smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)cc1 ZINC000001154831 194052479 /nfs/dbraw/zinc/05/24/79/194052479.db2.gz QDCJDYWGYVPBDO-UHFFFAOYSA-N -1 1 471.534 5.881 50 10 JKCAMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)cc1 ZINC000001221204 194074154 /nfs/dbraw/zinc/07/41/54/194074154.db2.gz VGXZROWGKNVLCO-UHFFFAOYSA-N -1 1 455.535 6.180 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000001421580 194118025 /nfs/dbraw/zinc/11/80/25/194118025.db2.gz ASKCDWMQIMCGSI-WGOQTCKBSA-N -1 1 488.613 5.440 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000001913295 194155231 /nfs/dbraw/zinc/15/52/31/194155231.db2.gz HVSORPOVHSOBFS-UHFFFAOYSA-N -1 1 483.486 6.215 50 10 JKCAMM O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1ccc(Cl)cc1 ZINC000002954982 194179200 /nfs/dbraw/zinc/17/92/00/194179200.db2.gz WZRCXOWCZXJNNM-UHFFFAOYSA-N -1 1 475.953 6.525 50 10 JKCAMM CCCc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1 ZINC000003287690 194265512 /nfs/dbraw/zinc/26/55/12/194265512.db2.gz KDKDKCCMNVXHIT-UHFFFAOYSA-N -1 1 450.391 5.412 50 10 JKCAMM O=S(=O)([N-]c1cc(Sc2cccc3cccnc32)c(O)c2ccccc12)c1ccc(Cl)cc1 ZINC000003656754 194353430 /nfs/dbraw/zinc/35/34/30/194353430.db2.gz IBNDEPGJQYIEJX-UHFFFAOYSA-N -1 1 493.009 6.699 50 10 JKCAMM CCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1[O-] ZINC000009086165 520139040 /nfs/dbraw/zinc/13/90/40/520139040.db2.gz RRFMEYKFLDZRKN-UHFFFAOYSA-N -1 1 481.232 6.459 50 10 JKCAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000016160756 520895423 /nfs/dbraw/zinc/89/54/23/520895423.db2.gz PZUXYYMYFRFCRU-XYGWBWBKSA-N -1 1 489.019 5.757 50 10 JKCAMM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)NC2=S)cc1 ZINC000033343626 523962375 /nfs/dbraw/zinc/96/23/75/523962375.db2.gz IDVZGNZXPWMXMJ-HMAPJEAMSA-N -1 1 473.554 5.026 50 10 JKCAMM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000015012294 526357828 /nfs/dbraw/zinc/35/78/28/526357828.db2.gz RFKVTUQDNZYYHP-BOPFTXTBSA-N -1 1 497.326 5.079 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000016701179 527056981 /nfs/dbraw/zinc/05/69/81/527056981.db2.gz CPDYRWOFQKOCDQ-UCQKPKSFSA-N -1 1 487.581 5.746 50 10 JKCAMM O=S(=O)([N-]c1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccc(F)cc1 ZINC000000940623 553876380 /nfs/dbraw/zinc/87/63/80/553876380.db2.gz HYCYPBNLEBQUOV-UHFFFAOYSA-N -1 1 482.583 6.246 50 10 JKCAMM CCOc1ccc(-n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc2-c2cccc(C)c2)cc1 ZINC000001263497 553938105 /nfs/dbraw/zinc/93/81/05/553938105.db2.gz XNZLTMRVGYHIPD-UHFFFAOYSA-N -1 1 461.543 5.028 50 10 JKCAMM CCOC(=O)c1ccc(NCc2c3c(cc(I)c2[O-])oc2c3CCCC2)cc1 ZINC000002157744 554073438 /nfs/dbraw/zinc/07/34/38/554073438.db2.gz HGCKDDKOKBQWTC-UHFFFAOYSA-N -1 1 491.325 5.411 50 10 JKCAMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000002180189 554079417 /nfs/dbraw/zinc/07/94/17/554079417.db2.gz RNQMYWRJMCETSB-JJIBRWJFSA-N -1 1 471.944 5.225 50 10 JKCAMM COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002269971 554126483 /nfs/dbraw/zinc/12/64/83/554126483.db2.gz SQRVYQAWBZXHPY-BCGDRIGESA-N -1 1 487.602 5.671 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 ZINC000002368719 554169126 /nfs/dbraw/zinc/16/91/26/554169126.db2.gz DNMWTOPCLMLAKC-UCQKPKSFSA-N -1 1 487.581 5.746 50 10 JKCAMM O=C1[N-]C(=S)N(C2CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002396620 554183168 /nfs/dbraw/zinc/18/31/68/554183168.db2.gz KEXOODWMQITNLF-RCCKNPSSSA-N -1 1 480.033 5.702 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 ZINC000002415435 554194788 /nfs/dbraw/zinc/19/47/88/554194788.db2.gz CQYOXKGMSGCNJK-HAHDFKILSA-N -1 1 469.591 5.607 50 10 JKCAMM Cc1cc(C(=O)CC(=C([O-])c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccc(C)cc1 ZINC000002616059 554240998 /nfs/dbraw/zinc/24/09/98/554240998.db2.gz BXJZIACKAMLYBN-VWLOTQADSA-N -1 1 478.617 7.252 50 10 JKCAMM COc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)c3ccccc3c2O)cc1 ZINC000002856069 554382800 /nfs/dbraw/zinc/38/28/00/554382800.db2.gz ACTITQUTNZSZEG-UHFFFAOYSA-N -1 1 467.568 5.515 50 10 JKCAMM CCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)cc1 ZINC000008431978 554585059 /nfs/dbraw/zinc/58/50/59/554585059.db2.gz RDXQSBAQKSWFNN-GDNBJRDFSA-N -1 1 452.725 5.542 50 10 JKCAMM CCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl ZINC000008440475 554591200 /nfs/dbraw/zinc/59/12/00/554591200.db2.gz IVGVZJCVCZAJNM-NTEUORMPSA-N -1 1 487.170 6.195 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000008993755 554854104 /nfs/dbraw/zinc/85/41/04/554854104.db2.gz VBZLBRKRJURYMH-JCMHNJIXSA-N -1 1 467.637 5.898 50 10 JKCAMM CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000009296557 555073308 /nfs/dbraw/zinc/07/33/08/555073308.db2.gz IUWJUGVRSTYHEW-GNUZOCDUSA-N -1 1 478.035 5.809 50 10 JKCAMM CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000009296558 555073378 /nfs/dbraw/zinc/07/33/78/555073378.db2.gz IUWJUGVRSTYHEW-ZXOFLVKFSA-N -1 1 478.035 5.809 50 10 JKCAMM Cc1ccccc1OCCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000009762845 555488025 /nfs/dbraw/zinc/48/80/25/555488025.db2.gz DZKBVKFPXAUCTK-BOPFTXTBSA-N -1 1 454.400 5.639 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616706 555536889 /nfs/dbraw/zinc/53/68/89/555536889.db2.gz KQPJDMCPQOMDIQ-JXFKEZNVSA-N -1 1 461.768 6.112 50 10 JKCAMM CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000013940034 555649915 /nfs/dbraw/zinc/64/99/15/555649915.db2.gz XTIHNLAVUFYXSG-DABDWFRDSA-N -1 1 492.460 5.909 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1ccc(C)cc1C ZINC000013940363 555650874 /nfs/dbraw/zinc/65/08/74/555650874.db2.gz JILQGZJKBHRBLN-WQRHYEAKSA-N -1 1 494.432 5.021 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccccc1[C@H](C)CC ZINC000013943861 555655045 /nfs/dbraw/zinc/65/50/45/555655045.db2.gz WBYJDUSFZMVPCC-XWCAUFEOSA-N -1 1 492.062 6.199 50 10 JKCAMM Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)c(C)c1 ZINC000015800210 556008436 /nfs/dbraw/zinc/00/84/36/556008436.db2.gz JLEFJGGOKIXIDX-MFOYZWKCSA-N -1 1 454.400 5.557 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000015800262 556008708 /nfs/dbraw/zinc/00/87/08/556008708.db2.gz JHTRMRCULMSYKO-UNOMPAQXSA-N -1 1 464.008 5.302 50 10 JKCAMM Cc1ccc(C)c(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000015800454 556008716 /nfs/dbraw/zinc/00/87/16/556008716.db2.gz IQSFYYLHWZSGMH-WQRHYEAKSA-N -1 1 464.406 5.013 50 10 JKCAMM CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(Cl)cc1)N1CCOCC1)c([O-])c1ccccc21 ZINC000024102781 556121657 /nfs/dbraw/zinc/12/16/57/556121657.db2.gz KGVORNGMQAKFHL-XMMPIXPASA-N -1 1 479.960 5.852 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025576395 556222877 /nfs/dbraw/zinc/22/28/77/556222877.db2.gz DKOXKNWDFOGJHH-DENIHFKCSA-N -1 1 490.184 6.704 50 10 JKCAMM [O-]c1ccc(Br)cc1-c1nc2ccccc2nc1-c1cc(Br)ccc1O ZINC000025694338 556230493 /nfs/dbraw/zinc/23/04/93/556230493.db2.gz XHUMHUHQRWBOEY-UHFFFAOYSA-N -1 1 472.136 5.900 50 10 JKCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000017251739 556248324 /nfs/dbraw/zinc/24/83/24/556248324.db2.gz YUOKVSNAVXPMKU-JCMHNJIXSA-N -1 1 451.567 5.591 50 10 JKCAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000027527670 556289338 /nfs/dbraw/zinc/28/93/38/556289338.db2.gz NAGQPFSBFSLRIW-ZDLGFXPLSA-N -1 1 452.517 5.519 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc21 ZINC000019793051 556372296 /nfs/dbraw/zinc/37/22/96/556372296.db2.gz AWTZRHOZASRJPY-UHFFFAOYSA-N -1 1 483.486 6.640 50 10 JKCAMM Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2C(F)(F)F)c1 ZINC000019793133 556372690 /nfs/dbraw/zinc/37/26/90/556372690.db2.gz UEEFFHNBVYNBKL-UHFFFAOYSA-N -1 1 483.486 6.559 50 10 JKCAMM CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(CN(C)Cc3ccccc3)c2oc1C(F)(F)F ZINC000019793186 556373090 /nfs/dbraw/zinc/37/30/90/556373090.db2.gz LHUPCFFLUCJBCV-UHFFFAOYSA-N -1 1 499.485 6.340 50 10 JKCAMM CN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000008722175 569598826 /nfs/dbraw/zinc/59/88/26/569598826.db2.gz CQMNJIFLLHGOOT-QJOMJCCJSA-N -1 1 463.562 5.068 50 10 JKCAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000095471602 569723534 /nfs/dbraw/zinc/72/35/34/569723534.db2.gz INZZDOHJOSRKTA-IWIPYMOSSA-N -1 1 495.004 5.476 50 10 JKCAMM O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@@H](c2ccc(Cl)cc2Cl)CC(=O)O1 ZINC000096114864 569733813 /nfs/dbraw/zinc/73/38/13/569733813.db2.gz UOPSCSVSQQJKGS-CQSZACIVSA-N -1 1 469.276 5.619 50 10 biogenic JKCAMM O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@H](c2ccc(Cl)cc2Cl)CC(=O)O1 ZINC000096114863 569733827 /nfs/dbraw/zinc/73/38/27/569733827.db2.gz UOPSCSVSQQJKGS-AWEZNQCLSA-N -1 1 469.276 5.619 50 10 biogenic JKCAMM COC(=O)c1cc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl ZINC000097944359 569746704 /nfs/dbraw/zinc/74/67/04/569746704.db2.gz OPWSTUPNEPNFIS-JYRVWZFOSA-N -1 1 473.143 5.805 50 10 JKCAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000100148829 569754063 /nfs/dbraw/zinc/75/40/63/569754063.db2.gz PZUXYYMYFRFCRU-PCLIKHOPSA-N -1 1 489.019 5.757 50 10 JKCAMM CCCCCSc1nnc(-c2ccccc2NC=C2C(C)=NN(c3ccccc3)C2=O)c(=O)[n-]1 ZINC000100174773 569754786 /nfs/dbraw/zinc/75/47/86/569754786.db2.gz PLGOPPKFKPNZHD-SILNSSARSA-N -1 1 474.590 5.245 50 10 JKCAMM CCCCCSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[n-]1 ZINC000100174773 569754788 /nfs/dbraw/zinc/75/47/88/569754788.db2.gz PLGOPPKFKPNZHD-SILNSSARSA-N -1 1 474.590 5.245 50 10 JKCAMM COc1cc([N+](=O)[O-])cc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000036347394 569771036 /nfs/dbraw/zinc/77/10/36/569771036.db2.gz NKTSASJPVPZTIB-NRFANRHFSA-N -1 1 461.440 5.125 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000248187583 570076128 /nfs/dbraw/zinc/07/61/28/570076128.db2.gz IYUSUDFJUNFIKI-OFNKIYASSA-N -1 1 485.765 6.059 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1 ZINC000248257873 570076935 /nfs/dbraw/zinc/07/69/35/570076935.db2.gz UIYHQXLOTCBVOF-REWPJTCUSA-N -1 1 485.765 6.059 50 10 JKCAMM COc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Br)c3)SC2=S)cc1Cl