smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)C(=O)NC2=S)c1 ZINC000001203293 132242122 /nfs/dbraw/zinc/24/21/22/132242122.db2.gz PUSXFHHDMRASKV-MHWRWJLKSA-N 0 1 412.467 3.021 50 10 HGCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000004738854 132286364 /nfs/dbraw/zinc/28/63/64/132286364.db2.gz OXRURXJZVIVVPK-LDADJPATSA-N 0 1 409.511 3.378 50 10 HGCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000012363813 132359024 /nfs/dbraw/zinc/35/90/24/132359024.db2.gz ZWQLYHMPEUMPOB-RGEXLXHISA-N 0 1 409.511 3.373 50 10 HGCAMN CN1CCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CCN(C)CC3)ccc21 ZINC000022733595 557807521 /nfs/dbraw/zinc/80/75/21/557807521.db2.gz OWJYJXBZUBPQNN-JOCHJYFZSA-N 0 1 412.965 3.051 50 10 HGCAMN COc1ccc(-c2noc(CN3CCN(Cc4cc(C)c(C)cc4O)CC3)n2)cc1 ZINC000023269858 559077800 /nfs/dbraw/zinc/07/78/00/559077800.db2.gz AMXNZLPPTPDKHZ-UHFFFAOYSA-N 0 1 408.502 3.385 50 10 HGCAMN CCOc1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000004908839 559201110 /nfs/dbraw/zinc/20/11/10/559201110.db2.gz NNFGSPRFOIRTAS-UYRXBGFRSA-N 0 1 405.410 3.131 50 10 HGCAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1F ZINC000005098963 559244725 /nfs/dbraw/zinc/24/47/25/559244725.db2.gz YYCBRYMMDCGUEJ-HXUWFJFHSA-N 0 1 421.538 3.016 50 10 HGCAMN CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c([O-])c2[C@@H]([NH+]2CCCCC2)[C@@H]1O ZINC000005118968 559247409 /nfs/dbraw/zinc/24/74/09/559247409.db2.gz LTAZBMAAZPCUIX-HRQOKUPJSA-N 0 1 414.546 3.477 50 10 biogenic HGCAMN CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n[nH]2)cc1 ZINC000051315720 560856094 /nfs/dbraw/zinc/85/60/94/560856094.db2.gz YSYLSEWEOJEZDI-UHFFFAOYSA-N 0 1 406.486 3.446 50 10 HGCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc4c(c2)OCO4)C1)CCC3 ZINC000012296341 568462558 /nfs/dbraw/zinc/46/25/58/568462558.db2.gz QUVABAIZQJMEOE-OAHLLOKOSA-N 0 1 404.422 3.463 50 10 biogenic HGCAMN CCCOc1ccc(/C=C2\C(=O)NN(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000002907322 568815282 /nfs/dbraw/zinc/81/52/82/568815282.db2.gz CQYJEUICUPQCAC-QGOAFFKASA-N 0 1 424.453 3.122 50 10 HGCAMN CCOC(=O)C1C(CN(C)Cc2ccc(N(C)C)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057270708 568825505 /nfs/dbraw/zinc/82/55/05/568825505.db2.gz ONVOVSIOPMECIP-QFIPXVFZSA-N 0 1 422.529 3.056 50 10 HGCAMN COC(=O)c1ccc(-n2c(C)cc([C@@H]3NC(=N)Nc4nc5ccccc5n43)c2C)cc1 ZINC000012619539 568872475 /nfs/dbraw/zinc/87/24/75/568872475.db2.gz OUGIDVRHKJHYPC-HXUWFJFHSA-N 0 1 414.469 3.327 50 10 HGCAMN COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000102801930 569041710 /nfs/dbraw/zinc/04/17/10/569041710.db2.gz GLFJCAHYRICIAR-PCJMVEANSA-N 0 1 424.503 3.229 50 10 HGCAMN COc1ccc(C=C2SC(=S)N(C3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000102801930 569041711 /nfs/dbraw/zinc/04/17/11/569041711.db2.gz GLFJCAHYRICIAR-PCJMVEANSA-N 0 1 424.503 3.229 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 ZINC000008798845 571120423 /nfs/dbraw/zinc/12/04/23/571120423.db2.gz FKMLADKNPHXPFS-OAQYLSRUSA-N 0 1 401.576 3.267 50 10 HGCAMN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008801056 571120661 /nfs/dbraw/zinc/12/06/61/571120661.db2.gz VVNLKFLSYHBDFH-QFIPXVFZSA-N 0 1 413.587 3.411 50 10 HGCAMN COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000001135619 132238544 /nfs/dbraw/zinc/23/85/44/132238544.db2.gz ASMXXGAAHJTTBA-GXDHUFHOSA-N 0 1 416.886 3.497 50 10 HGCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O ZINC000004599687 132279927 /nfs/dbraw/zinc/27/99/27/132279927.db2.gz ZPZWFUZBURBOIC-XYOKQWHBSA-N 0 1 402.859 3.194 50 10 HGCAMN O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000000974177 527081470 /nfs/dbraw/zinc/08/14/70/527081470.db2.gz HZQIQKXLEVELLW-LDADJPATSA-N 0 1 417.387 3.003 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1O ZINC000004591783 536597923 /nfs/dbraw/zinc/59/79/23/536597923.db2.gz IDSUIGPTRYQWMF-XYOKQWHBSA-N 0 1 402.859 3.194 50 10 HGCAMN CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 ZINC000002920179 557772206 /nfs/dbraw/zinc/77/22/06/557772206.db2.gz AWGKUUAFVCSBPX-HNNXBMFYSA-N 0 1 408.454 3.407 50 10 HGCAMN Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1C ZINC000002954480 557772928 /nfs/dbraw/zinc/77/29/28/557772928.db2.gz ORTLFPUSNHPXOI-UHFFFAOYSA-N 0 1 403.438 3.087 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 ZINC000004330646 558262612 /nfs/dbraw/zinc/26/26/12/558262612.db2.gz NZUFZEKIJKUPCB-JOCHJYFZSA-N 0 1 408.546 3.261 50 10 HGCAMN COc1ccc2ccc(O)c(CN3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 ZINC000022788266 558511599 /nfs/dbraw/zinc/51/15/99/558511599.db2.gz AOUHWULWMVOYCP-UHFFFAOYSA-N 0 1 411.546 3.074 50 10 HGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1ccccc1Cl ZINC000013661254 558851838 /nfs/dbraw/zinc/85/18/38/558851838.db2.gz IRTXMMCNJORYLN-BOPFTXTBSA-N 0 1 409.829 3.445 50 10 HGCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)CC2)cc1 ZINC000055211804 558876169 /nfs/dbraw/zinc/87/61/69/558876169.db2.gz ASOPUJDGHOQKGW-JOCHJYFZSA-N 0 1 423.557 3.277 50 10 HGCAMN CN1CCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000067604317 558988387 /nfs/dbraw/zinc/98/83/87/558988387.db2.gz BSMWPVSVENXQGG-UHFFFAOYSA-N 0 1 414.358 3.224 50 10 HGCAMN CCOC(=O)c1c(C)[nH]c(C=C2C(=O)NC(=O)NC2=O)c1Cc1cccc(Cl)c1 ZINC000011690113 559178298 /nfs/dbraw/zinc/17/82/98/559178298.db2.gz RXJUFKRBAOWAIU-UHFFFAOYSA-N 0 1 415.833 3.334 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000002218394 569311835 /nfs/dbraw/zinc/31/18/35/569311835.db2.gz MYEPPBJIQSGJQI-SILNSSARSA-N 0 1 406.486 3.150 50 10 HGCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000002218394 569311836 /nfs/dbraw/zinc/31/18/36/569311836.db2.gz MYEPPBJIQSGJQI-SILNSSARSA-N 0 1 406.486 3.150 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1C ZINC000008964161 571190818 /nfs/dbraw/zinc/19/08/18/571190818.db2.gz JLEWJOUPNZCRQS-QHCPKHFHSA-N 0 1 420.557 3.188 50 10 HGCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000004672884 132281905 /nfs/dbraw/zinc/28/19/05/132281905.db2.gz JCVMIODBMRRFKC-LCYFTJDESA-N 0 1 405.248 3.420 50 10 HGCAMN COc1ccc(N2CCN(C(=O)c3n[nH]c4c3CCc3cc(OC)ccc3-4)CC2)cc1 ZINC000009728478 536690671 /nfs/dbraw/zinc/69/06/71/536690671.db2.gz NBPIEJJZDBSHCY-UHFFFAOYSA-N 0 1 418.497 3.155 50 10 HGCAMN O=C(Nc1cccc(F)c1)c1coc(CN2CCN(Cc3ccccc3O)CC2)n1 ZINC000034678078 557366031 /nfs/dbraw/zinc/36/60/31/557366031.db2.gz MKQVAHJYFAAWFS-UHFFFAOYSA-N 0 1 410.449 3.089 50 10 HGCAMN CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCN(C)CC3)ccc21 ZINC000022733735 557807575 /nfs/dbraw/zinc/80/75/75/557807575.db2.gz IZTMWYURSRRJIJ-QFIPXVFZSA-N 0 1 412.965 3.051 50 10 HGCAMN CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Cl)N3CCN(C)CC3)ccc21 ZINC000022733738 557807674 /nfs/dbraw/zinc/80/76/74/557807674.db2.gz IZTMWYURSRRJIJ-JOCHJYFZSA-N 0 1 412.965 3.051 50 10 HGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000015012288 558700761 /nfs/dbraw/zinc/70/07/61/558700761.db2.gz GXLYVSZTOVKCLU-ZROIWOOFSA-N 0 1 405.248 3.420 50 10 HGCAMN Cc1cccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 ZINC000013635779 558849396 /nfs/dbraw/zinc/84/93/96/558849396.db2.gz CWEAJHXLLCZARC-ZHZULCJRSA-N 0 1 419.437 3.131 50 10 HGCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000100257862 559133496 /nfs/dbraw/zinc/13/34/96/559133496.db2.gz KRXOQSCHUWIUHG-MOSHPQCFSA-N 0 1 412.515 3.272 50 10 HGCAMN CCc1cc(CN2CCN(CC(=O)N3CCCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000040019901 568609823 /nfs/dbraw/zinc/60/98/23/568609823.db2.gz CWWNJNDFMLHCTN-UHFFFAOYSA-N 0 1 401.595 3.382 50 10 HGCAMN Cn1nccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096114383 568693834 /nfs/dbraw/zinc/69/38/34/568693834.db2.gz WVDWHQWISUOYIC-LBPRGKRZSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN Cn1nccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114383 568693838 /nfs/dbraw/zinc/69/38/38/568693838.db2.gz WVDWHQWISUOYIC-LBPRGKRZSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000005867643 568826995 /nfs/dbraw/zinc/82/69/95/568826995.db2.gz NPEOHJILZXCMBF-XMHGGMMESA-N 0 1 403.438 3.202 50 10 HGCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000001117376 569277332 /nfs/dbraw/zinc/27/73/32/569277332.db2.gz HDJWRKMAYJVEHT-XMHGGMMESA-N 0 1 414.417 3.376 50 10 HGCAMN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 ZINC000008798854 571120464 /nfs/dbraw/zinc/12/04/64/571120464.db2.gz HEKWJGKMNKZMTA-JOCHJYFZSA-N 0 1 417.575 3.049 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000008799046 571120500 /nfs/dbraw/zinc/12/05/00/571120500.db2.gz UKZLEQMHYJHSLG-HSZRJFAPSA-N 0 1 413.587 3.493 50 10 HGCAMN COc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000008829858 571122829 /nfs/dbraw/zinc/12/28/29/571122829.db2.gz LRPXOVKZJSLAFG-ATVHPVEESA-N 0 1 418.405 3.277 50 10 HGCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CNc1cccc(-c2ccc(CO)o2)c1 ZINC000009306549 571246702 /nfs/dbraw/zinc/24/67/02/571246702.db2.gz ZLEKVUIVJYSTCT-LDADJPATSA-N 0 1 409.442 3.146 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C ZINC000000654410 132230098 /nfs/dbraw/zinc/23/00/98/132230098.db2.gz HJZZGVLSAQIZTE-OQLLNIDSSA-N 0 1 418.316 3.236 50 10 HGCAMN CCOc1ccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004791573 132288718 /nfs/dbraw/zinc/28/87/18/132288718.db2.gz SZWCFDONZOYIQM-UHFFFAOYSA-N 0 1 412.534 3.428 50 10 HGCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000006418020 132310871 /nfs/dbraw/zinc/31/08/71/132310871.db2.gz NELQURVMFUINRX-VKAVYKQESA-N 0 1 408.458 3.120 50 10 HGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000009135594 536397501 /nfs/dbraw/zinc/39/75/01/536397501.db2.gz WPGARFJFHLDYOA-QFIPXVFZSA-N 0 1 424.520 3.100 50 10 HGCAMN O=C1NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1 ZINC000001069289 557168472 /nfs/dbraw/zinc/16/84/72/557168472.db2.gz SUBNKBCWUDDWHQ-UHFFFAOYSA-N 0 1 419.393 3.039 50 10 aggregator HGCAMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1 ZINC000001202118 557239792 /nfs/dbraw/zinc/23/97/92/557239792.db2.gz IKMAPAOHJCZNPZ-UHFFFAOYSA-N 0 1 409.200 3.461 50 10 HGCAMN CC(C)(C)c1ccc(OCCOc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000002948240 557773880 /nfs/dbraw/zinc/77/38/80/557773880.db2.gz UCCHTZMIGMGATI-UHFFFAOYSA-N 0 1 408.454 3.191 50 10 HGCAMN Cc1ccc(C)c(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)c1 ZINC000002978237 557776980 /nfs/dbraw/zinc/77/69/80/557776980.db2.gz VPJWDOMMZJSSDG-UHFFFAOYSA-N 0 1 403.438 3.087 50 10 HGCAMN CN1CCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CCN(C)CC3)ccc21 ZINC000022733592 557807537 /nfs/dbraw/zinc/80/75/37/557807537.db2.gz OWJYJXBZUBPQNN-QFIPXVFZSA-N 0 1 412.965 3.051 50 10 HGCAMN Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C ZINC000022733748 557807626 /nfs/dbraw/zinc/80/76/26/557807626.db2.gz ZZTJNTHLLYBNDR-DEOSSOPVSA-N 0 1 406.574 3.014 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1C ZINC000004330588 558262261 /nfs/dbraw/zinc/26/22/61/558262261.db2.gz GJNCKXLODBAPCP-JOCHJYFZSA-N 