 570643239 /nfs/dbraw/zinc/64/32/39/570643239.db2.gz AYXMMEYJUZMDEI-RGEXLXHISA-N -1 1 363.417 3.972 50 10 FHCAMM Cc1ccccc1OCCOc1ccccc1C=C1SC(=S)[N-]C1=O ZINC000004599987 571101929 /nfs/dbraw/zinc/10/19/29/571101929.db2.gz HWDORDRSEPJDDW-ATVHPVEESA-N -1 1 371.483 3.942 50 10 FHCAMM C[C@H](c1ccccc1)n1[n-]c2c(ccc3c2C(=O)c2ccccc2C3=O)c1=O ZINC000004812013 571237956 /nfs/dbraw/zinc/23/79/56/571237956.db2.gz GJEUAYUDILNTRH-CYBMUJFWSA-N -1 1 368.392 3.714 50 10 FHCAMM CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1 ZINC000016160761 220179603 /nfs/dbraw/zinc/17/96/03/220179603.db2.gz HZJFQUYVUNKPQD-YBEGLDIGSA-N -1 1 355.781 3.757 50 10 FHCAMM Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1 ZINC000016160761 220179606 /nfs/dbraw/zinc/17/96/06/220179606.db2.gz HZJFQUYVUNKPQD-YBEGLDIGSA-N -1 1 355.781 3.757 50 10 FHCAMM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN(C)C)c2=O)cc1OC ZINC000020412531 220325080 /nfs/dbraw/zinc/32/50/80/220325080.db2.gz FKFKLNLGHYSBHT-UHFFFAOYSA-N -1 1 369.417 3.553 50 10 FHCAMM CCCCC1(C)OC(=O)C(=Cc2ccc([O-])c(Br)c2)C(=O)O1 ZINC000058833948 221123756 /nfs/dbraw/zinc/12/37/56/221123756.db2.gz NUMNNYHQAWAFDE-UHFFFAOYSA-N -1 1 369.211 3.545 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012339364 570738318 /nfs/dbraw/zinc/73/83/18/570738318.db2.gz SIGWPJUKXAQMSQ-DHDCSXOGSA-N -1 1 372.427 3.663 50 10 FHCAMM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000004688415 571161587 /nfs/dbraw/zinc/16/15/87/571161587.db2.gz BIWZOEHUNPHYEK-KPKJPENVSA-N -1 1 350.205 3.581 50 10 FHCAMM COc1ccccc1Oc1c(C)oc2c(ccc([O-])c2CN(C)C)c1=O ZINC000020392468 220326140 /nfs/dbraw/zinc/32/61/40/220326140.db2.gz PIAPQFQJMRFACE-UHFFFAOYSA-N -1 1 355.390 3.670 50 10 FHCAMM Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000065552124 221232389 /nfs/dbraw/zinc/23/23/89/221232389.db2.gz AXJYABDGVMCSOV-VGOFMYFVSA-N -1 1 363.895 3.690 50 10 FHCAMM CCOc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(Cl)c1[O-] ZINC000096758952 222129156 /nfs/dbraw/zinc/12/91/56/222129156.db2.gz XOGUIBNJNVZQNQ-GXDHUFHOSA-N -1 1 366.870 3.901 50 10 FHCAMM Cc1ccccc1Nc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000089690663 525276695 /nfs/dbraw/zinc/27/66/95/525276695.db2.gz TUHSOCXFCWNWOD-UHFFFAOYSA-N -1 1 373.459 3.976 50 10 FHCAMM O=C1[N-]C(=S)S/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000002735759 570528845 /nfs/dbraw/zinc/52/88/45/570528845.db2.gz JQQAPUNZTKUGSM-XYOKQWHBSA-N -1 1 365.277 3.729 50 10 FHCAMM O=C(CSc1nccn1-c1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000026047791 571002508 /nfs/dbraw/zinc/00/25/08/571002508.db2.gz RFIXFFXFIRICNM-UHFFFAOYSA-N -1 1 360.822 3.912 50 10 FHCAMM CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)cc1 ZINC000001206737 219388262 /nfs/dbraw/zinc/38/82/62/219388262.db2.gz SBRHXUZVAYQNAS-MHWRWJLKSA-N -1 1 370.430 3.595 50 10 FHCAMM O=C(c1coc2ccc([O-])c(CN3CCOCC3)c12)c1ccc(Cl)cc1 ZINC000022027874 220374061 /nfs/dbraw/zinc/37/40/61/220374061.db2.gz AZTJMOHRJNVRGH-UHFFFAOYSA-N -1 1 371.820 3.855 50 10 FHCAMM CC[C@@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Cl ZINC000033747982 570581131 /nfs/dbraw/zinc/58/11/31/570581131.db2.gz YUWIAYDPDLGEEI-MDXIRLPMSA-N -1 1 352.843 3.614 50 10 FHCAMM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1 ZINC000012412813 570743363 /nfs/dbraw/zinc/74/33/63/570743363.db2.gz VJVOMXQASOAITR-YBEGLDIGSA-N -1 1 355.781 3.757 50 10 FHCAMM Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1 ZINC000012412813 570743365 /nfs/dbraw/zinc/74/33/65/570743365.db2.gz VJVOMXQASOAITR-YBEGLDIGSA-N -1 1 355.781 3.757 50 10 FHCAMM Cc1ccc(N2[N-]C(=O)/C(=C/C=C\c3ccccc3Cl)C2=O)cc1C ZINC000004460724 570792508 /nfs/dbraw/zinc/79/25/08/570792508.db2.gz LMVJXZPSAZVVRT-MKXJLCOVSA-N -1 1 352.821 3.974 50 10 FHCAMM Cc1nn(-c2ccccc2Cl)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000098053765 934790810 /nfs/dbraw/zinc/79/08/10/934790810.db2.gz SRSYHNDZQQHMCS-IZZDOVSWSA-N -1 1 370.286 3.976 50 10 FHCAMM CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c(CN(C)C)c1[O-] ZINC000000940984 219344035 /nfs/dbraw/zinc/34/40/35/219344035.db2.gz GYQXMQJFFWCMNS-UHFFFAOYSA-N -1 1 367.401 3.518 50 10 biogenic FHCAMM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000016678471 220191472 /nfs/dbraw/zinc/19/14/72/220191472.db2.gz AMSIUXRHMSYVCI-ZHZULCJRSA-N -1 1 363.461 3.611 50 10 FHCAMM Cc1ccc(N2[N-]C(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000019419169 220254693 /nfs/dbraw/zinc/25/46/93/220254693.db2.gz DLTIOKVVGIKBEJ-NVNXTCNLSA-N -1 1 351.793 3.591 50 10 FHCAMM Cc1ccc(C2(O)CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)nc1 ZINC000067774825 221284013 /nfs/dbraw/zinc/28/40/13/221284013.db2.gz QLBQQHHHLCIZRL-UHFFFAOYSA-N -1 1 367.276 3.886 50 10 FHCAMM