ZINC000001136240 194042208 /nfs/dbraw/zinc/04/22/08/194042208.db2.gz CQSGFKYGFZSPOE-CHHVJCJISA-N -1 1 456.770 5.223 50 10 JKCAMM Cc1cccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)n2-c2ccc(Cl)cc2)c1 ZINC000001279510 194081294 /nfs/dbraw/zinc/08/12/94/194081294.db2.gz DXSWZBVBGIEOHE-UHFFFAOYSA-N -1 1 451.935 5.282 50 10 JKCAMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002969959 194187560 /nfs/dbraw/zinc/18/75/60/194187560.db2.gz HDZQBEXQSWPGFG-UDWIEESQSA-N -1 1 451.529 5.477 50 10 JKCAMM Cc1ccc(-n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002596377 525901544 /nfs/dbraw/zinc/90/15/44/525901544.db2.gz PNVBTIVMIKZZBY-UHFFFAOYSA-N -1 1 451.935 5.282 50 10 JKCAMM Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000033510628 526090534 /nfs/dbraw/zinc/09/05/34/526090534.db2.gz ZFRGXPPHYMIPQO-UNOMPAQXSA-N -1 1 493.972 5.426 50 10 JKCAMM O=C([O-])c1cccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000033286225 526385602 /nfs/dbraw/zinc/38/56/02/526385602.db2.gz DXBOJNWFAVVHEN-GZTJUZNOSA-N -1 1 497.326 5.079 50 10 JKCAMM COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000000658502 553737717 /nfs/dbraw/zinc/73/77/17/553737717.db2.gz PPLGCCHOKBFWOM-WLRTZDKTSA-N -1 1 485.776 5.331 50 10 JKCAMM Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000000805286 553784475 /nfs/dbraw/zinc/78/44/75/553784475.db2.gz UMVZWFIBPGBYGC-UHFFFAOYSA-N -1 1 463.562 5.874 50 10 JKCAMM Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000000805286 553784478 /nfs/dbraw/zinc/78/44/78/553784478.db2.gz UMVZWFIBPGBYGC-UHFFFAOYSA-N -1 1 463.562 5.874 50 10 JKCAMM Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000000805286 553784481 /nfs/dbraw/zinc/78/44/81/553784481.db2.gz UMVZWFIBPGBYGC-UHFFFAOYSA-N -1 1 463.562 5.874 50 10 JKCAMM Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c([O-])c(S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000000948873 553880227 /nfs/dbraw/zinc/88/02/27/553880227.db2.gz WQHABDDTZWXXMA-UHFFFAOYSA-N -1 1 473.616 5.074 50 10 JKCAMM CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000001840375 553994819 /nfs/dbraw/zinc/99/48/19/553994819.db2.gz WRTZBOSXACPQKM-MOSHPQCFSA-N -1 1 470.019 6.272 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000001913281 554003193 /nfs/dbraw/zinc/00/31/93/554003193.db2.gz SFTCFNRPXSLFSB-UHFFFAOYSA-N -1 1 454.353 6.495 50 10 JKCAMM [O-]c1c(I)cc2oc3c(c2c1CNc1ccc(Br)cc1)CCCC3 ZINC000002060033 554016401 /nfs/dbraw/zinc/01/64/01/554016401.db2.gz SIYJXLLAHMYUIK-UHFFFAOYSA-N -1 1 498.158 5.996 50 10 JKCAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002269813 554126516 /nfs/dbraw/zinc/12/65/16/554126516.db2.gz PHAYKRVRSAYQGZ-CRYHJCRISA-N -1 1 489.593 6.192 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 ZINC000002427550 554202321 /nfs/dbraw/zinc/20/23/21/554202321.db2.gz DWUUPBQFTVPHMP-UCQKPKSFSA-N -1 1 487.581 5.746 50 10 JKCAMM O=S(=O)([N-]c1cc(Sc2cccc3cccnc32)c(O)c2ccccc12)c1ccc(F)cc1 ZINC000002685365 554282748 /nfs/dbraw/zinc/28/27/48/554282748.db2.gz HLVJWPTZQDKJQP-UHFFFAOYSA-N -1 1 476.554 6.185 50 10 aggregator JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000002856632 554383136 /nfs/dbraw/zinc/38/31/36/554383136.db2.gz BYAPMMVWPWLXAS-LZYBPNLTSA-N -1 1 474.818 6.113 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006065429 554500928 /nfs/dbraw/zinc/50/09/28/554500928.db2.gz YWFDIVHUPYKBDE-HZHRSRAPSA-N -1 1 495.004 5.476 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006065442 554501327 /nfs/dbraw/zinc/50/13/27/554501327.db2.gz TWEVKQQOYPVUFN-PCLIKHOPSA-N -1 1 488.613 5.440 50 10 JKCAMM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc(C)c(C)cc1Br ZINC000008437856 554588787 /nfs/dbraw/zinc/58/87/87/554588787.db2.gz IEXGTDUXMYFASR-YBEGLDIGSA-N -1 1 477.200 5.855 50 10 JKCAMM O=C([O-])c1cc(Br)ccc1-c1ccc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)o1 ZINC000008443229 554592970 /nfs/dbraw/zinc/59/29/70/554592970.db2.gz FONKCJDBXRHRGS-YVLHZVERSA-N -1 1 487.693 5.362 50 10 JKCAMM O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000008445455 554594845 /nfs/dbraw/zinc/59/48/45/554594845.db2.gz CRSZQINWTRBXRQ-ADGFTTEDSA-N -1 1 476.022 6.556 50 10 JKCAMM CCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1[O-] ZINC000008741434 554643713 /nfs/dbraw/zinc/64/37/13/554643713.db2.gz OZJAUUPRVXXWKL-UHFFFAOYSA-N -1 1 467.205 6.069 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008809362 554688028 /nfs/dbraw/zinc/68/80/28/554688028.db2.gz RAKDZEAXRLIBMZ-SIKLNZKXSA-N -1 1 455.739 6.050 50 10 JKCAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1 ZINC000008859956 554756361 /nfs/dbraw/zinc/75/63/61/554756361.db2.gz MMLXVXAUESSNDC-UHFFFAOYSA-N -1 1 473.557 5.171 50 10 JKCAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)cc1 ZINC000008871907 554767860 /nfs/dbraw/zinc/76/78/60/554767860.db2.gz GLTNLWSFAVALCC-UHFFFAOYSA-N -1 1 497.616 7.170 50 10 JKCAMM CC[C@@H](C)c1ccccc1OCCOc1c(Cl)cc(Cl)cc1C=C1SC(=S)[N-]C1=O ZINC000009144519 554936172 /nfs/dbraw/zinc/93/61/72/554936172.db2.gz PRILKHFSIKOYED-LPXFMOJISA-N -1 1 482.454 6.454 50 10 JKCAMM CCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3[O-])C2=O)cc1 ZINC000009262076 555036900 /nfs/dbraw/zinc/03/69/00/555036900.db2.gz FSRSWBWNOOSRSL-AQTBWJFISA-N -1 1 452.337 6.569 50 10 JKCAMM C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)[N-]C1=S ZINC000009309386 555084127 /nfs/dbraw/zinc/08/41/27/555084127.db2.gz YSMOPCJPWLLYGP-JWGRYVKWSA-N -1 1 465.578 5.078 50 10 JKCAMM O=C(CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)c1ccc([O-])c(O)c1 ZINC000013139099 555336149 /nfs/dbraw/zinc/33/61/49/555336149.db2.gz UKWZUQSEIIEGEK-UHFFFAOYSA-N -1 1 473.598 5.914 50 10 JKCAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000013633055 555543152 /nfs/dbraw/zinc/54/31/52/555543152.db2.gz ZIHVWNFQRPSWJN-HZRUTDPJSA-N -1 1 485.630 6.361 50 10 JKCAMM O=C(CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1)c1ccc([O-])c(O)c1 ZINC000009980268 555581047 /nfs/dbraw/zinc/58/10/47/555581047.db2.gz UMCDBDSLLVHEPS-UHFFFAOYSA-N -1 1 489.940 5.991 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1ccc(Cl)cc1 ZINC000013940638 555651568 /nfs/dbraw/zinc/65/15/68/555651568.db2.gz INYFLLIEGIDBJZ-LDADJPATSA-N -1 1 484.426 5.729 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccccc1[C@@H](C)CC ZINC000013943859 555655093 /nfs/dbraw/zinc/65/50/93/555655093.db2.gz WBYJDUSFZMVPCC-JTMDUIFQSA-N -1 1 492.062 6.199 50 10 JKCAMM Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)NC1=S ZINC000020130502 555655780 /nfs/dbraw/zinc/65/57/80/555655780.db2.gz NMAYLTHNKAJSAM-GZTJUZNOSA-N -1 1 480.929 5.587 50 10 JKCAMM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000015013570 555855403 /nfs/dbraw/zinc/85/54/03/555855403.db2.gz UDZLOHSTKQOKOE-WJDWOHSUSA-N -1 1 466.902 5.278 50 10 JKCAMM Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000015800450 556008759 /nfs/dbraw/zinc/00/87/59/556008759.db2.gz BHNQRMRMWLVSGP-MFOYZWKCSA-N -1 1 454.400 5.557 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000015800572 556009081 /nfs/dbraw/zinc/00/90/81/556009081.db2.gz VDJNDBNDGARYSN-GRVPHDJPSA-N -1 1 457.617 5.545 50 10 JKCAMM CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1Cl)N1CCOCC1)c([O-])c1ccccc21 ZINC000023224626 556032180 /nfs/dbraw/zinc/03/21/80/556032180.db2.gz FYLSIXQOIAVQKT-XMMPIXPASA-N -1 1 479.960 5.852 50 10 JKCAMM CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(Cl)cc1)N1CCOCC1)c([O-])c1ccccc21 ZINC000024102778 556121605 /nfs/dbraw/zinc/12/16/05/556121605.db2.gz KGVORNGMQAKFHL-DEOSSOPVSA-N -1 1 479.960 5.852 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025576390 556222860 /nfs/dbraw/zinc/22/28/60/556222860.db2.gz DKOXKNWDFOGJHH-KNQAVFIVSA-N -1 1 490.184 6.704 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577254 556223490 /nfs/dbraw/zinc/22/34/90/556223490.db2.gz JJBMMVFNUIDPEW-ZEQKJWHPSA-N -1 1 461.348 7.095 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1 ZINC000025577649 556223748 /nfs/dbraw/zinc/22/37/48/556223748.db2.gz UIYHQXLOTCBVOF-NZQKXSOJSA-N -1 1 485.765 6.059 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025579401 556224958 /nfs/dbraw/zinc/22/49/58/556224958.db2.gz GJJCJUAAIXWKPV-KNQAVFIVSA-N -1 1 490.184 6.704 50 10 JKCAMM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(F)c4)C3=O)o2)cc1Cl ZINC000017198257 556239190 /nfs/dbraw/zinc/23/91/90/556239190.db2.gz NFFKVHGPTWBMKQ-YBEGLDIGSA-N -1 1 470.865 5.109 50 10 JKCAMM Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000019792877 556371492 /nfs/dbraw/zinc/37/14/92/556371492.db2.gz YBEOYEQXGOOEPV-UHFFFAOYSA-N -1 1 469.459 6.250 50 10 JKCAMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000035354348 569681869 /nfs/dbraw/zinc/68/18/69/569681869.db2.gz ZVWNMHXVFZPFQG-QJMRKGMQSA-N -1 1 466.990 5.976 50 10 JKCAMM CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096114023 569733045 /nfs/dbraw/zinc/73/30/45/569733045.db2.gz PRSMVNCLGBKJCN-QGZVFWFLSA-N -1 1 458.466 5.099 50 10 biogenic JKCAMM CC(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114576 569733669 /nfs/dbraw/zinc/73/36/69/569733669.db2.gz XEWBRUCWQHDOKF-QGZVFWFLSA-N -1 1 488.492 5.053 50 10 biogenic JKCAMM O=C([O-])c1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000096114911 569734050 /nfs/dbraw/zinc/73/40/50/569734050.db2.gz RAYOUQAYAMADBQ-UHFFFAOYSA-N -1 1 473.485 5.296 50 10 biogenic JKCAMM COc1cccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OC(C)C ZINC000096115079 569734086 /nfs/dbraw/zinc/73/40/86/569734086.db2.gz FUGUXEPADIKDCN-QGZVFWFLSA-N -1 1 488.492 5.108 50 10 biogenic JKCAMM CCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)cc1 ZINC000100217754 569755734 /nfs/dbraw/zinc/75/57/34/569755734.db2.gz RDXQSBAQKSWFNN-XNTDXEJSSA-N -1 1 452.725 5.542 50 10 JKCAMM Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000100702298 569767177 /nfs/dbraw/zinc/76/71/77/569767177.db2.gz AOXNHDAMKHFIOZ-OFNKIYASSA-N -1 1 459.760 6.903 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2[O-])cc1 ZINC000245333722 570066914 /nfs/dbraw/zinc/06/69/14/570066914.db2.gz ADTALBIGUNGUOD-OFNKIYASSA-N -1 1 451.320 5.406 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2[O-])cc1 ZINC000245333724 570067015 /nfs/dbraw/zinc/06/70/15/570067015.db2.gz ADTALBIGUNGUOD-REWPJTCUSA-N -1 1 451.320 5.406 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000248252427 570076867 /nfs/dbraw/zinc/07/68/67/570076867.db2.gz QFYPFYUAEGVVAS-REWPJTCUSA-N -1 1 475.759 6.603 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000001197916 194067732 /nfs/dbraw/zinc/06/77/32/194067732.db2.gz OHUWLSBBLYMGTM-SXGWCWSVSA-N -1 1 468.369 5.055 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000001913287 194155218 /nfs/dbraw/zinc/15/52/18/194155218.db2.gz GDEXOCBVYFUQOG-UHFFFAOYSA-N -1 1 487.905 6.860 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000002966797 194184405 /nfs/dbraw/zinc/18/44/05/194184405.db2.gz BKWVMGATKHYDOJ-GIDUJCDVSA-N -1 1 460.791 5.723 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1cccc(C)c1 ZINC000002844136 520627313 /nfs/dbraw/zinc/62/73/13/520627313.db2.gz KCPBTAIRPFWEJY-CPNJWEJPSA-N -1 1 464.008 5.384 50 10 JKCAMM CN(C)c1ccc(/C=C/c2nc([N-]c3nc4ccccc4o3)nc(-c3ccccc3O)n2)cc1 ZINC000009668972 522132251 /nfs/dbraw/zinc/13/22/51/522132251.db2.gz HGZJYGMMWHYTRZ-DTQAZKPQSA-N -1 1 450.502 5.365 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000015684903 527056908 /nfs/dbraw/zinc/05/69/08/527056908.db2.gz VRXOTPCTGWTRDB-KQWNVCNZSA-N -1 1 473.022 6.954 50 10 JKCAMM O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cccc2ccccc21 ZINC000000950309 553880788 /nfs/dbraw/zinc/88/07/88/553880788.db2.gz IPPOOQHKZOXIIR-UHFFFAOYSA-N -1 1 464.593 6.107 50 10 JKCAMM COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002269973 554126509 /nfs/dbraw/zinc/12/65/09/554126509.db2.gz SQRVYQAWBZXHPY-CRYHJCRISA-N -1 1 487.602 5.671 50 10 JKCAMM COc1cccc(C=C2SC(=S)[N-]C2=O)c1OCCCOc1cc(C)ccc1C(C)C ZINC000002878425 554400243 /nfs/dbraw/zinc/40/02/43/554400243.db2.gz MVZJCLPWBBUSIR-KGENOOAVSA-N -1 1 457.617 5.464 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006198462 554519526 /nfs/dbraw/zinc/51/95/26/554519526.db2.gz KZGXJRKJTIIQSR-BUVRLJJBSA-N -1 1 495.004 5.476 50 10 JKCAMM Cc1cccc(N=Nc2c([O-])n(-c3ccc4ccccc4c3)c(=S)n(-c3ccccc3)c2=O)c1 ZINC000008437601 554588383 /nfs/dbraw/zinc/58/83/83/554588383.db2.gz OWMOWNDDRGMWDI-RVGLIBJPSA-N -1 1 464.550 5.965 50 10 JKCAMM COC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(Br)c(C)c3C)c2=O)ccc1Cl ZINC000008437830 554588680 /nfs/dbraw/zinc/58/86/80/554588680.db2.gz IDXNTSZOJSSYKB-YBEGLDIGSA-N -1 1 476.758 5.224 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000008439907 554590796 /nfs/dbraw/zinc/59/07/96/554590796.db2.gz AIUAWDOZDBKOTF-OXQOHEQNSA-N -1 1 461.768 6.112 50 10 JKCAMM Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2O)cc1 ZINC000008974173 554845598 /nfs/dbraw/zinc/84/55/98/554845598.db2.gz DRAKQXYVTUXDED-UHFFFAOYSA-N -1 1 455.988 6.459 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1ccccc1Cl ZINC000008993714 554853930 /nfs/dbraw/zinc/85/39/30/554853930.db2.gz VKYBDMFAJWMHRP-LDADJPATSA-N -1 1 484.426 5.729 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000009144533 554936166 /nfs/dbraw/zinc/93/61/66/554936166.db2.gz HSNSIYSVOFFHTO-WQRHYEAKSA-N -1 1 484.426 5.647 50 10 JKCAMM COC(=O)Cc1c(C)c2cc(CNc3ccc(Oc4ccccc4)cc3)c([O-])c(C)c2oc1=O ZINC000009423321 555188051 /nfs/dbraw/zinc/18/80/51/555188051.db2.gz UHLPMKIWXWTDHX-UHFFFAOYSA-N -1 1 459.498 5.235 50 10 JKCAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000013633049 555543134 /nfs/dbraw/zinc/54/31/34/555543134.db2.gz DMRGHHCDPKFISP-HDMRQQGGSA-N -1 1 471.603 6.053 50 10 JKCAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000013633052 555543217 /nfs/dbraw/zinc/54/32/17/555543217.db2.gz ZIHVWNFQRPSWJN-NHOMFQCRSA-N -1 1 485.630 6.361 50 10 JKCAMM O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000013765766 555613121 /nfs/dbraw/zinc/61/31/21/555613121.db2.gz MHPDZSAEFHPYSC-ULJHMMPZSA-N -1 1 469.610 6.047 50 10 JKCAMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000013895799 555643194 /nfs/dbraw/zinc/64/31/94/555643194.db2.gz LAZVTSOCTNZBRV-MOSHPQCFSA-N -1 1 462.336 5.458 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000013897233 555644473 /nfs/dbraw/zinc/64/44/73/555644473.db2.gz ZROYUCKKPDOCQX-QNGOZBTKSA-N -1 1 457.617 5.329 50 10 JKCAMM CC(C)(c1ccccc1)c1ccc(OCCOc2ccccc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000013940906 555652066 /nfs/dbraw/zinc/65/20/66/555652066.db2.gz HHERJUZOZCXSHU-MOHJPFBDSA-N -1 1 475.635 5.959 50 10 JKCAMM Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000020146282 555664656 /nfs/dbraw/zinc/66/46/56/555664656.db2.gz QFSJAMUAFAQLGX-BKUYFWCQSA-N -1 1 473.554 5.081 50 10 JKCAMM O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000015109106 555878302 /nfs/dbraw/zinc/87/83/02/555878302.db2.gz CLFXGRSHWNSVSI-UHFFFAOYSA-N -1 1 486.380 5.686 50 10 JKCAMM Cc1cccc(C)c1OCCOc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000022228900 555887563 /nfs/dbraw/zinc/88/75/63/555887563.db2.gz GFLJPTDZNFLGOA-BOPFTXTBSA-N -1 1 464.406 5.013 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000015800590 556009053 /nfs/dbraw/zinc/00/90/53/556009053.db2.gz TZWWOZWUQZMTKZ-BOPFTXTBSA-N -1 1 470.399 5.339 50 10 JKCAMM Cc1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)c(C)c1 ZINC000015800695 556009068 /nfs/dbraw/zinc/00/90/68/556009068.db2.gz FUCBNCKKZSVRKJ-WQRHYEAKSA-N -1 1 464.406 5.013 50 10 JKCAMM CC(C)(c1ccccc1)c1ccc(OCCOc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1 ZINC000015856505 556024639 /nfs/dbraw/zinc/02/46/39/556024639.db2.gz XENMAMBTLPBCBS-MOHJPFBDSA-N -1 1 475.635 5.959 50 10 JKCAMM Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000025558617 556220581 /nfs/dbraw/zinc/22/05/81/556220581.db2.gz AOXNHDAMKHFIOZ-NZQKXSOJSA-N -1 1 459.760 6.903 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025576385 556222853 /nfs/dbraw/zinc/22/28/53/556222853.db2.gz DKOXKNWDFOGJHH-SIKLNZKXSA-N -1 1 490.184 6.704 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577248 556223405 /nfs/dbraw/zinc/22/34/05/556223405.db2.gz JJBMMVFNUIDPEW-BVAGGSTKSA-N -1 1 461.348 7.095 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000025577687 556224045 /nfs/dbraw/zinc/22/40/45/556224045.db2.gz QFYPFYUAEGVVAS-NFBKMPQASA-N -1 1 475.759 6.603 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025579406 556224968 /nfs/dbraw/zinc/22/49/68/556224968.db2.gz GJJCJUAAIXWKPV-DENIHFKCSA-N -1 1 490.184 6.704 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025901666 556238430 /nfs/dbraw/zinc/23/84/30/556238430.db2.gz SMXFFUBYUKAKJJ-OZXSUGGESA-N -1 1 471.354 6.550 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000017729431 556264805 /nfs/dbraw/zinc/26/48/05/556264805.db2.gz RAKDZEAXRLIBMZ-UGKGYDQZSA-N -1 1 455.739 6.050 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc21 ZINC000019793050 556372382 /nfs/dbraw/zinc/37/23/82/556372382.db2.gz RBAKZQZWJODBQM-UHFFFAOYSA-N -1 1 497.513 6.949 50 10 JKCAMM O=C([O-])c1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 ZINC000085878675 569716296 /nfs/dbraw/zinc/71/62/96/569716296.db2.gz IQDFJDQMFIJORQ-UHFFFAOYSA-N -1 1 487.512 5.686 50 10 biogenic JKCAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000095470936 569723279 /nfs/dbraw/zinc/72/32/79/569723279.db2.gz YWWHXXLAMIZTPY-JCMHNJIXSA-N -1 1 480.977 5.168 50 10 JKCAMM O=C1C[C@H](c2ccccc2Br)c2c(c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096115848 569734923 /nfs/dbraw/zinc/73/49/23/569734923.db2.gz IPCNHNKEHXRZQS-CQSZACIVSA-N -1 1 479.282 5.075 50 10 biogenic JKCAMM CCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl ZINC000097944360 569746668 /nfs/dbraw/zinc/74/66/68/569746668.db2.gz IVGVZJCVCZAJNM-ZROIWOOFSA-N -1 1 487.170 6.195 50 10 JKCAMM O=c1c(C=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cccnc2)[n-]n1-c1ccccc1 ZINC000100406086 569759352 /nfs/dbraw/zinc/75/93/52/569759352.db2.gz DQHTUPKXDWFTGI-UYRXBGFRSA-N -1 1 476.380 5.866 50 10 JKCAMM COc1cc([N+](=O)[O-])cc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000036347395 569770989 /nfs/dbraw/zinc/77/09/89/569770989.db2.gz NKTSASJPVPZTIB-OAQYLSRUSA-N -1 1 461.440 5.125 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000248252426 570076833 /nfs/dbraw/zinc/07/68/33/570076833.db2.gz QFYPFYUAEGVVAS-OFNKIYASSA-N -1 1 475.759 6.603 50 10 JKCAMM Cc1cccc(N=Nc2c([O-])n(-c3ccc4ccccc4c3)c(=S)n(-c3ccccc3)c2=O)c1 ZINC000252623660 570087803 /nfs/dbraw/zinc/08/78/03/570087803.db2.gz OWMOWNDDRGMWDI-DEOSSOPVSA-N -1 1 464.550 5.965 50 10 JKCAMM Cc1cccc(N=Nc2c([O-])n(-c3ccc4ccccc4c3)c(=S)n(-c3ccccc3)c2=O)c1 ZINC000252623661 570087842 /nfs/dbraw/zinc/08/78/42/570087842.db2.gz OWMOWNDDRGMWDI-XMMPIXPASA-N -1 1 464.550 5.965 50 10 JKCAMM O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc([O-])c(O)c1 ZINC000001260822 194080682 /nfs/dbraw/zinc/08/06/82/194080682.db2.gz XTRIQIQZBSRGRG-UHFFFAOYSA-N -1 1 472.353 5.627 50 10 JKCAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000001421587 194117876 /nfs/dbraw/zinc/11/78/76/194117876.db2.gz YJOPZLWVRWNPTM-HZHRSRAPSA-N -1 1 480.977 5.168 50 10 JKCAMM CN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001771004 194136767 /nfs/dbraw/zinc/13/67/67/194136767.db2.gz LCJUGQCGLJGJOO-UHFFFAOYSA-N -1 1 473.878 6.470 50 10 JKCAMM CN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc21 ZINC000001771738 194137074 /nfs/dbraw/zinc/13/70/74/194137074.db2.gz JAPMNYQSYRDIPC-UHFFFAOYSA-N -1 1 463.533 6.590 50 10 biogenic JKCAMM COc1ccccc1-c1c(=O)c2ccc([O-])c(CN(C)Cc3ccccc3)c2oc1C(F)(F)F ZINC000001782087 194139245 /nfs/dbraw/zinc/13/92/45/194139245.db2.gz SJYNQLGOZIOHSG-UHFFFAOYSA-N -1 1 469.459 5.825 50 10 biogenic JKCAMM COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000001745907 194133286 /nfs/dbraw/zinc/13/32/86/194133286.db2.gz SQRVYQAWBZXHPY-GBQPJDALSA-N -1 1 487.602 6.083 50 10 JKCAMM Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)c3ccccc3c2O)cc1 ZINC000001795809 194141825 /nfs/dbraw/zinc/14/18/25/194141825.db2.gz GBTZAOQZCRLXGL-UHFFFAOYSA-N -1 1 471.603 6.959 50 10 JKCAMM Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3c2O)cc1 ZINC000001795807 194141970 /nfs/dbraw/zinc/14/19/70/194141970.db2.gz CRMYRVDJPYKTKF-UHFFFAOYSA-N -1 1 477.651 7.103 50 10 JKCAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)c1 ZINC000002954543 194178947 /nfs/dbraw/zinc/17/89/47/194178947.db2.gz QPWDMJHZGHVYAU-UHFFFAOYSA-N -1 1 469.562 6.489 50 10 JKCAMM O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1ccc(F)cc1 ZINC000002954928 194179029 /nfs/dbraw/zinc/17/90/29/194179029.db2.gz QMHOADREOBOGDA-UHFFFAOYSA-N -1 1 459.498 6.011 50 10 JKCAMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Sc3ccc(C)cc3)c(O)c3ccccc23)cc1 ZINC000003368366 194304494 /nfs/dbraw/zinc/30/44/94/194304494.db2.gz SSNAWMZSWKDYCA-UHFFFAOYSA-N -1 1 465.596 6.205 50 10 JKCAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000016349755 520895031 /nfs/dbraw/zinc/89/50/31/520895031.db2.gz UETJZXCKWPWXPP-HAHDFKILSA-N -1 1 480.977 5.168 50 10 JKCAMM C[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc5c(c4)C(=O)c4ccccc4C5=O)cc3c2C1 ZINC000006142778 524731923 /nfs/dbraw/zinc/73/19/23/524731923.db2.gz PLVVBWVVOPTIPI-OAHLLOKOSA-N -1 1 471.534 5.134 50 10 JKCAMM O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000001197192 526939225 /nfs/dbraw/zinc/93/92/25/526939225.db2.gz OSOUDZJOGKOIDZ-ONNFQVAWSA-N -1 1 462.141 5.677 50 10 JKCAMM Cc1ccc(-n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000001899068 554001986 /nfs/dbraw/zinc/00/19/86/554001986.db2.gz YBOKAJAHOHWNTF-UHFFFAOYSA-N -1 1 473.598 5.926 50 10 JKCAMM CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000002594799 554239831 /nfs/dbraw/zinc/23/98/31/554239831.db2.gz DYWRYASRRUDLNG-UNOMPAQXSA-N -1 1 455.992 5.882 50 10 JKCAMM CCCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c(CN(C)C)c1[O-] ZINC000002667115 554278675 /nfs/dbraw/zinc/27/86/75/554278675.db2.gz DBOIADXAJOEOPC-UHFFFAOYSA-N -1 1 462.493 5.808 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 ZINC000002671995 554279615 /nfs/dbraw/zinc/27/96/15/554279615.db2.gz OPOAYVLTPPQVRG-UCQKPKSFSA-N -1 1 487.581 5.746 50 10 JKCAMM Cc1cccc(N=Nc2c([O-])n(-c3ccc4ccccc4c3)c(=S)n(-c3ccccc3)c2=O)c1 ZINC000008437602 554588385 /nfs/dbraw/zinc/58/83/85/554588385.db2.gz OWMOWNDDRGMWDI-USTXVIIHSA-N -1 1 464.550 5.965 50 10 JKCAMM CC[C@H](C)c1ccccc1OCCOc1c(Cl)cc(Cl)cc1C=C1SC(=S)[N-]C1=O ZINC000009144520 554936127 /nfs/dbraw/zinc/93/61/27/554936127.db2.gz PRILKHFSIKOYED-JFENUBAZSA-N -1 1 482.454 6.454 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1ccccc1C ZINC000009425719 555190601 /nfs/dbraw/zinc/19/06/01/555190601.db2.gz XZRHMZASDIHAMV-PDGQHHTCSA-N -1 1 494.432 5.103 50 10 JKCAMM O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009463840 555234500 /nfs/dbraw/zinc/23/45/00/555234500.db2.gz SJMKDSSMXBBWOU-NCELDCMTSA-N -1 1 485.653 5.157 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000009659984 555363800 /nfs/dbraw/zinc/36/38/00/555363800.db2.gz WPCQPZUZQLNYKK-JCMHNJIXSA-N -1 1 474.047 6.334 50 10 JKCAMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000013361784 555387325 /nfs/dbraw/zinc/38/73/25/555387325.db2.gz ZVWNMHXVFZPFQG-ATLLOTDBSA-N -1 1 466.990 5.976 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccccc1C(C)C ZINC000009763009 555487955 /nfs/dbraw/zinc/48/79/55/555487955.db2.gz KIAGFOZMYZTGSC-UNOMPAQXSA-N -1 1 464.008 5.419 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC ZINC000019878908 555524527 /nfs/dbraw/zinc/52/45/27/555524527.db2.gz XEFWSPCECPMBCB-YADARESESA-N -1 1 481.346 5.414 50 10 JKCAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000013633046 555543246 /nfs/dbraw/zinc/54/32/46/555543246.db2.gz DMRGHHCDPKFISP-ZBDCHNAPSA-N -1 1 471.603 6.053 50 10 JKCAMM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1Cl ZINC000013801751 555621778 /nfs/dbraw/zinc/62/17/78/555621778.db2.gz QEVYIXMWSFXXCC-YBEGLDIGSA-N -1 1 487.320 5.623 50 10 JKCAMM CC(C)(c1ccccc1)c1ccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000013940046 555650239 /nfs/dbraw/zinc/65/02/39/555650239.db2.gz FBHLMSCEYMHLCK-HKOYGPOVSA-N -1 1 475.635 5.959 50 10 JKCAMM CC[C@H](C)c1ccccc1OCCOc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000013942425 555653294 /nfs/dbraw/zinc/65/32/94/555653294.db2.gz KHXVGCQHKSMMLO-DABDWFRDSA-N -1 1 492.460 5.909 50 10 JKCAMM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)c1 ZINC000015012800 555854704 /nfs/dbraw/zinc/85/47/04/555854704.db2.gz SVNQTRAVBZYHNQ-YBEGLDIGSA-N -1 1 470.865 5.109 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccccc1C ZINC000015821539 556009941 /nfs/dbraw/zinc/00/99/41/556009941.db2.gz YRBUCJISKJTMCI-YVLHZVERSA-N -1 1 464.406 5.224 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C ZINC000015857178 556024917 /nfs/dbraw/zinc/02/49/17/556024917.db2.gz AIGFJFUIHCUGJU-HZHRSRAPSA-N -1 1 471.644 5.854 50 10 JKCAMM CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(F)cc1)N1CCOCC1)c([O-])c1ccccc21 ZINC000024102784 556121645 /nfs/dbraw/zinc/12/16/45/556121645.db2.gz JSMIYSANCKIMND-DEOSSOPVSA-N -1 1 463.505 5.337 50 10 JKCAMM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl ZINC000017112493 556217607 /nfs/dbraw/zinc/21/76/07/556217607.db2.gz ABSNMGWRYXZXCF-MHWRWJLKSA-N -1 1 487.320 5.623 50 10 JKCAMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000017145811 556225939 /nfs/dbraw/zinc/22/59/39/556225939.db2.gz MZTLEFIMSJQMKL-DEDYPNTBSA-N -1 1 460.511 5.187 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025901685 556238333 /nfs/dbraw/zinc/23/83/33/556238333.db2.gz SMXFFUBYUKAKJJ-ZEQKJWHPSA-N -1 1 471.354 6.550 50 10 JKCAMM CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000019793048 556372322 /nfs/dbraw/zinc/37/23/22/556372322.db2.gz JXTNAWIJBBZHHU-UHFFFAOYSA-N -1 1 483.486 6.504 50 10 JKCAMM COC(=O)c1ccc([C@H]2N=C(c3cccc(OC)c3)C[C@H](c3ccc(Cl)cc3[O-])N2)cc1 ZINC000053363507 569588357 /nfs/dbraw/zinc/58/83/57/569588357.db2.gz LWBZOVNYJODRNJ-VWNXMTODSA-N -1 1 450.922 5.063 50 10 JKCAMM COC(=O)c1ccc([C@H]2N=C(c3cccc(OC)c3)C[C@@H](c3ccc(Cl)cc3[O-])N2)cc1 ZINC000053363509 569588381 /nfs/dbraw/zinc/58/83/81/569588381.db2.gz LWBZOVNYJODRNJ-UPVQGACJSA-N -1 1 450.922 5.063 50 10 JKCAMM COC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3CN(C)Cc3ccccc3)c2=O)cc1 ZINC000008441876 569590412 /nfs/dbraw/zinc/59/04/12/569590412.db2.gz FKKYOAOGEUZDPO-UHFFFAOYSA-N -1 1 459.498 5.018 50 10 biogenic JKCAMM COc1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC(C)C ZINC000096114779 569733910 /nfs/dbraw/zinc/73/39/10/569733910.db2.gz FTGKRIGUKLIEHI-QGZVFWFLSA-N -1 1 488.492 5.108 50 10 biogenic JKCAMM COc1cccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OC(C)C ZINC000096115078 569734099 /nfs/dbraw/zinc/73/40/99/569734099.db2.gz FUGUXEPADIKDCN-KRWDZBQOSA-N -1 1 488.492 5.108 50 10 biogenic JKCAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)c2ccccc12 ZINC000096115519 569734485 /nfs/dbraw/zinc/73/44/85/569734485.db2.gz KGMCBRZIYLYNOT-SFHVURJKSA-N -1 1 496.471 5.180 50 10 biogenic JKCAMM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc(C)c(C)cc1Br ZINC000103646241 569836912 /nfs/dbraw/zinc/83/69/12/569836912.db2.gz IEXGTDUXMYFASR-MHWRWJLKSA-N -1 1 477.200 5.855 50 10 JKCAMM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1-c1nnc(SCc2ccccc2)[n-]c1=O ZINC000103684711 569837047 /nfs/dbraw/zinc/83/70/47/569837047.db2.gz DGRBIIYQAMFHGX-CJLVFECKSA-N -1 1 494.580 5.255 50 10 JKCAMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1-c1nnc(SCc2ccccc2)[n-]c1=O ZINC000103684711 569837048 /nfs/dbraw/zinc/83/70/48/569837048.db2.gz DGRBIIYQAMFHGX-CJLVFECKSA-N -1 1 494.580 5.255 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000105684109 569853289 /nfs/dbraw/zinc/85/32/89/569853289.db2.gz RAPCSHOPEAUNAS-HAHDFKILSA-N -1 1 480.977 5.168 50 10 JKCAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000222462098 569884426 /nfs/dbraw/zinc/88/44/26/569884426.db2.gz FGEICFJXYMMLJN-UDCNLSRBSA-N -1 1 491.569 5.539 50 10 JKCAMM CN(C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc21 ZINC000001770941 194136680 /nfs/dbraw/zinc/13/66/80/194136680.db2.gz XSLYEWMCHDLCLC-UHFFFAOYSA-N -1 1 455.432 6.038 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000001913290 194155273 /nfs/dbraw/zinc/15/52/73/194155273.db2.gz PWJKSSSUMXQEQM-UHFFFAOYSA-N -1 1 453.460 6.207 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001913284 194155339 /nfs/dbraw/zinc/15/53/39/194155339.db2.gz OSODYEAZJIFQRW-UHFFFAOYSA-N -1 1 487.905 6.860 50 10 JKCAMM Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000002993338 194197300 /nfs/dbraw/zinc/19/73/00/194197300.db2.gz ULIURHFIRKQEDT-NDENLUEZSA-N -1 1 492.460 5.828 50 10 JKCAMM O=C1/C(=C\c2ccc([O-])c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000059417937 195399899 /nfs/dbraw/zinc/39/98/99/195399899.db2.gz RSECMZDIKNHUDN-VGOFMYFVSA-N -1 1 460.296 5.579 50 10 JKCAMM CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000002378282 520102632 /nfs/dbraw/zinc/10/26/32/520102632.db2.gz XFBYMRLKVLBAPO-JWGURIENSA-N -1 1 463.628 5.987 50 10 JKCAMM CCCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)ccc1Cl ZINC000008429957 520222642 /nfs/dbraw/zinc/22/26/42/520222642.db2.gz VBSOTPPRBXPGGA-PDGQHHTCSA-N -1 1 476.758 5.388 50 10 JKCAMM CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4ccc5c(c4)C(=O)c4ccccc4C5=O)cc3c2C(=O)C1 ZINC000006142777 520586002 /nfs/dbraw/zinc/58/60/02/520586002.db2.gz CXPOKXDJQMLQNL-UHFFFAOYSA-N -1 1 499.544 5.164 50 10 JKCAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016293238 520894388 /nfs/dbraw/zinc/89/43/88/520894388.db2.gz NGDCVBRKDCVFFH-HAHDFKILSA-N -1 1 480.977 5.168 50 10 JKCAMM CCc1ccc(OCCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000002882456 524005624 /nfs/dbraw/zinc/00/56/24/524005624.db2.gz DMGYQVVPOOARCR-CPNJWEJPSA-N -1 1 464.008 5.248 50 10 JKCAMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000015685524 524916340 /nfs/dbraw/zinc/91/63/40/524916340.db2.gz LMMKXGUUUSMBCX-GZTJUZNOSA-N -1 1 466.902 5.278 50 10 JKCAMM Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccc([O-])c(I)c2)S1 