0 1 408.546 3.261 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000014010972 558613265 /nfs/dbraw/zinc/61/32/65/558613265.db2.gz UGKDOANFRSWTEM-DHDCSXOGSA-N 0 1 416.275 3.257 50 10 HGCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(OC)c1 ZINC000015010453 558700197 /nfs/dbraw/zinc/70/01/97/558700197.db2.gz DZLNEXPTOYAHPA-QGOAFFKASA-N 0 1 409.511 3.373 50 10 HGCAMN CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2 ZINC000015013149 558701094 /nfs/dbraw/zinc/70/10/94/558701094.db2.gz XMWDBXMKVCSXBB-LZYBPNLTSA-N 0 1 424.478 3.262 50 10 HGCAMN CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c([O-])c2[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000005118969 559247461 /nfs/dbraw/zinc/24/74/61/559247461.db2.gz LTAZBMAAZPCUIX-KPVVVLSSSA-N 0 1 414.546 3.477 50 10 biogenic HGCAMN CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005349647 560571206 /nfs/dbraw/zinc/57/12/06/560571206.db2.gz MOBAYNZXIIPJHM-NRFANRHFSA-N 0 1 424.545 3.043 50 10 HGCAMN CCOC(=O)COc1ccccc1/C=C1\C(=O)NN(c2ccc(C)c(Cl)c2)C1=O ZINC000000678268 568461432 /nfs/dbraw/zinc/46/14/32/568461432.db2.gz UPXQFDFSISDICD-MHWRWJLKSA-N 0 1 414.845 3.052 50 10 HGCAMN CCOc1c(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000033406123 568514468 /nfs/dbraw/zinc/51/44/68/568514468.db2.gz UJSOKXDFFXYFAB-NTEUORMPSA-N 0 1 417.259 3.318 50 10 HGCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000012416816 568718151 /nfs/dbraw/zinc/71/81/51/568718151.db2.gz LHFTZUAKVDSOND-FBKCMUNRSA-N 0 1 401.513 3.267 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCN(C)CC2)cc1 ZINC000022589399 568771276 /nfs/dbraw/zinc/77/12/76/568771276.db2.gz PCHIDKASECONBV-KENPWYROSA-N 0 1 424.633 3.374 50 10 HGCAMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1c(Cl)cccc1Cl ZINC000001439582 568965770 /nfs/dbraw/zinc/96/57/70/568965770.db2.gz QDXNCUBKDYRPID-UHFFFAOYSA-N 0 1 421.236 3.330 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1OC ZINC000002283580 569364382 /nfs/dbraw/zinc/36/43/82/569364382.db2.gz CWERRWFAMMVYKZ-DTQAZKPQSA-N 0 1 414.458 3.065 50 10 HGCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964165 571190856 /nfs/dbraw/zinc/19/08/56/571190856.db2.gz JQTPAOYFPCKOGA-QFIPXVFZSA-N 0 1 420.557 3.188 50 10 HGCAMN CCCCN1C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)C(=O)[N-]C1=S ZINC000009359584 571251358 /nfs/dbraw/zinc/25/13/58/571251358.db2.gz QIHYHZOXHGFGNY-NBVRZTHBSA-N 0 1 400.548 3.423 50 10 HGCAMN CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2 ZINC000001161123 132239732 /nfs/dbraw/zinc/23/97/32/132239732.db2.gz XMWDBXMKVCSXBB-PXNMLYILSA-N 0 1 424.478 3.262 50 10 HGCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000004723784 132285935 /nfs/dbraw/zinc/28/59/35/132285935.db2.gz GNVXUYWHOOZUMC-NTEUORMPSA-N 0 1 405.248 3.420 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)c3cccc4ncccc43)CC2)cc1 ZINC000032765152 524424330 /nfs/dbraw/zinc/42/43/30/524424330.db2.gz XYRKPSFIONKVJI-UHFFFAOYSA-N 0 1 404.514 3.186 50 10 HGCAMN CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 ZINC000002920177 557772030 /nfs/dbraw/zinc/77/20/30/557772030.db2.gz AWGKUUAFVCSBPX-OAHLLOKOSA-N 0 1 408.454 3.407 50 10 HGCAMN Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C ZINC000022733751 557807680 /nfs/dbraw/zinc/80/76/80/557807680.db2.gz ZZTJNTHLLYBNDR-XMMPIXPASA-N 0 1 406.574 3.014 50 10 HGCAMN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000004330694 558262602 /nfs/dbraw/zinc/26/26/02/558262602.db2.gz GOLKIDJECKLHOS-QFIPXVFZSA-N 0 1 424.545 3.043 50 10 HGCAMN CCOc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc(Br)c1O ZINC000016225369 558779506 /nfs/dbraw/zinc/77/95/06/558779506.db2.gz OXFZIJOIRDGWIL-ZSOIEALJSA-N 0 1 417.259 3.323 50 10 HGCAMN CCOC(=O)COc1ccccc1/C=C1/C(=O)NN(c2ccc(C)c(Cl)c2)C1=O ZINC000017150113 558824288 /nfs/dbraw/zinc/82/42/88/558824288.db2.gz UPXQFDFSISDICD-YBEGLDIGSA-N 0 1 414.845 3.052 50 10 HGCAMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1OC ZINC000013775339 558868263 /nfs/dbraw/zinc/86/82/63/558868263.db2.gz CEWKFKPYOFPBLN-GDNBJRDFSA-N 0 1 414.389 3.354 50 10 HGCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)CCOc4ccccc4)C3)CC2)cc1 ZINC000055211805 558876229 /nfs/dbraw/zinc/87/62/29/558876229.db2.gz ASOPUJDGHOQKGW-QFIPXVFZSA-N 0 1 423.557 3.277 50 10 HGCAMN CCc1cc(=O)oc2c(C)c([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc12 ZINC000409414926 559251046 /nfs/dbraw/zinc/25/10/46/559251046.db2.gz ZKQGTRNDKUTJSQ-WBVHZDCISA-N 0 1 406.482 3.150 50 10 biogenic HGCAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCCC2)cc1 ZINC000005340797 560567737 /nfs/dbraw/zinc/56/77/37/560567737.db2.gz YXLZQQBHNVNLCJ-JOCHJYFZSA-N 0 1 412.578 3.012 50 10 HGCAMN CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCN2C ZINC000008800653 560639456 /nfs/dbraw/zinc/63/94/56/560639456.db2.gz IJRZCIZZVUXRJO-QHCPKHFHSA-N 0 1 413.587 3.139 50 10 HGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000001175990 560727619 /nfs/dbraw/zinc/72/76/19/560727619.db2.gz QRCISJOJWBQDAV-UHFFFAOYSA-N 0 1 418.808 3.206 50 10 HGCAMN COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+]4CCOCC4)c3oc2=O)cc1OC ZINC000020605060 568636332 /nfs/dbraw/zinc/63/63/32/568636332.db2.gz OVSYFBCWGPQAPC-UHFFFAOYSA-N 0 1 411.454 3.323 50 10 HGCAMN COCCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000096254765 568712013 /nfs/dbraw/zinc/71/20/13/568712013.db2.gz ITRDUIIWQRANDL-XDHOZWIPSA-N 0 1 411.527 3.199 50 10 HGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000096564024 568760554 /nfs/dbraw/zinc/76/05/54/568760554.db2.gz IUYGCYVYZMBTPC-ATVHPVEESA-N 0 1 424.913 3.285 50 10 HGCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 ZINC000015228717 568821012 /nfs/dbraw/zinc/82/10/12/568821012.db2.gz HUOZREGELQUJHO-PDGQHHTCSA-N 0 1 407.426 3.153 50 10 HGCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000001184101 568822070 /nfs/dbraw/zinc/82/20/70/568822070.db2.gz IPXSHLQHRWQXMK-DHZHZOJOSA-N 0 1 421.247 3.125 50 10 HGCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 ZINC000038169317 568974206 /nfs/dbraw/zinc/97/42/06/568974206.db2.gz YVIMYHFZDADHDL-YWXUCKCNSA-N 0 1 405.458 3.116 50 10 biogenic HGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000013007997 569406766 /nfs/dbraw/zinc/40/67/66/569406766.db2.gz UCVVBXYPTIVXMJ-JOCHJYFZSA-N 0 1 424.520 3.100 50 10 HGCAMN CN1CCc2cc([C@H](CNS(=O)(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000008801123 571120754 /nfs/dbraw/zinc/12/07/54/571120754.db2.gz VHIHSFYSJVUQTM-QFIPXVFZSA-N 0 1 417.550 3.075 50 10 HGCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008964193 571191086 /nfs/dbraw/zinc/19/10/86/571191086.db2.gz UIIIKFBGTCUHAL-QHCPKHFHSA-N 0 1 420.557 3.188 50 10 HGCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000002916341 132259555 /nfs/dbraw/zinc/25/95/55/132259555.db2.gz YKVUFXTZYASLHZ-RIYZIHGNSA-N 0 1 402.859 3.276 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000009135516 132336265 /nfs/dbraw/zinc/33/62/65/132336265.db2.gz IJMLJYWGGOVIIX-HSZRJFAPSA-N 0 1 420.557 3.269 50 10 HGCAMN COc1cc(Cl)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000009259399 132337713 /nfs/dbraw/zinc/33/77/13/132337713.db2.gz CCJDQMBISQQCMV-QPEQYQDCSA-N 0 1 420.849 3.328 50 10 HGCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000020458663 527548977 /nfs/dbraw/zinc/54/89/77/527548977.db2.gz LHFTZUAKVDSOND-KWZJRMENSA-N 0 1 401.513 3.267 50 10 HGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCCC3)ccc21 ZINC000009138393 536397419 /nfs/dbraw/zinc/39/74/19/536397419.db2.gz CQRCEEHYQUBYJJ-QHCPKHFHSA-N 0 1 420.557 3.351 50 10 HGCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000009311349 536658707 /nfs/dbraw/zinc/65/87/07/536658707.db2.gz UWALREYEVSXYOK-GDNBJRDFSA-N 0 1 417.284 3.289 50 10 HGCAMN COc1ccc(N2CCN(CCc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C)cc1 ZINC000005336279 536697684 /nfs/dbraw/zinc/69/76/84/536697684.db2.gz OVOLWPCBVFFBNB-KRWDZBQOSA-N 0 1 400.519 3.474 50 10 HGCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000002316018 557336732 /nfs/dbraw/zinc/33/67/32/557336732.db2.gz HRDUFPJAENQUSW-YBFXNURJSA-N 0 1 405.410 3.259 50 10 HGCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 ZINC000004330655 558262616 /nfs/dbraw/zinc/26/26/16/558262616.db2.gz UORMODAVEQLWQK-QFIPXVFZSA-N 0 1 408.546 3.261 50 10 HGCAMN COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000013880136 558599518 /nfs/dbraw/zinc/59/95/18/558599518.db2.gz IPZSQZPJCHWHOO-GZTJUZNOSA-N 0 1 409.442 3.449 50 10 HGCAMN COC(=O)c1cc2ccccc2c(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O ZINC000029539804 558716514 /nfs/dbraw/zinc/71/65/14/558716514.db2.gz DGIVGGJBMDBSMG-LJQANCHMSA-N 0 1 423.465 3.398 50 10 HGCAMN O=C1NC(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000017195957 558825426 /nfs/dbraw/zinc/82/54/26/558825426.db2.gz UAXKSXCPTYKXJA-KYYPIKSYSA-N 0 1 406.438 3.111 50 10 HGCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNNc1cccc2ccccc21 ZINC000005218449 560544159 /nfs/dbraw/zinc/54/41/59/560544159.db2.gz NUBZSYOLKYWCSL-LDADJPATSA-N 0 1 404.401 3.058 50 10 HGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000001174916 560727635 /nfs/dbraw/zinc/72/76/35/560727635.db2.gz ABGFAHVDZSYXLF-UHFFFAOYSA-N 0 1 418.808 3.206 50 10 HGCAMN Cn1cc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cn1 ZINC000096115579 568695192 /nfs/dbraw/zinc/69/51/92/568695192.db2.gz FYNQLTFWPOMIQX-ZDUSSCGKSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN Cn1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cn1 ZINC000096115579 568695195 /nfs/dbraw/zinc/69/51/95/568695195.db2.gz FYNQLTFWPOMIQX-ZDUSSCGKSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)o3)sc2c1 ZINC000003667263 568867233 /nfs/dbraw/zinc/86/72/33/568867233.db2.gz HGXMZZKUAKNWTK-UHFFFAOYSA-N 0 1 415.452 3.189 50 10 HGCAMN Cc1ccc(S(=O)(=O)N2CCCN(Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000012850255 569010411 /nfs/dbraw/zinc/01/04/11/569010411.db2.gz YWRPJBVTLDWJDU-UHFFFAOYSA-N 0 1 400.544 3.086 50 10 HGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21 ZINC000013007980 569406866 /nfs/dbraw/zinc/40/68/66/569406866.db2.gz XLFHRRAGIQQMED-JOCHJYFZSA-N 0 1 424.520 3.100 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1C ZINC000008964162 571190915 /nfs/dbraw/zinc/19/09/15/571190915.db2.gz JLEWJOUPNZCRQS-HSZRJFAPSA-N 0 1 420.557 3.188 50 10 HGCAMN COc1ccc(N2CCN(C(=O)CSc3nc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000011132944 132347791 /nfs/dbraw/zinc/34/77/91/132347791.db2.gz LMQZNBIELYQWFH-UHFFFAOYSA-N 0 1 412.515 3.021 50 10 HGCAMN CC(C)(C)c1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1 ZINC000002948238 557773893 /nfs/dbraw/zinc/77/38/93/557773893.db2.gz MADXPRVKVSJNSI-UHFFFAOYSA-N 0 1 408.454 3.191 50 10 HGCAMN CCOc1ccccc1CN1CCN(Cc2cccc(OCC)c2O)C[C@@H]1CCO ZINC000019740416 558261393 /nfs/dbraw/zinc/26/13/93/558261393.db2.gz JOKDJNFXYIZRRF-NRFANRHFSA-N 0 1 414.546 3.258 50 10 HGCAMN COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccccc4F)CC3)CC2)cc1 