ZINC000033348183 525777981 /nfs/dbraw/zinc/77/79/81/525777981.db2.gz QYLYTSNGYLFYFH-OVCLIPMQSA-N -1 1 470.719 5.041 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000002840245 527056894 /nfs/dbraw/zinc/05/68/94/527056894.db2.gz VFRRFFZHMTUQEK-LHHJGKSTSA-N -1 1 465.210 6.368 50 10 JKCAMM CCc1cccc2c(C=C3C(=O)[N-]C(=S)N(CC)C3=O)cn(CCOc3ccccc3Cl)c21 ZINC000000667057 553743125 /nfs/dbraw/zinc/74/31/25/553743125.db2.gz LAFNAZNUEOPMDS-XMHGGMMESA-N -1 1 482.005 5.423 50 10 JKCAMM CN(C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000000934299 553872996 /nfs/dbraw/zinc/87/29/96/553872996.db2.gz IQLROAUYQDVWIV-UHFFFAOYSA-N -1 1 458.230 5.134 50 10 JKCAMM Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1 ZINC000001896466 554001717 /nfs/dbraw/zinc/00/17/17/554001717.db2.gz LHDQFMROQNZOBB-UHFFFAOYSA-N -1 1 478.620 6.416 50 10 JKCAMM O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)c1ccc([O-])c(O)c1 ZINC000002445613 554212605 /nfs/dbraw/zinc/21/26/05/554212605.db2.gz BLAZIUZIDUJLNP-UHFFFAOYSA-N -1 1 499.013 5.366 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000002854823 554382258 /nfs/dbraw/zinc/38/22/58/554382258.db2.gz BQVBAYXEDDAKQC-OVCLIPMQSA-N -1 1 470.797 5.179 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1 ZINC000006925022 554562482 /nfs/dbraw/zinc/56/24/82/554562482.db2.gz ADTALBIGUNGUOD-NFBKMPQASA-N -1 1 451.320 5.406 50 10 JKCAMM CCCCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)ccc1Cl ZINC000008430285 554583355 /nfs/dbraw/zinc/58/33/55/554583355.db2.gz ZIUITFCQIKSDKL-UYRXBGFRSA-N -1 1 490.785 5.778 50 10 JKCAMM O=S(=O)([N-]c1cc(SCc2ccccc2)c(O)c2ccccc12)c1ccc(Cl)cc1 ZINC000008859976 554756373 /nfs/dbraw/zinc/75/63/73/554756373.db2.gz JOBOUHZRPDYTED-UHFFFAOYSA-N -1 1 455.988 6.292 50 10 JKCAMM CCCN1C(=O)C(=CNc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)s2)C(=O)[N-]C1=S ZINC000013145624 555342941 /nfs/dbraw/zinc/34/29/41/555342941.db2.gz QOFVTLKNODSRML-RGEXLXHISA-N -1 1 476.627 5.043 50 10 JKCAMM Cc1ccc(C(C)C)c(OCCCOc2ccc(Cl)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000009659543 555363150 /nfs/dbraw/zinc/36/31/50/555363150.db2.gz CVWGEZPRKNZHAR-BKUYFWCQSA-N -1 1 462.036 6.109 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC ZINC000019878911 555524834 /nfs/dbraw/zinc/52/48/34/555524834.db2.gz XEFWSPCECPMBCB-NTKDMRAZSA-N -1 1 481.346 5.414 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000019893465 555531652 /nfs/dbraw/zinc/53/16/52/555531652.db2.gz RZQWINOZPJXTGQ-OXQOHEQNSA-N -1 1 490.151 5.753 50 10 JKCAMM CN(C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(Br)cc3)c(C(F)(F)F)oc21 ZINC000019901817 555535704 /nfs/dbraw/zinc/53/57/04/555535704.db2.gz NLIFPGSEYGMOOT-UHFFFAOYSA-N -1 1 458.230 5.134 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616710 555536918 /nfs/dbraw/zinc/53/69/18/555536918.db2.gz KQPJDMCPQOMDIQ-UZLBHIALSA-N -1 1 461.768 6.112 50 10 JKCAMM O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)ccc1Cl ZINC000013786176 555618849 /nfs/dbraw/zinc/61/88/49/555618849.db2.gz ZONAFSPRNLPYDE-MHWRWJLKSA-N -1 1 470.865 5.109 50 10 JKCAMM O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000013810515 555625851 /nfs/dbraw/zinc/62/58/51/555625851.db2.gz JQEMJHZOBLEFFA-BOPFTXTBSA-N -1 1 497.326 5.079 50 10 JKCAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000020073521 555628226 /nfs/dbraw/zinc/62/82/26/555628226.db2.gz YFRKKKZKGIGVDN-PXLXIMEGSA-N -1 1 480.977 5.168 50 10 JKCAMM CC[C@@H](C)c1ccccc1OCCOc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000013942423 555653305 /nfs/dbraw/zinc/65/33/05/555653305.db2.gz KHXVGCQHKSMMLO-KELUXRKGSA-N -1 1 492.460 5.909 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000022130572 555879718 /nfs/dbraw/zinc/87/97/18/555879718.db2.gz BQVBAYXEDDAKQC-NVNXTCNLSA-N -1 1 470.797 5.179 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000022358569 555925411 /nfs/dbraw/zinc/92/54/11/555925411.db2.gz XGFIOKWWCAMFDN-CHHVJCJISA-N -1 1 458.761 5.309 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000012360367 555957107 /nfs/dbraw/zinc/95/71/07/555957107.db2.gz BCFXODBGZDNGEO-YBFXNURJSA-N -1 1 456.386 5.670 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000015769238 555988021 /nfs/dbraw/zinc/98/80/21/555988021.db2.gz OHUWLSBBLYMGTM-CXUHLZMHSA-N -1 1 468.369 5.055 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000015800503 556008748 /nfs/dbraw/zinc/00/87/48/556008748.db2.gz RSOQYHKQKAWKTH-UNOMPAQXSA-N -1 1 464.008 5.302 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000015800570 556009076 /nfs/dbraw/zinc/00/90/76/556009076.db2.gz VDJNDBNDGARYSN-AABCQZNVSA-N -1 1 457.617 5.545 50 10 JKCAMM CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(F)cc1)N1CCOCC1)c([O-])c1ccccc21 ZINC000024102787 556121619 /nfs/dbraw/zinc/12/16/19/556121619.db2.gz JSMIYSANCKIMND-XMMPIXPASA-N -1 1 463.505 5.337 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025576380 556222865 /nfs/dbraw/zinc/22/28/65/556222865.db2.gz DKOXKNWDFOGJHH-UGKGYDQZSA-N -1 1 490.184 6.704 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000025577682 556223740 /nfs/dbraw/zinc/22/37/40/556223740.db2.gz QFYPFYUAEGVVAS-NZQKXSOJSA-N -1 1 475.759 6.603 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025579396 556224940 /nfs/dbraw/zinc/22/49/40/556224940.db2.gz GJJCJUAAIXWKPV-SIKLNZKXSA-N -1 1 490.184 6.704 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025901681 556238322 /nfs/dbraw/zinc/23/83/22/556238322.db2.gz SMXFFUBYUKAKJJ-BVAGGSTKSA-N -1 1 471.354 6.550 50 10 JKCAMM O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)c1ccc([O-])c(O)c1 ZINC000019811351 556382135 /nfs/dbraw/zinc/38/21/35/556382135.db2.gz LYVCKRZMJNIDCV-UHFFFAOYSA-N -1 1 472.353 5.627 50 10 JKCAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(SCc3ccco3)c(O)c3ccccc23)cc1 ZINC000008439350 562939328 /nfs/dbraw/zinc/93/93/28/562939328.db2.gz VHPCHTHTJREVSG-UHFFFAOYSA-N -1 1 467.612 6.529 50 10 JKCAMM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1-c1nnc(SCc2ccccc2)[n-]c1=O ZINC000008723353 569599190 /nfs/dbraw/zinc/59/91/90/569599190.db2.gz DGRBIIYQAMFHGX-JWGURIENSA-N -1 1 494.580 5.255 50 10 JKCAMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1-c1nnc(SCc2ccccc2)[n-]c1=O ZINC000008723353 569599191 /nfs/dbraw/zinc/59/91/91/569599191.db2.gz DGRBIIYQAMFHGX-JWGURIENSA-N -1 1 494.580 5.255 50 10 JKCAMM CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096114022 569732993 /nfs/dbraw/zinc/73/29/93/569732993.db2.gz PRSMVNCLGBKJCN-KRWDZBQOSA-N -1 1 458.466 5.099 50 10 biogenic JKCAMM O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000103895869 569838843 /nfs/dbraw/zinc/83/88/43/569838843.db2.gz CRSZQINWTRBXRQ-WJGQKVTCSA-N -1 1 476.022 6.556 50 10 JKCAMM CCN(CC)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226814571 570038637 /nfs/dbraw/zinc/03/86/37/570038637.db2.gz KDWPXBAHHVCUNV-ISJGIBHGSA-N -1 1 475.976 5.237 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2[O-])cc1OC ZINC000239433066 570052113 /nfs/dbraw/zinc/05/21/13/570052113.db2.gz XEFWSPCECPMBCB-CYFREDJKSA-N -1 1 481.346 5.414 50 10 JKCAMM C[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@H]2C)c2oc(-c3ccccc3)cc(=O)c2c1[O-] ZINC000252182587 570079763 /nfs/dbraw/zinc/07/97/63/570079763.db2.gz QGPIZOQEGOUCIZ-WOJBJXKFSA-N -1 1 476.617 5.620 50 10 biogenic JKCAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000001052051 194010363 /nfs/dbraw/zinc/01/03/63/194010363.db2.gz MNBSQJFMUFSHGX-LFVJCYFKSA-N -1 1 474.586 5.131 50 10 JKCAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000001421589 194117982 /nfs/dbraw/zinc/11/79/82/194117982.db2.gz GSZMFZRNWVIFNH-HZHRSRAPSA-N -1 1 480.977 5.168 50 10 JKCAMM CN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3cccc4ccccc43)c(C(F)(F)F)oc21 ZINC000001770094 194136169 /nfs/dbraw/zinc/13/61/69/194136169.db2.gz DMMQWCNMZXFFHE-UHFFFAOYSA-N -1 1 489.493 6.970 50 10 biogenic JKCAMM CCOC(=O)c1c(NCc2cc(Br)cc(Br)c2[O-])sc2c1CCCC2 ZINC000001830592 194147990 /nfs/dbraw/zinc/14/79/90/194147990.db2.gz XDBUEPDDPGVTBZ-UHFFFAOYSA-N -1 1 489.229 5.646 50 10 JKCAMM Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)ccc1OCCC(C)C ZINC000001835972 194148781 /nfs/dbraw/zinc/14/87/81/194148781.db2.gz YKLHPKNUSHRRMZ-HMAPJEAMSA-N -1 1 463.628 6.173 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000002993924 194197662 /nfs/dbraw/zinc/19/76/62/194197662.db2.gz JMMFKDLAAAMUBJ-NDENLUEZSA-N -1 1 478.035 5.727 50 10 JKCAMM COc1ccc(Oc2c(=O)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000020358030 524988756 /nfs/dbraw/zinc/98/87/56/524988756.db2.gz FRDKZUFHDQUGEX-UHFFFAOYSA-N -1 1 485.458 5.950 50 10 JKCAMM O=C(C(=O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc([O-])cc3)cc2)cc1)c1ccccc1 ZINC000003086334 527667223 /nfs/dbraw/zinc/66/72/23/527667223.db2.gz AXQCPYHDIXGWAV-UHFFFAOYSA-N -1 1 458.491 5.083 50 10 JKCAMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000000640716 553723399 /nfs/dbraw/zinc/72/33/99/553723399.db2.gz LAZVTSOCTNZBRV-DEDYPNTBSA-N -1 1 462.336 5.458 50 10 JKCAMM COc1ccc(S(=O)(=O)[N-]c2cc(Sc3ccc(C)cc3)c(O)c3ccccc23)cc1 ZINC000000944520 553878676 /nfs/dbraw/zinc/87/86/76/553878676.db2.gz AYJXMDPHHHLWJD-UHFFFAOYSA-N -1 1 451.569 5.814 50 10 JKCAMM COc1ccc(-n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000001272221 553939373 /nfs/dbraw/zinc/93/93/73/553939373.db2.gz FDJPAGZUBVPEHU-UHFFFAOYSA-N -1 1 489.597 5.627 50 10 JKCAMM CCOc1ccc(-n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001276438 553939667 /nfs/dbraw/zinc/93/96/67/553939667.db2.gz JYNJCMHZLRSSBA-UHFFFAOYSA-N -1 1 481.961 5.373 50 10 JKCAMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000001461944 553975730 /nfs/dbraw/zinc/97/57/30/553975730.db2.gz ZVWNMHXVFZPFQG-GAKIBJFNSA-N -1 1 466.990 5.976 50 10 JKCAMM COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000001896571 554001723 /nfs/dbraw/zinc/00/17/23/554001723.db2.gz YLGGDAUKVCWTPA-AMCKHAKVSA-N -1 1 457.576 5.663 50 10 JKCAMM COc1ccc(S(=O)(=O)[N-]c2cc(Sc3cccc4cccnc43)c(O)c3ccccc23)cc1 ZINC000002685385 554282730 /nfs/dbraw/zinc/28/27/30/554282730.db2.gz SBNNJXVXPSWMND-UHFFFAOYSA-N -1 1 488.590 6.054 50 10 JKCAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 ZINC000002822587 554364857 /nfs/dbraw/zinc/36/48/57/554364857.db2.gz KYTZFYKXEZDAQG-HAHDFKILSA-N -1 1 469.591 5.607 50 10 JKCAMM Cc1ccc(OCCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000002852086 554380334 /nfs/dbraw/zinc/38/03/34/554380334.db2.gz IEQMEHBMHSQUHY-LICLKQGHSA-N -1 1 454.400 5.639 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000006065438 554501383 /nfs/dbraw/zinc/50/13/83/554501383.db2.gz UTNYLHGGMUGRQB-XQNSMLJCSA-N -1 1 474.586 5.131 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000006925001 554562507 /nfs/dbraw/zinc/56/25/07/554562507.db2.gz IYUSUDFJUNFIKI-NFBKMPQASA-N -1 1 485.765 6.059 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008426557 554581575 /nfs/dbraw/zinc/58/15/75/554581575.db2.gz MENHLZFUQHUXJM-SIKLNZKXSA-N -1 1 455.739 6.050 50 10 JKCAMM COc1ccc(S(=O)(=O)[N-]c2cc(SCc3ccccc3)c(O)c3ccccc23)cc1[N+](=O)[O-] ZINC000008859980 554756337 /nfs/dbraw/zinc/75/63/37/554756337.db2.gz SABYGYBMPSEGNZ-UHFFFAOYSA-N -1 1 496.566 5.555 50 10 JKCAMM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)cc1 ZINC000008871910 554767896 /nfs/dbraw/zinc/76/78/96/554767896.db2.gz AEFDQOZSDOVHPZ-UHFFFAOYSA-N -1 1 469.562 6.434 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000008952496 554836225 /nfs/dbraw/zinc/83/62/25/554836225.db2.gz PAHVCRICIMEKJL-UYRXBGFRSA-N -1 1 478.035 5.593 50 10 JKCAMM CC[C@H](C)c1ccccc1OCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000008984446 554848114 /nfs/dbraw/zinc/84/81/14/554848114.db2.gz DBCPPYLKIUPANR-DABDWFRDSA-N -1 1 478.035 5.809 50 10 JKCAMM COc1ccc(-c2c(C)oc3c(CN4CCCCC4)c([O-])c(C[NH+]4CCCCC4)c([O-])c3c2=O)cc1 ZINC000009012308 554864492 /nfs/dbraw/zinc/86/44/92/554864492.db2.gz CCWYZKOYIDMPNO-UHFFFAOYSA-N -1 1 492.616 5.160 50 10 biogenic JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1c(C)cccc1C ZINC000009280236 555049480 /nfs/dbraw/zinc/04/94/80/555049480.db2.gz MLCZRYUWEYNAEB-LDADJPATSA-N -1 1 464.008 5.302 50 10 JKCAMM C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)[N-]C1=S ZINC000009309387 555084077 /nfs/dbraw/zinc/08/40/77/555084077.db2.gz YSMOPCJPWLLYGP-GXDFBKAQSA-N -1 1 465.578 5.078 50 10 JKCAMM CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000009510809 555300159 /nfs/dbraw/zinc/30/01/59/555300159.db2.gz BGOZRZUMDOFBAE-LPXFMOJISA-N -1 1 482.454 6.454 50 10 JKCAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000013361786 555387288 /nfs/dbraw/zinc/38/72/88/555387288.db2.gz FGEICFJXYMMLJN-ANSQWYIGSA-N -1 1 491.569 5.539 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C ZINC000009678639 555402806 /nfs/dbraw/zinc/40/28/06/555402806.db2.gz KRIFUXNIOCJJFQ-HYARGMPZSA-N -1 1 457.617 5.464 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccccc1CC ZINC000009763109 555488370 /nfs/dbraw/zinc/48/83/70/555488370.db2.gz LQKGEKKNXYDCLB-UYRXBGFRSA-N -1 1 464.008 5.248 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000019893463 555531603 /nfs/dbraw/zinc/53/16/03/555531603.db2.gz RZQWINOZPJXTGQ-UZLBHIALSA-N -1 1 490.151 5.753 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616708 555536874 /nfs/dbraw/zinc/53/68/74/555536874.db2.gz KQPJDMCPQOMDIQ-OXJNMPFZSA-N -1 1 461.768 6.112 50 10 JKCAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000020073524 555628244 /nfs/dbraw/zinc/62/82/44/555628244.db2.gz YMEFESPWCTXYTB-BUVRLJJBSA-N -1 1 495.004 5.476 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000013897662 555644549 /nfs/dbraw/zinc/64/45/49/555644549.db2.gz WCJIXYDEBFQVQU-JTMDUIFQSA-N -1 1 492.062 6.199 50 10 JKCAMM Cc1cc(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)ccc1Cl ZINC000013899020 555645485 /nfs/dbraw/zinc/64/54/85/555645485.db2.gz DTFROMNDFLZFOG-YVLHZVERSA-N -1 1 484.824 5.358 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 ZINC000013899310 555645723 /nfs/dbraw/zinc/64/57/23/555645723.db2.gz RHZKBVWQSMZQJO-CPNJWEJPSA-N -1 1 464.008 5.384 50 10 JKCAMM CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000013940033 555649937 /nfs/dbraw/zinc/64/99/37/555649937.db2.gz XTIHNLAVUFYXSG-KELUXRKGSA-N -1 1 492.460 5.909 50 10 JKCAMM CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000013940416 555650921 /nfs/dbraw/zinc/65/09/21/555650921.db2.gz LPAYPNXXWHFMKA-XHPQRKPJSA-N -1 1 479.580 5.479 50 10 JKCAMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000014165951 555718404 /nfs/dbraw/zinc/71/84/04/555718404.db2.gz ZVWNMHXVFZPFQG-FUMQJTLXSA-N -1 1 466.990 5.976 50 10 JKCAMM CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000020573313 555824946 /nfs/dbraw/zinc/82/49/46/555824946.db2.gz IUWJUGVRSTYHEW-KELUXRKGSA-N -1 1 478.035 5.809 50 10 JKCAMM COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3SC(=S)[N-]C3=O)c2-c2ccccc2)cc1 ZINC000022109486 555876166 /nfs/dbraw/zinc/87/61/66/555876166.db2.gz IKGUTJKSHNLGBP-ULJHMMPZSA-N -1 1 496.613 6.087 50 10 JKCAMM Cc1cc(C)cc(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000015800511 556008737 /nfs/dbraw/zinc/00/87/37/556008737.db2.gz BNSDCOOTMJUWPP-WQRHYEAKSA-N -1 1 464.406 5.013 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1ccccc1OC ZINC000015857275 556024894 /nfs/dbraw/zinc/02/48/94/556024894.db2.gz RCGPHTRUJBKGAP-CPNJWEJPSA-N -1 1 480.007 5.084 50 10 JKCAMM CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1Cl)N1CCOCC1)c([O-])c1ccccc21 ZINC000023224625 556032107 /nfs/dbraw/zinc/03/21/07/556032107.db2.gz FYLSIXQOIAVQKT-DEOSSOPVSA-N -1 1 479.960 5.852 50 10 JKCAMM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1 ZINC000017056236 556214468 /nfs/dbraw/zinc/21/44/68/556214468.db2.gz DUDXZYLGXTZTGT-UVTDQMKNSA-N -1 1 487.320 5.623 50 10 JKCAMM Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000025558621 556220674 /nfs/dbraw/zinc/22/06/74/556220674.db2.gz AOXNHDAMKHFIOZ-NFBKMPQASA-N -1 1 459.760 6.903 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1 ZINC000025577655 556223750 /nfs/dbraw/zinc/22/37/50/556223750.db2.gz UIYHQXLOTCBVOF-NFBKMPQASA-N -1 1 485.765 6.059 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017265216 556248486 /nfs/dbraw/zinc/24/84/86/556248486.db2.gz MENHLZFUQHUXJM-KNQAVFIVSA-N -1 1 455.739 6.050 50 10 JKCAMM Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2C(F)(F)F)c1 ZINC000019791774 556371161 /nfs/dbraw/zinc/37/11/61/556371161.db2.gz NWENXSYYCLMVPJ-UHFFFAOYSA-N -1 1 469.459 6.250 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)ccc3C)c(C(F)(F)F)oc21 ZINC000019793136 556372652 /nfs/dbraw/zinc/37/26/52/556372652.db2.gz AEMXFGUCIBWUCX-UHFFFAOYSA-N -1 1 497.513 6.949 50 10 JKCAMM Cc1c(NS(=O)(=O)c2ccccc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008590674 562942672 /nfs/dbraw/zinc/94/26/72/562942672.db2.gz OFKDQFZCOGRELK-UHFFFAOYSA-N -1 1 480.007 5.111 50 10 JKCAMM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000085878789 569716272 /nfs/dbraw/zinc/71/62/72/569716272.db2.gz RRZMDCPJYFEGHO-UHFFFAOYSA-N -1 1 485.452 5.241 50 10 biogenic JKCAMM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000085879991 569716462 /nfs/dbraw/zinc/71/64/62/569716462.db2.gz UFEHXLFRCASSLY-UHFFFAOYSA-N -1 1 485.452 5.241 50 10 biogenic JKCAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000100148838 569754060 /nfs/dbraw/zinc/75/40/60/569754060.db2.gz CVMHTPLQLAAOPQ-PCLIKHOPSA-N -1 1 489.019 5.757 50 10 JKCAMM COC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(Br)c(C)c3C)c2=O)ccc1Cl ZINC000101123292 569783664 /nfs/dbraw/zinc/78/36/64/569783664.db2.gz IDXNTSZOJSSYKB-MHWRWJLKSA-N -1 1 476.758 5.224 50 10 JKCAMM CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)cc1 ZINC000101122885 569783736 /nfs/dbraw/zinc/78/37/36/569783736.db2.gz YQEQYDDKDZALRX-WPWMEQJKSA-N -1 1 453.586 6.076 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000248187586 570076091 /nfs/dbraw/zinc/07/60/91/570076091.db2.gz IYUSUDFJUNFIKI-REWPJTCUSA-N -1 1 485.765 6.059 50 10 JKCAMM O=S(=O)([N-]c1cc(Sc2cccc3cccnc32)c(O)c2ccccc12)c1ccccc1 ZINC000001119380 194032613 /nfs/dbraw/zinc/03/26/13/194032613.db2.gz PQIKPRFFZWZBIW-UHFFFAOYSA-N -1 1 458.564 6.046 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000001421571 194117890 /nfs/dbraw/zinc/11/78/90/194117890.db2.gz XOXJTRHUHDAFJH-PCLIKHOPSA-N -1 1 474.586 5.131 50 10 JKCAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)cc1 ZINC000001795862 194141858 /nfs/dbraw/zinc/14/18/58/194141858.db2.gz NSFATCPZPPDNKI-UHFFFAOYSA-N -1 1 483.589 6.995 50 10 JKCAMM CCOC(=O)c1c(NCc2cc(Br)cc(Br)c2[O-])sc2c1CCC2 ZINC000001902218 194154200 /nfs/dbraw/zinc/15/42/00/194154200.db2.gz ZENXYAYYNBYKFK-UHFFFAOYSA-N -1 1 475.202 5.256 50 10 JKCAMM Cc1ccc(OCCOCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2Cl)cc1 ZINC000002960112 194181273 /nfs/dbraw/zinc/18/12/73/194181273.db2.gz QULXLHYDVHAWRQ-LDADJPATSA-N -1 1 484.426 5.265 50 10 JKCAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000003856155 194364914 /nfs/dbraw/zinc/36/49/14/194364914.db2.gz YEVCGNQZQYTZJB-PCLIKHOPSA-N -1 1 474.586 5.131 50 10 JKCAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000044676361 523843876 /nfs/dbraw/zinc/84/38/76/523843876.db2.gz FGEICFJXYMMLJN-MVYHEMRASA-N -1 1 491.569 5.539 50 10 JKCAMM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000033286212 523961421 /nfs/dbraw/zinc/96/14/21/523961421.db2.gz MZTLEFIMSJQMKL-MOSHPQCFSA-N -1 1 460.511 5.187 50 10 JKCAMM C[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc5c(c4)C(=O)c4ccccc4C5=O)cc3c2C1 ZINC000006142780 524444887 /nfs/dbraw/zinc/44/48/87/524444887.db2.gz PLVVBWVVOPTIPI-HNNXBMFYSA-N -1 1 471.534 5.134 50 10 JKCAMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000044676359 524643959 /nfs/dbraw/zinc/64/39/59/524643959.db2.gz ZVWNMHXVFZPFQG-UZEJHQAJSA-N -1 1 466.990 5.976 50 10 JKCAMM Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)c3ccccc3c2O)c(C)c1 ZINC000006142966 525670500 /nfs/dbraw/zinc/67/05/00/525670500.db2.gz LHIYQWGTTSFJBW-UHFFFAOYSA-N -1 1 485.630 7.267 50 10 JKCAMM Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)NC1=S ZINC000033333178 525758602 /nfs/dbraw/zinc/75/86/02/525758602.db2.gz RHQBVVXHGVADJA-WJDWOHSUSA-N -1 1 466.902 5.278 50 10 JKCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000033752725 526086695 /nfs/dbraw/zinc/08/66/95/526086695.db2.gz ZVIHCYQOEKNTOB-VXLYETTFSA-N -1 1 453.951 5.316 50 10 JKCAMM O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)ccc1Cl ZINC000033334288 526341039 /nfs/dbraw/zinc/34/10/39/526341039.db2.gz SISAINPNXKETAI-GXDHUFHOSA-N -1 1 487.320 5.623 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017729433 526346924 /nfs/dbraw/zinc/34/69/24/526346924.db2.gz RAKDZEAXRLIBMZ-KNQAVFIVSA-N -1 1 455.739 6.050 50 10 JKCAMM O=C(CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1Cl)c1ccc([O-])c(O)c1 ZINC000002916844 527065913 /nfs/dbraw/zinc/06/59/13/527065913.db2.gz POXUDEZKJPQDLT-UHFFFAOYSA-N -1 1 479.366 5.140 50 10 JKCAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)c(Sc3nc4ccccc4s3)c2)ccc1Cl ZINC000006142939 527340178 /nfs/dbraw/zinc/34/01/78/527340178.db2.gz CXCRIHMGSREZAG-UHFFFAOYSA-N -1 1 493.975 5.516 50 10 JKCAMM COc1ccc(-c2c(=O)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2C(F)(F)F)cc1OC ZINC000000939994 553876078 /nfs/dbraw/zinc/87/60/78/553876078.db2.gz NZCDHQVDPHVNKD-UHFFFAOYSA-N -1 1 499.485 5.834 50 10 JKCAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002269811 554126512 /nfs/dbraw/zinc/12/65/12/554126512.db2.gz PHAYKRVRSAYQGZ-BCGDRIGESA-N -1 1 489.593 6.192 50 10 JKCAMM Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3cccc4cccnc43)c(O)c3ccccc23)cc1 ZINC000002685347 554282682 /nfs/dbraw/zinc/28/26/82/554282682.db2.gz ZCQQOOQVNKDCOK-UHFFFAOYSA-N -1 1 472.591 6.354 50 10 JKCAMM COc1ccc(S(=O)(=O)[N-]c2cc(SCc3ccccc3)c(O)c3ccccc23)cc1 ZINC000002856007 554382849 /nfs/dbraw/zinc/38/28/49/554382849.db2.gz IIYVEHYLHLWESG-UHFFFAOYSA-N -1 1 451.569 5.647 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl ZINC000002856529 554383160 /nfs/dbraw/zinc/38/31/60/554383160.db2.gz LEMVDLVSJBYJMZ-LZYBPNLTSA-N -1 1 474.818 6.113 50 10 JKCAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12 ZINC000002858424 554384589 /nfs/dbraw/zinc/38/45/89/554384589.db2.gz NLZLIUCRXRXNOP-UHFFFAOYSA-N -1 1 473.525 6.320 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000002998921 554422165 /nfs/dbraw/zinc/42/21/65/554422165.db2.gz HABYYQHIMIISHD-WOJGMQOQSA-N -1 1 494.432 5.021 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1 ZINC000006924988 554562490 /nfs/dbraw/zinc/56/24/90/554562490.db2.gz ADTALBIGUNGUOD-NZQKXSOJSA-N -1 1 451.320 5.406 50 10 JKCAMM O=S(=O)([N-]c1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccccc1 ZINC000008438968 554590080 /nfs/dbraw/zinc/59/00/80/554590080.db2.gz YWKQAYXCVAARCZ-UHFFFAOYSA-N -1 1 464.593 6.107 50 10 JKCAMM O=S(=O)([N-]c1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccc(Cl)cc1 ZINC000008438970 554590126 /nfs/dbraw/zinc/59/01/26/554590126.db2.gz DSWANZLWCPACQV-UHFFFAOYSA-N -1 1 499.038 6.761 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000008439906 554590799 /nfs/dbraw/zinc/59/07/99/554590799.db2.gz AIUAWDOZDBKOTF-OXJNMPFZSA-N -1 1 461.768 6.112 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000008809363 554687965 /nfs/dbraw/zinc/68/79/65/554687965.db2.gz RAKDZEAXRLIBMZ-DENIHFKCSA-N -1 1 455.739 6.050 50 10 JKCAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)ccc1Cl ZINC000008871903 554767806 /nfs/dbraw/zinc/76/78/06/554767806.db2.gz ATTOFOOSAFCVMT-UHFFFAOYSA-N -1 1 470.890 5.280 50 10 JKCAMM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)cc1 ZINC000008871909 554767879 /nfs/dbraw/zinc/76/78/79/554767879.db2.gz GJWONICYIWIJKF-UHFFFAOYSA-N -1 1 485.561 6.271 50 10 JKCAMM CC(C)(c1ccccc1)c1ccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000008983968 554847891 /nfs/dbraw/zinc/84/78/91/554847891.db2.gz FBHLMSCEYMHLCK-MOHJPFBDSA-N -1 1 475.635 5.959 50 10 JKCAMM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000008997320 554858950 /nfs/dbraw/zinc/85/89/50/554858950.db2.gz XFGDBKFRBWWPRV-UHFFFAOYSA-N -1 1 493.588 5.965 50 10 JKCAMM CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000008997320 554858952 /nfs/dbraw/zinc/85/89/52/554858952.db2.gz XFGDBKFRBWWPRV-UHFFFAOYSA-N -1 1 493.588 5.965 50 10 JKCAMM CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000008997320 554858955 /nfs/dbraw/zinc/85/89/55/554858955.db2.gz XFGDBKFRBWWPRV-UHFFFAOYSA-N -1 1 493.588 5.965 50 10 JKCAMM CCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1[O-] ZINC000009008936 554862980 /nfs/dbraw/zinc/86/29/80/554862980.db2.gz QFLUAXMDPGUTGF-UHFFFAOYSA-N -1 1 453.178 5.679 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccc([C@H](C)CC)cc1 ZINC000009553845 555350385 /nfs/dbraw/zinc/35/03/85/555350385.db2.gz WCJIXYDEBFQVQU-XWCAUFEOSA-N -1 1 492.062 6.199 50 10 JKCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013514629 555485419 /nfs/dbraw/zinc/48/54/19/555485419.db2.gz IRWNTGIOZDRMRX-JCMHNJIXSA-N -1 1 468.022 5.265 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616644 555536555 /nfs/dbraw/zinc/53/65/55/555536555.db2.gz AIUAWDOZDBKOTF-JXFKEZNVSA-N -1 1 461.768 6.112 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616711 555536883 /nfs/dbraw/zinc/53/68/83/555536883.db2.gz KQPJDMCPQOMDIQ-OXQOHEQNSA-N -1 1 461.768 6.112 50 10 JKCAMM Cc1cc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)ccc1Cl ZINC000013894165 555641795 /nfs/dbraw/zinc/64/17/95/555641795.db2.gz ARNSUNVYOVLURN-PXNMLYILSA-N -1 1 474.818 5.902 50 10 JKCAMM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000013923811 555647483 /nfs/dbraw/zinc/64/74/83/555647483.db2.gz AJFUOPAOEHUDRP-RGEXLXHISA-N -1 1 481.606 6.600 50 10 JKCAMM O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)ccc1Cl ZINC000020146022 555664645 /nfs/dbraw/zinc/66/46/45/555664645.db2.gz VXIYSEKMHOOPOH-UVTDQMKNSA-N -1 1 470.865 5.109 50 10 JKCAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000014165956 555718640 /nfs/dbraw/zinc/71/86/40/555718640.db2.gz FGEICFJXYMMLJN-UYXZNNOOSA-N -1 1 491.569 5.539 50 10 JKCAMM CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000020573314 555824878 /nfs/dbraw/zinc/82/48/78/555824878.db2.gz IUWJUGVRSTYHEW-DABDWFRDSA-N -1 1 478.035 5.809 50 10 JKCAMM CCCCCSc1nnc(-c2ccccc2NC=C2C(C)=NN(c3ccccc3)C2=O)c(=O)[n-]1 ZINC000015015759 555856169 /nfs/dbraw/zinc/85/61/69/555856169.db2.gz PLGOPPKFKPNZHD-CAPFRKAQSA-N -1 1 474.590 5.245 50 10 JKCAMM CCCCCSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[n-]1 ZINC000015015759 555856171 /nfs/dbraw/zinc/85/61/71/555856171.db2.gz PLGOPPKFKPNZHD-CAPFRKAQSA-N -1 1 474.590 5.245 50 10 JKCAMM CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1F ZINC000015230892 555889452 /nfs/dbraw/zinc/88/94/52/555889452.db2.gz NTBZKZAXAUIHPM-MOSHPQCFSA-N -1 1 453.564 5.346 50 10 JKCAMM O=C([O-])c1cccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)c1 ZINC000015723347 555958402 /nfs/dbraw/zinc/95/84/02/555958402.db2.gz FPCUCJCVPAQPDX-BOPFTXTBSA-N -1 1 497.326 5.079 50 10 JKCAMM Cc1ccc(C)c(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000015800258 556008386 /nfs/dbraw/zinc/00/83/86/556008386.db2.gz RFMGALLTRIFKRH-MFOYZWKCSA-N -1 1 454.400 5.557 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000015800425 556008787 /nfs/dbraw/zinc/00/87/87/556008787.db2.gz GAYUXTJPQQJFOF-UNOMPAQXSA-N -1 1 464.008 5.302 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1cccc(OC)c1 ZINC000015857160 556024879 /nfs/dbraw/zinc/02/48/79/556024879.db2.gz DVPXZOQZASVFAT-XDHOZWIPSA-N -1 1 480.007 5.084 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1ccc(OC)cc1 ZINC000015857352 556025195 /nfs/dbraw/zinc/02/51/95/556025195.db2.gz LVZNMIAGSYWJNP-CPNJWEJPSA-N -1 1 480.007 5.084 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577237 556223415 /nfs/dbraw/zinc/22/34/15/556223415.db2.gz JJBMMVFNUIDPEW-OZXSUGGESA-N -1 1 461.348 7.095 50 10 JKCAMM [O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577243 556223423 /nfs/dbraw/zinc/22/34/23/556223423.db2.gz JJBMMVFNUIDPEW-JYFHCDHNSA-N -1 1 461.348 7.095 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000017265211 556248456 /nfs/dbraw/zinc/24/84/56/556248456.db2.gz MENHLZFUQHUXJM-UGKGYDQZSA-N -1 1 455.739 6.050 50 10 JKCAMM CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN(CC)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000019793057 556372377 /nfs/dbraw/zinc/37/23/77/556372377.db2.gz KDHNBSFVRHNXBT-UHFFFAOYSA-N -1 1 497.513 6.894 50 10 JKCAMM COC(=O)c1ccc([C@@H]2N=C(c3cccc(OC)c3)C[C@@H](c3ccc(Cl)cc3[O-])N2)cc1 ZINC000053363505 569588423 /nfs/dbraw/zinc/58/84/23/569588423.db2.gz LWBZOVNYJODRNJ-LADGPHEKSA-N -1 1 450.922 5.063 50 10 JKCAMM COC(=O)c1ccc([C@@H]2N=C(c3cccc(OC)c3)C[C@H](c3ccc(Cl)cc3[O-])N2)cc1 ZINC000053363503 569588438 /nfs/dbraw/zinc/58/84/38/569588438.db2.gz LWBZOVNYJODRNJ-ISKFKSNPSA-N -1 1 450.922 5.063 50 10 JKCAMM COc1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC(C)C ZINC000096114778 569733795 /nfs/dbraw/zinc/73/37/95/569733795.db2.gz FTGKRIGUKLIEHI-KRWDZBQOSA-N -1 1 488.492 5.108 50 10 biogenic JKCAMM O=C1C[C@@H](c2ccccc2Br)c2c(c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096115847 569734868 /nfs/dbraw/zinc/73/48/68/569734868.db2.gz IPCNHNKEHXRZQS-AWEZNQCLSA-N -1 1 479.282 5.075 50 10 biogenic JKCAMM Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000100702296 569767203 /nfs/dbraw/zinc/76/72/03/569767203.db2.gz AOXNHDAMKHFIOZ-REWPJTCUSA-N -1 1 459.760 6.903 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2[O-])cc1OC ZINC000239433067 570052060 /nfs/dbraw/zinc/05/20/60/570052060.db2.gz XEFWSPCECPMBCB-DVECYGJZSA-N -1 1 481.346 5.414 50 10 JKCAMM COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1 ZINC000248257870 570076859 /nfs/dbraw/zinc/07/68/59/570076859.db2.gz UIYHQXLOTCBVOF-OFNKIYASSA-N -1 1 485.765 6.059 50 10 JKCAMM Cc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000001237385 194078134 /nfs/dbraw/zinc/07/81/34/194078134.db2.gz VNJJARMKEXNMBM-UHFFFAOYSA-N -1 1 451.935 5.282 50 10 JKCAMM O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc2ccccc2c1 ZINC000001415357 194117219 /nfs/dbraw/zinc/11/72/19/194117219.db2.gz