ZINC000016606348 558796661 /nfs/dbraw/zinc/79/66/61/558796661.db2.gz XYKQOJTXCWEHHW-UHFFFAOYSA-N 0 1 411.521 3.395 50 10 HGCAMN CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c([O-])c2[C@@H]([NH+]2CCCCC2)[C@H]1O ZINC000005118967 559247380 /nfs/dbraw/zinc/24/73/80/559247380.db2.gz LTAZBMAAZPCUIX-WYDOIBIDSA-N 0 1 414.546 3.477 50 10 biogenic HGCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000005647420 560636190 /nfs/dbraw/zinc/63/61/90/560636190.db2.gz KRXOQSCHUWIUHG-DEDYPNTBSA-N 0 1 412.515 3.272 50 10 HGCAMN Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 ZINC000008798898 560638684 /nfs/dbraw/zinc/63/86/84/560638684.db2.gz JWBJGXBOZUVTOP-OAQYLSRUSA-N 0 1 401.576 3.267 50 10 HGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1Cl ZINC000001086712 560727103 /nfs/dbraw/zinc/72/71/03/560727103.db2.gz BASBQJLGHPGMGD-UHFFFAOYSA-N 0 1 400.818 3.067 50 10 HGCAMN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)cc4)C3=O)o2)c1 ZINC000033348836 568514351 /nfs/dbraw/zinc/51/43/51/568514351.db2.gz VMUABXCZPFHGKI-LDADJPATSA-N 0 1 406.369 3.334 50 10 HGCAMN CCOc1ccccc1CN1CCN(Cc2cccc(OCC)c2O)C[C@H]1CCO ZINC000104310314 569008212 /nfs/dbraw/zinc/00/82/12/569008212.db2.gz JOKDJNFXYIZRRF-OAQYLSRUSA-N 0 1 414.546 3.258 50 10 HGCAMN COCC[N@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731505 569212341 /nfs/dbraw/zinc/21/23/41/569212341.db2.gz AFEKFINJFJAMSQ-AZUAARDMSA-N 0 1 400.519 3.212 50 10 biogenic HGCAMN COCC[NH+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731505 569212343 /nfs/dbraw/zinc/21/23/43/569212343.db2.gz AFEKFINJFJAMSQ-AZUAARDMSA-N 0 1 400.519 3.212 50 10 biogenic HGCAMN O=C(COCCc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000089832414 569266883 /nfs/dbraw/zinc/26/68/83/569266883.db2.gz UXMZJAUBAASMLA-HXUWFJFHSA-N 0 1 402.922 3.386 50 10 HGCAMN O=C(COCCc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000089832416 569266926 /nfs/dbraw/zinc/26/69/26/569266926.db2.gz UXMZJAUBAASMLA-FQEVSTJZSA-N 0 1 402.922 3.386 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000002355215 569385314 /nfs/dbraw/zinc/38/53/14/569385314.db2.gz ANHHIAHJNNXTTE-HMMYKYKNSA-N 0 1 424.476 3.289 50 10 HGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21 ZINC000013008005 569406762 /nfs/dbraw/zinc/40/67/62/569406762.db2.gz PILRDTQUXIEKFN-QFIPXVFZSA-N 0 1 424.520 3.100 50 10 HGCAMN CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccc(F)c3)N3CCCC3)ccc21 ZINC000008799104 571120379 /nfs/dbraw/zinc/12/03/79/571120379.db2.gz IPNNOKQEPQWKCU-QFIPXVFZSA-N 0 1 417.550 3.324 50 10 HGCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000001199280 132241894 /nfs/dbraw/zinc/24/18/94/132241894.db2.gz OJQXMOFSXIFCKV-SFQUDFHCSA-N 0 1 410.495 3.488 50 10 HGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)o1 ZINC000008743492 132332982 /nfs/dbraw/zinc/33/29/82/132332982.db2.gz GQJIQJHIDPBCAW-RVDMUPIBSA-N 0 1 417.874 3.441 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000009135501 132336294 /nfs/dbraw/zinc/33/62/94/132336294.db2.gz BVFRRBCKVCTGED-HSZRJFAPSA-N 0 1 420.557 3.269 50 10 HGCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000000979802 527054931 /nfs/dbraw/zinc/05/49/31/527054931.db2.gz QHXRFLHPZVEVOO-YRNVUSSQSA-N 0 1 411.277 3.481 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000011853400 536697314 /nfs/dbraw/zinc/69/73/14/536697314.db2.gz DQQCFIWXZSESLV-UHFFFAOYSA-N 0 1 405.901 3.430 50 10 HGCAMN COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000002711411 557745197 /nfs/dbraw/zinc/74/51/97/557745197.db2.gz GLFJCAHYRICIAR-FEEIMYBTSA-N 0 1 424.503 3.229 50 10 HGCAMN COc1ccc(C=C2SC(=S)N(C3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000002711411 557745198 /nfs/dbraw/zinc/74/51/98/557745198.db2.gz GLFJCAHYRICIAR-FEEIMYBTSA-N 0 1 424.503 3.229 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000014010983 558613289 /nfs/dbraw/zinc/61/32/89/558613289.db2.gz RCZBMURTXUZQQS-QPEQYQDCSA-N 0 1 420.238 3.087 50 10 HGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000015800139 558753974 /nfs/dbraw/zinc/75/39/74/558753974.db2.gz OZYQTYYVJNUVMW-YBEGLDIGSA-N 0 1 407.338 3.314 50 10 HGCAMN CCOc1cc(C=C2C(=O)N(c3nn[nH]n3)N=C2C)ccc1OCCc1ccccc1 ZINC000004682591 558894519 /nfs/dbraw/zinc/89/45/19/558894519.db2.gz BZIJPYXKVAFORO-AQTBWJFISA-N 0 1 418.457 3.026 50 10 HGCAMN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005098960 559244689 /nfs/dbraw/zinc/24/46/89/559244689.db2.gz RUJBSJSWBYABMS-HXUWFJFHSA-N 0 1 417.575 3.185 50 10 HGCAMN Cc1c([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cnn1C ZINC000096114996 568694699 /nfs/dbraw/zinc/69/46/99/568694699.db2.gz HRXQMRZWBAAKBP-CYBMUJFWSA-N 0 1 418.405 3.354 50 10 biogenic HGCAMN Cc1c([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C ZINC000096114996 568694702 /nfs/dbraw/zinc/69/47/02/568694702.db2.gz HRXQMRZWBAAKBP-CYBMUJFWSA-N 0 1 418.405 3.354 50 10 biogenic HGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(N2Cc3ccccc3C2)cc1 ZINC000005900125 568828812 /nfs/dbraw/zinc/82/88/12/568828812.db2.gz PQXLOOSMGVTQPK-MTJSOVHGSA-N 0 1 413.433 3.462 50 10 HGCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1O ZINC000001215983 568834610 /nfs/dbraw/zinc/83/46/10/568834610.db2.gz ILHSUMFQRJAXRQ-NTEUORMPSA-N 0 1 403.232 3.015 50 10 HGCAMN COc1ccc(N2CCN(C(=O)c3[nH]nnc3Nc3cccc(Cl)c3)CC2)cc1 ZINC000067284681 571063591 /nfs/dbraw/zinc/06/35/91/571063591.db2.gz FETAZDOEXQSQTQ-UHFFFAOYSA-N 0 1 412.881 3.173 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C ZINC000008798843 571120416 /nfs/dbraw/zinc/12/04/16/571120416.db2.gz GGRCAKIKMQRAEL-JOCHJYFZSA-N 0 1 401.576 3.267 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C ZINC000008798842 571120439 /nfs/dbraw/zinc/12/04/39/571120439.db2.gz GGRCAKIKMQRAEL-QFIPXVFZSA-N 0 1 401.576 3.267 50 10 HGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCC3)ccc21 ZINC000009135578 132228589 /nfs/dbraw/zinc/22/85/89/132228589.db2.gz JAWRWPRYVSXNPO-JOCHJYFZSA-N 0 1 424.520 3.100 50 10 HGCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000006898832 132319963 /nfs/dbraw/zinc/31/99/63/132319963.db2.gz UCKILGJSJQZBJF-UMADGWCESA-N 0 1 407.499 3.285 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 ZINC000012362852 132359014 /nfs/dbraw/zinc/35/90/14/132359014.db2.gz YVPLAARKUDMTGV-XDHOZWIPSA-N 0 1 402.479 3.320 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)COc3cccc(C)c3C)CC2)cc1 ZINC000032763985 524423509 /nfs/dbraw/zinc/42/35/09/524423509.db2.gz CTTPUJLDWQAKAB-UHFFFAOYSA-N 0 1 411.546 3.019 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000001203249 536597479 /nfs/dbraw/zinc/59/74/79/536597479.db2.gz KJMUJVJECFCOKA-OQLLNIDSSA-N 0 1 417.284 3.289 50 10 HGCAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000005442693 557653788 /nfs/dbraw/zinc/65/37/88/557653788.db2.gz DHQWQSFOKQPKMU-CPNJWEJPSA-N 0 1 412.515 3.272 50 10 HGCAMN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(C(=O)OC)cc1 ZINC000009304357 557835497 /nfs/dbraw/zinc/83/54/97/557835497.db2.gz NSXLZDGQXTVHIT-ZHZULCJRSA-N 0 1 407.426 3.125 50 10 HGCAMN O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1 ZINC000004857235 559192675 /nfs/dbraw/zinc/19/26/75/559192675.db2.gz FIZHDUNIPFSYLD-UHFFFAOYSA-N 0 1 406.148 3.207 50 10 HGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc32)CC1 ZINC000020605118 568636201 /nfs/dbraw/zinc/63/62/01/568636201.db2.gz RRVWLXDYGFXHOU-UHFFFAOYSA-N 0 1 424.497 3.320 50 10 HGCAMN CCOC(=O)Cn1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000001308035 568913717 /nfs/dbraw/zinc/91/37/17/568913717.db2.gz UKIUYQDQIBOQNH-VCHYOVAHSA-N 0 1 423.856 3.319 50 10 HGCAMN CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccc(F)c3)N3CCCC3)ccc21 ZINC000008799099 571120371 /nfs/dbraw/zinc/12/03/71/571120371.db2.gz IPNNOKQEPQWKCU-JOCHJYFZSA-N 0 1 417.550 3.324 50 10 HGCAMN Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)ccc1F ZINC000008801061 571120746 /nfs/dbraw/zinc/12/07/46/571120746.db2.gz SAYKXEVEPWZLIY-JOCHJYFZSA-N 0 1 417.550 3.242 50 10 HGCAMN CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000008801572 571120749 /nfs/dbraw/zinc/12/07/49/571120749.db2.gz VWOGCRXTQNFYLH-JOCHJYFZSA-N 0 1 417.550 3.324 50 10 HGCAMN Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008801057 571120810 /nfs/dbraw/zinc/12/08/10/571120810.db2.gz VVNLKFLSYHBDFH-JOCHJYFZSA-N 0 1 413.587 3.411 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000008801592 571120814 /nfs/dbraw/zinc/12/08/14/571120814.db2.gz YVPJDYVLUITWGM-QHCPKHFHSA-N 0 1 413.587 3.493 50 10 HGCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000001201872 132242111 /nfs/dbraw/zinc/24/21/11/132242111.db2.gz BRPHOFWXTQCZPN-XNTDXEJSSA-N 0 1 400.431 3.064 50 10 HGCAMN CCOc1ccc(N2CCN(CCCNC(=S)NC3CCCCC3)CC2)cc1 ZINC000005063858 535735573 /nfs/dbraw/zinc/73/55/73/535735573.db2.gz ZYHZKIXAKNVOQP-UHFFFAOYSA-N 0 1 404.624 3.394 50 10 HGCAMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000002898237 536632950 /nfs/dbraw/zinc/63/29/50/536632950.db2.gz UAPHFKWQTOTSJC-GXDHUFHOSA-N 0 1 417.284 3.289 50 10 HGCAMN CCc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1 ZINC000000659527 557042662 /nfs/dbraw/zinc/04/26/62/557042662.db2.gz VFVJXDBBMLCXDG-LFIBNONCSA-N 0 1 418.234 3.315 50 10 HGCAMN CCCCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)ccc1Cl ZINC000002071256 557307101 /nfs/dbraw/zinc/30/71/01/557307101.db2.gz WVXCKMOXZWBSOW-UHFFFAOYSA-N 0 1 416.817 3.306 50 10 HGCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 ZINC000004330516 558262354 /nfs/dbraw/zinc/26/23/54/558262354.db2.gz CIKPECMBKCDSAJ-JOCHJYFZSA-N 0 1 408.546 3.261 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1O ZINC000013540874 558537605 /nfs/dbraw/zinc/53/76/05/558537605.db2.gz OGJAYZDFMVQQDC-UYRXBGFRSA-N 0 1 415.449 3.462 50 10 HGCAMN O=C1NC(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000017195960 558825418 /nfs/dbraw/zinc/82/54/18/558825418.db2.gz UAXKSXCPTYKXJA-PQDCBLBRSA-N 0 1 406.438 3.111 50 10 HGCAMN CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000004672856 558884781 /nfs/dbraw/zinc/88/47/81/558884781.db2.gz MWNSEWHKZOAHSE-OAHLLOKOSA-N 0 1 408.454 3.407 50 10 HGCAMN COc1ccc(N(CC(=O)NCC2(N3CCOCC3)CCCCC2)C(C)C)cc1F ZINC000058341225 558920385 /nfs/dbraw/zinc/92/03/85/558920385.db2.gz SVHAJYKUIYJXCV-UHFFFAOYSA-N 0 1 421.557 3.200 50 10 HGCAMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004747733 559046063 /nfs/dbraw/zinc/04/60/63/559046063.db2.gz IAYKRFYGTQIKGO-HMMYKYKNSA-N 0 1 406.486 3.338 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)CSc3ccccc3C)CC2)cc1 ZINC000024088410 559190002 /nfs/dbraw/zinc/19/00/02/559190002.db2.gz QHIAOJKKEHXNLA-UHFFFAOYSA-N 0 1 413.587 3.424 50 10 HGCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1ccncc1)CC(=O)O2 ZINC000096114167 568693821 /nfs/dbraw/zinc/69/38/21/568693821.db2.gz CIKNPMUSQDPKAK-CYBMUJFWSA-N 0 1 417.373 3.413 50 10 biogenic HGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000210985210 568749926 /nfs/dbraw/zinc/74/99/26/568749926.db2.gz IUYGCYVYZMBTPC-SFQUDFHCSA-N 0 1 