CMQYXOJMBRLDEY-UHFFFAOYSA-N -1 1 464.593 6.107 50 10 JKCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000002962202 194182540 /nfs/dbraw/zinc/18/25/40/194182540.db2.gz JNDZVQMHWURXJH-FRKPEAEDSA-N -1 1 474.818 6.113 50 10 JKCAMM CCc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1 ZINC000003268953 194257656 /nfs/dbraw/zinc/25/76/56/194257656.db2.gz GUSFOWPTXLKQAB-UHFFFAOYSA-N -1 1 492.647 6.670 50 10 JKCAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000009010258 194503624 /nfs/dbraw/zinc/50/36/24/194503624.db2.gz CVMHTPLQLAAOPQ-XYGWBWBKSA-N -1 1 489.019 5.757 50 10 JKCAMM Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc([O-])c(O)c2)sc2c3CCCC2)cc1 ZINC000012602527 195047689 /nfs/dbraw/zinc/04/76/89/195047689.db2.gz WUPPTGXBWOPXTM-UHFFFAOYSA-N -1 1 478.595 5.021 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000012285361 521958176 /nfs/dbraw/zinc/95/81/76/521958176.db2.gz MDSCNWOCJDYGAR-VIZOYTHASA-N -1 1 460.791 5.723 50 10 JKCAMM COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000033333054 521960896 /nfs/dbraw/zinc/96/08/96/521960896.db2.gz PPLGCCHOKBFWOM-ACAGNQJTSA-N -1 1 485.776 5.331 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000012285301 521977286 /nfs/dbraw/zinc/97/72/86/521977286.db2.gz CNCATDBTPDCNCB-KQWNVCNZSA-N -1 1 469.628 5.690 50 10 JKCAMM CC[C@@H](C)c1ccccc1OCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000013940146 522436292 /nfs/dbraw/zinc/43/62/92/522436292.db2.gz DBCPPYLKIUPANR-KELUXRKGSA-N -1 1 478.035 5.809 50 10 JKCAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000036056879 523843246 /nfs/dbraw/zinc/84/32/46/523843246.db2.gz FGEICFJXYMMLJN-LJKQEARRSA-N -1 1 491.569 5.539 50 10 JKCAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000008589999 523843997 /nfs/dbraw/zinc/84/39/97/523843997.db2.gz FRLVTHSQQRTALA-SWYRRKHMSA-N -1 1 481.017 6.284 50 10 JKCAMM Cc1ccc(C(=O)CC(=CC(=C2SC(=S)[N-]C2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000016291749 526018963 /nfs/dbraw/zinc/01/89/63/526018963.db2.gz AXRZAHONIACUAZ-GKEUFVCCSA-N -1 1 469.631 6.519 50 10 JKCAMM Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000033420410 526092407 /nfs/dbraw/zinc/09/24/07/526092407.db2.gz MUEXSBZJBRTIHR-YVLHZVERSA-N -1 1 497.935 5.256 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025579390 526342950 /nfs/dbraw/zinc/34/29/50/526342950.db2.gz GJJCJUAAIXWKPV-UGKGYDQZSA-N -1 1 490.184 6.704 50 10 JKCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000000843490 553794288 /nfs/dbraw/zinc/79/42/88/553794288.db2.gz ZTQYUBZLFPVFND-UHFFFAOYSA-N -1 1 483.980 5.379 50 10 JKCAMM Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc(C)cc(C)n3)c(O)c3ccccc23)cc1 ZINC000000856437 553800338 /nfs/dbraw/zinc/80/03/38/553800338.db2.gz AGMSNBDMTHUJOV-UHFFFAOYSA-N -1 1 451.573 5.213 50 10 JKCAMM O=C1[N-]C(=S)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001265564 553938604 /nfs/dbraw/zinc/93/86/04/553938604.db2.gz GRNTYQGMZQBFAB-UCQKPKSFSA-N -1 1 469.541 5.496 50 10 JKCAMM CCOc1ccc(-n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc2-c2ccccc2Cl)cc1 ZINC000001273703 553939404 /nfs/dbraw/zinc/93/94/04/553939404.db2.gz BOMLTZGTIFORHW-UHFFFAOYSA-N -1 1 481.961 5.373 50 10 JKCAMM COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000001896577 554001643 /nfs/dbraw/zinc/00/16/43/554001643.db2.gz YLGGDAUKVCWTPA-UAPYWLNTSA-N -1 1 457.576 5.663 50 10 JKCAMM Cc1ccc(C(=O)CC(=CC(=C2SC(=S)[N-]C2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000002146297 554066696 /nfs/dbraw/zinc/06/66/96/554066696.db2.gz AXRZAHONIACUAZ-FUXRSKSBSA-N -1 1 469.631 6.519 50 10 JKCAMM O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002370942 554170298 /nfs/dbraw/zinc/17/02/98/554170298.db2.gz VTZGPPSFOWXOEH-PXLXIMEGSA-N -1 1 488.012 5.570 50 10 JKCAMM CC1(C)Cc2c(cc(-c3cccc(Br)c3)n2-c2cc(Cl)c([O-])c(Cl)c2)C(=O)C1 ZINC000002512753 554231765 /nfs/dbraw/zinc/23/17/65/554231765.db2.gz PYJRHBGFVGGUFQ-UHFFFAOYSA-N -1 1 479.201 7.074 50 10 JKCAMM Cc1cc(C(=O)CC(=C([O-])c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccc(C)cc1 ZINC000002616058 554241055 /nfs/dbraw/zinc/24/10/55/554241055.db2.gz BXJZIACKAMLYBN-RUZDIDTESA-N -1 1 478.617 7.252 50 10 JKCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000002874130 554397178 /nfs/dbraw/zinc/39/71/78/554397178.db2.gz XDHHHMWDRWVBLY-RCCKNPSSSA-N -1 1 457.617 5.329 50 10 JKCAMM CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)cc1 ZINC000005949888 554498615 /nfs/dbraw/zinc/49/86/15/554498615.db2.gz YQEQYDDKDZALRX-PKAZHMFMSA-N -1 1 453.586 6.076 50 10 JKCAMM COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Cl)ccc2[O-])cc1 ZINC000006924966 554562433 /nfs/dbraw/zinc/56/24/33/554562433.db2.gz IYUSUDFJUNFIKI-NZQKXSOJSA-N -1 1 485.765 6.059 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000008426558 554581613 /nfs/dbraw/zinc/58/16/13/554581613.db2.gz MENHLZFUQHUXJM-DENIHFKCSA-N -1 1 455.739 6.050 50 10 JKCAMM COC(=O)c1cc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl ZINC000008440474 554591128 /nfs/dbraw/zinc/59/11/28/554591128.db2.gz OPWSTUPNEPNFIS-MDWZMJQESA-N -1 1 473.143 5.805 50 10 JKCAMM CCN(CC)c1ccc(C=C2SC(=S)[N-]C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000008451306 554597246 /nfs/dbraw/zinc/59/72/46/554597246.db2.gz KJLYCDCPRYLSPG-DJKKODMXSA-N -1 1 467.443 5.907 50 10 JKCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000008742688 554645382 /nfs/dbraw/zinc/64/53/82/554645382.db2.gz AUKHLGHUBGRGON-UHFFFAOYSA-N -1 1 494.532 5.474 50 10 JKCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000008742688 554645386 /nfs/dbraw/zinc/64/53/86/554645386.db2.gz AUKHLGHUBGRGON-UHFFFAOYSA-N -1 1 494.532 5.474 50 10 JKCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000008742688 554645388 /nfs/dbraw/zinc/64/53/88/554645388.db2.gz AUKHLGHUBGRGON-UHFFFAOYSA-N -1 1 494.532 5.474 50 10 JKCAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000008859955 554756380 /nfs/dbraw/zinc/75/63/80/554756380.db2.gz HQPFVGJRZQQOHH-UHFFFAOYSA-N -1 1 473.557 5.171 50 10 JKCAMM O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009089739 554890695 /nfs/dbraw/zinc/89/06/95/554890695.db2.gz GAXLVTGSEFMAKE-JJIBRWJFSA-N -1 1 467.594 5.307 50 10 JKCAMM Cn1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000009309188 555083608 /nfs/dbraw/zinc/08/36/08/555083608.db2.gz HLUOSAMOSMCAEV-IUXPMGMMSA-N -1 1 462.383 5.031 50 10 JKCAMM CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000009510813 555300435 /nfs/dbraw/zinc/30/04/35/555300435.db2.gz BGOZRZUMDOFBAE-JFENUBAZSA-N -1 1 482.454 6.454 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000019893461 555531573 /nfs/dbraw/zinc/53/15/73/555531573.db2.gz RZQWINOZPJXTGQ-OXJNMPFZSA-N -1 1 490.151 5.753 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000019893459 555531626 /nfs/dbraw/zinc/53/16/26/555531626.db2.gz RZQWINOZPJXTGQ-JXFKEZNVSA-N -1 1 490.151 5.753 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616646 555536532 /nfs/dbraw/zinc/53/65/32/555536532.db2.gz AIUAWDOZDBKOTF-UZLBHIALSA-N -1 1 461.768 6.112 50 10 JKCAMM Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000020030452 555605594 /nfs/dbraw/zinc/60/55/94/555605594.db2.gz FANNBRWALAGFOX-YBFXNURJSA-N -1 1 469.925 5.081 50 10 JKCAMM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl ZINC000013809991 555624703 /nfs/dbraw/zinc/62/47/03/555624703.db2.gz ABSNMGWRYXZXCF-YBEGLDIGSA-N -1 1 487.320 5.623 50 10 JKCAMM O=C([O-])c1cccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1 ZINC000013898874 555645488 /nfs/dbraw/zinc/64/54/88/555645488.db2.gz KLAMRSKPYZXWSM-RVDMUPIBSA-N -1 1 486.336 5.154 50 10 JKCAMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000015224895 555886414 /nfs/dbraw/zinc/88/64/14/555886414.db2.gz RNQMYWRJMCETSB-ULJHMMPZSA-N -1 1 471.944 5.225 50 10 JKCAMM Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)cc1C ZINC000015800456 556008800 /nfs/dbraw/zinc/00/88/00/556008800.db2.gz QZGDBFGBWYSCFT-MFOYZWKCSA-N -1 1 454.400 5.557 50 10 JKCAMM [O-]c1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025901673 556238436 /nfs/dbraw/zinc/23/84/36/556238436.db2.gz SMXFFUBYUKAKJJ-JYFHCDHNSA-N -1 1 471.354 6.550 50 10 JKCAMM CN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793024 556371778 /nfs/dbraw/zinc/37/17/78/556371778.db2.gz RXWVOHLNXJQMEO-UHFFFAOYSA-N -1 1 489.877 6.595 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc21 ZINC000019793056 556372338 /nfs/dbraw/zinc/37/23/38/556372338.db2.gz UVTHYCTVTXUZAC-UHFFFAOYSA-N -1 1 483.486 6.640 50 10 JKCAMM CCN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc21 ZINC000019793054 556372345 /nfs/dbraw/zinc/37/23/45/556372345.db2.gz UBFIBEGIQJUBEJ-UHFFFAOYSA-N -1 1 499.485 6.340 50 10 JKCAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000008674145 562950492 /nfs/dbraw/zinc/95/04/92/562950492.db2.gz FRLVTHSQQRTALA-LZCXECNNSA-N -1 1 481.017 6.284 50 10 aggregator JKCAMM O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)ccc1Cl ZINC000033330365 569624264 /nfs/dbraw/zinc/62/42/64/569624264.db2.gz ZONAFSPRNLPYDE-YBEGLDIGSA-N -1 1 470.865 5.109 50 10 JKCAMM O=C1/C(=C/c2ccc([O-])c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000083326600 569708733 /nfs/dbraw/zinc/70/87/33/569708733.db2.gz RSECMZDIKNHUDN-AUWJEWJLSA-N -1 1 460.296 5.579 50 10 JKCAMM CC(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114575 569733616 /nfs/dbraw/zinc/73/36/16/569733616.db2.gz XEWBRUCWQHDOKF-KRWDZBQOSA-N -1 1 488.492 5.053 50 10 biogenic JKCAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)c2ccccc12 ZINC000096115520 569734453 /nfs/dbraw/zinc/73/44/53/569734453.db2.gz KGMCBRZIYLYNOT-GOSISDBHSA-N -1 1 496.471 5.180 50 10 biogenic JKCAMM CCCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)ccc1Cl ZINC000101114055 569783375 /nfs/dbraw/zinc/78/33/75/569783375.db2.gz VBSOTPPRBXPGGA-LDADJPATSA-N -1 1 476.758 5.388 50 10 JKCAMM CCCCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)ccc1Cl ZINC000101114103 569783390 /nfs/dbraw/zinc/78/33/90/569783390.db2.gz ZIUITFCQIKSDKL-CPNJWEJPSA-N -1 1 490.785 5.778 50 10 JKCAMM