424.913 3.285 50 10 HGCAMN O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N1 ZINC000001177584 568821466 /nfs/dbraw/zinc/82/14/66/568821466.db2.gz JHJNBNDLVRVXMN-UHFFFAOYSA-N 0 1 403.354 3.037 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007893 569406758 /nfs/dbraw/zinc/40/67/58/569406758.db2.gz RMHQLYJOUPPOIO-QHCPKHFHSA-N 0 1 420.557 3.269 50 10 HGCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001205065 132242402 /nfs/dbraw/zinc/24/24/02/132242402.db2.gz JIQJQGGBYVQVLK-GDNBJRDFSA-N 0 1 417.284 3.289 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000006174126 132309362 /nfs/dbraw/zinc/30/93/62/132309362.db2.gz FGOZTRCJPDXUPC-CNJGYECJSA-N 0 1 423.538 3.424 50 10 HGCAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000009009760 132334912 /nfs/dbraw/zinc/33/49/12/132334912.db2.gz YWAUYPJCEQGWFH-GXDHUFHOSA-N 0 1 414.874 3.042 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1F ZINC000001152155 557211629 /nfs/dbraw/zinc/21/16/29/557211629.db2.gz FXRFFUSQVKGQMJ-GZTJUZNOSA-N 0 1 407.401 3.488 50 10 HGCAMN O=C(Nc1ccc(F)cc1)c1coc(CN2CCN(Cc3ccccc3O)CC2)n1 ZINC000034678046 557365931 /nfs/dbraw/zinc/36/59/31/557365931.db2.gz SBWHLFFXTNBBJF-UHFFFAOYSA-N 0 1 410.449 3.089 50 10 HGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccccc1Cl ZINC000013552880 558539563 /nfs/dbraw/zinc/53/95/63/558539563.db2.gz IRTXMMCNJORYLN-GZTJUZNOSA-N 0 1 409.829 3.445 50 10 HGCAMN CCOC(=O)Cn1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000017146228 558824051 /nfs/dbraw/zinc/82/40/51/558824051.db2.gz UKIUYQDQIBOQNH-ZDLGFXPLSA-N 0 1 423.856 3.319 50 10 HGCAMN COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C(C)C ZINC000067601914 558987704 /nfs/dbraw/zinc/98/77/04/558987704.db2.gz IEABPGFFOXOVEM-UHFFFAOYSA-N 0 1 417.575 3.049 50 10 HGCAMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1cccc2ccccc21 ZINC000001197908 560727777 /nfs/dbraw/zinc/72/77/77/560727777.db2.gz YJGNEXMSJQHPFB-UHFFFAOYSA-N 0 1 402.406 3.177 50 10 HGCAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000101057775 560767930 /nfs/dbraw/zinc/76/79/30/560767930.db2.gz QTHGDONZKVGCNF-VWPQPMDRSA-N 0 1 416.433 3.452 50 10 HGCAMN Cn1cc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cn1 ZINC000096115580 568695327 /nfs/dbraw/zinc/69/53/27/568695327.db2.gz FYNQLTFWPOMIQX-CYBMUJFWSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN Cn1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cn1 ZINC000096115580 568695329 /nfs/dbraw/zinc/69/53/29/568695329.db2.gz FYNQLTFWPOMIQX-CYBMUJFWSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000016450254 569051512 /nfs/dbraw/zinc/05/15/12/569051512.db2.gz IPXSHLQHRWQXMK-FLIBITNWSA-N 0 1 421.247 3.125 50 10 HGCAMN Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(Cc4ccccc4O)CC3)n2)c1 ZINC000034678206 569292531 /nfs/dbraw/zinc/29/25/31/569292531.db2.gz CDRVDARIBUTLEV-UHFFFAOYSA-N 0 1 424.476 3.398 50 10 HGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21 ZINC000013008002 569406820 /nfs/dbraw/zinc/40/68/20/569406820.db2.gz PILRDTQUXIEKFN-JOCHJYFZSA-N 0 1 424.520 3.100 50 10 HGCAMN CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCCC3)ccc21 ZINC000008801001 571120516 /nfs/dbraw/zinc/12/05/16/571120516.db2.gz IBFXVIBSEPSBEF-NRFANRHFSA-N 0 1 419.978 3.448 50 10 HGCAMN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000000758812 132232542 /nfs/dbraw/zinc/23/25/42/132232542.db2.gz CNSYNKHMRYRYBD-LFIBNONCSA-N 0 1 418.280 3.291 50 10 HGCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000004723773 132285964 /nfs/dbraw/zinc/28/59/64/132285964.db2.gz CKCCXPJKLHHNDV-MHWRWJLKSA-N 0 1 414.458 3.454 50 10 HGCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Br)s1 ZINC000006997667 132321939 /nfs/dbraw/zinc/32/19/39/132321939.db2.gz QHXRFLHPZVEVOO-XFFZJAGNSA-N 0 1 411.277 3.481 50 10 HGCAMN COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000008435017 557788878 /nfs/dbraw/zinc/78/88/78/557788878.db2.gz VYTXEFUNJGJLFZ-UHFFFAOYSA-N 0 1 421.430 3.049 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1C ZINC000004330633 558262548 /nfs/dbraw/zinc/26/25/48/558262548.db2.gz YSTARAYNHNGFNR-JOCHJYFZSA-N 0 1 408.546 3.261 50 10 HGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCN(C)CC2)cc1 ZINC000022417339 558990737 /nfs/dbraw/zinc/99/07/37/558990737.db2.gz BUZPKHKICMXFTO-OAQYLSRUSA-N 0 1 400.954 3.125 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1C ZINC000015769256 560856139 /nfs/dbraw/zinc/85/61/39/560856139.db2.gz PCDBKMAXGFIPJH-OVCLIPMQSA-N 0 1 418.316 3.236 50 10 HGCAMN Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)ccc1F ZINC000008801060 571120711 /nfs/dbraw/zinc/12/07/11/571120711.db2.gz SAYKXEVEPWZLIY-QFIPXVFZSA-N 0 1 417.550 3.242 50 10 HGCAMN CCN1C(=O)NC(=O)C(=Cc2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C1=O ZINC000001134810 557200539 /nfs/dbraw/zinc/20/05/39/557200539.db2.gz VYDXFARXARPMHN-BRFSQIRFSA-N 0 1 422.485 3.364 50 10 HGCAMN O=C(NN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S)c1cccs1 ZINC000013945830 558607143 /nfs/dbraw/zinc/60/71/43/558607143.db2.gz GXWLIEAGSVUCJG-RIYZIHGNSA-N 0 1 414.489 3.401 50 10 HGCAMN Cc1ccc(N2NC(=O)/C(=C\c3cccc(I)c3)C2=O)cc1C ZINC000016312119 558785768 /nfs/dbraw/zinc/78/57/68/558785768.db2.gz DQNAHIBJSXSZRU-MHWRWJLKSA-N 0 1 418.234 3.369 50 10 HGCAMN Cc1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000013635792 558849329 /nfs/dbraw/zinc/84/93/29/558849329.db2.gz MBFWLLMQLRTWSM-ZHZULCJRSA-N 0 1 419.437 3.131 50 10 HGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)cc1 ZINC000013688195 558855137 /nfs/dbraw/zinc/85/51/37/558855137.db2.gz ZBHSJPDIWMGHOQ-WQRHYEAKSA-N 0 1 409.829 3.445 50 10 HGCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000005173480 559288292 /nfs/dbraw/zinc/28/82/92/559288292.db2.gz KKWVWVGBIIJDBV-AUWJEWJLSA-N 0 1 402.834 3.136 50 10 HGCAMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000001185519 560727725 /nfs/dbraw/zinc/72/77/25/560727725.db2.gz JADMVOCTKOGMSY-UHFFFAOYSA-N 0 1 401.762 3.417 50 10 HGCAMN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1[O-] ZINC000096009173 568683399 /nfs/dbraw/zinc/68/33/99/568683399.db2.gz XDWLCSSIQPQFCB-CXAGYDPISA-N 0 1 401.370 3.013 50 10 HGCAMN CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCCC3)ccc21 ZINC000008801000 571120480 /nfs/dbraw/zinc/12/04/80/571120480.db2.gz IBFXVIBSEPSBEF-OAQYLSRUSA-N 0 1 419.978 3.448 50 10 HGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000000665109 132230259 /nfs/dbraw/zinc/23/02/59/132230259.db2.gz GXLYVSZTOVKCLU-NTEUORMPSA-N 0 1 405.248 3.420 50 10 HGCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=CNCCc1ccccc1 ZINC000001881671 132248297 /nfs/dbraw/zinc/24/82/97/132248297.db2.gz PLSQXGOCGXJCOF-CYVLTUHYSA-N 0 1 401.491 3.304 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000002915736 536597722 /nfs/dbraw/zinc/59/77/22/536597722.db2.gz MLCUBYFNTVXGSV-RIYZIHGNSA-N 0 1 402.859 3.189 50 10 HGCAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000004330560 558262346 /nfs/dbraw/zinc/26/23/46/558262346.db2.gz RYRWKNNBEMUKLV-QFIPXVFZSA-N 0 1 408.546 3.207 50 10 HGCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)NCc4ccccc4)C3)CC2)cc1 ZINC000055281485 558878400 /nfs/dbraw/zinc/87/84/00/558878400.db2.gz VGDHPUNKXUFLAM-JOCHJYFZSA-N 0 1 408.546 3.191 50 10 HGCAMN COc1ccc(N2CCN(C[C@H](O)COC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023114558 559012676 /nfs/dbraw/zinc/01/26/76/559012676.db2.gz PZUSFRIBRFPPFL-GAWOJFTKSA-N 0 1 400.563 3.164 50 10 HGCAMN COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000033341758 559064902 /nfs/dbraw/zinc/06/49/02/559064902.db2.gz QZFCSQMVFKMKBN-OVCLIPMQSA-N 0 1 400.818 3.044 50 10 HGCAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1F ZINC000005098964 559244677 /nfs/dbraw/zinc/24/46/77/559244677.db2.gz YYCBRYMMDCGUEJ-FQEVSTJZSA-N 0 1 421.538 3.016 50 10 HGCAMN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1[O-] ZINC000096009174 568683529 /nfs/dbraw/zinc/68/35/29/568683529.db2.gz XDWLCSSIQPQFCB-GUYCJALGSA-N 0 1 401.370 3.013 50 10 HGCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1cccnc1)CC(=O)O2 ZINC000096114552 568694362 /nfs/dbraw/zinc/69/43/62/568694362.db2.gz AWCSCIFTABHQHU-CYBMUJFWSA-N 0 1 417.373 3.413 50 10 biogenic HGCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000002369630 569388680 /nfs/dbraw/zinc/38/86/80/569388680.db2.gz AGEJJTDULHHQCM-CYVLTUHYSA-N 0 1 406.486 3.153 50 10 HGCAMN CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CCCC3)ccc21 ZINC000008801036 571120540 /nfs/dbraw/zinc/12/05/40/571120540.db2.gz FVNYBRCDPWRPBI-HXUWFJFHSA-N 0 1 421.513 3.073 50 10 HGCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC ZINC000000642063 132229578 /nfs/dbraw/zinc/22/95/78/132229578.db2.gz OLGACXGFLDOYPL-AWNIVKPZSA-N 0 1 420.849 3.328 50 10 HGCAMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S ZINC000000665466 132230553 /nfs/dbraw/zinc/23/05/53/132230553.db2.gz VVNQXJUUIQEWPX-GHRIWEEISA-N 0 1 419.462 3.023 50 10 HGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001095357 132237082 /nfs/dbraw/zinc/23/70/82/132237082.db2.gz SVVDYUMVXPFBGQ-RVDMUPIBSA-N 0 1 401.875 3.365 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000005032856 132298911 /nfs/dbraw/zinc/29/89/11/132298911.db2.gz GHHSZGIAJRFGEP-QGOAFFKASA-N 0 1 412.490 3.416 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000005041016 132299162 /nfs/dbraw/zinc/29/91/62/132299162.db2.gz QFQGLXWXXXFPAQ-DTQAZKPQSA-N 0 1 412.490 3.416 50 10 HGCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 ZINC000009379945 132339298 /nfs/dbraw/zinc/33/92/98/132339298.db2.gz IAJHPZRXNKORPO-UNOMPAQXSA-N 0 1 421.497 3.356 50 10 HGCAMN CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1 ZINC000032099662 523966108 /nfs/dbraw/zinc/96/61/08/523966108.db2.gz LRTSGDWWHLDPLW-UYRXBGFRSA-N 0 1 401.422 3.069 50 10 HGCAMN CCN1C(=O)NC(=O)C(=Cc2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)C1=O ZINC000001134808 557200518 /nfs/dbraw/zinc/20/05/18/557200518.db2.gz VYDXFARXARPMHN-GYZOOYGHSA-N 0 1 422.485 3.364 50 10 HGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000003097675 557446276 /nfs/dbraw/zinc/44/62/76/557446276.db2.gz DHRYOFLOCMISQW-UHFFFAOYSA-N 0 1 411.370 3.162 50 10 HGCAMN CN1CCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CCN(C)CC3)ccc21 ZINC000022733741 557807557 /nfs/dbraw/zinc/80/75/57/557807557.db2.gz ZXHPZNDIDWYFQW-QFIPXVFZSA-N 0 1 412.965 3.051 50 10 HGCAMN CN1CCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CCN(C)CC3)ccc21 ZINC000022733745 557807690 /nfs/dbraw/zinc/80/76/90/557807690.db2.gz ZXHPZNDIDWYFQW-JOCHJYFZSA-N 0 1 412.965 3.051 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1C ZINC000004330581 558262280 /nfs/dbraw/zinc/26/22/80/558262280.db2.gz GJNCKXLODBAPCP-QFIPXVFZSA-N 0 1 408.546 3.261 50 10 HGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cccc(OC)c4)coc32)CC1 ZINC000020503701 558381320 /nfs/dbraw/zinc/38/13/20/558381320.db2.gz WYGUEBNTOGECHZ-UHFFFAOYSA-N 0 1 410.470 3.437 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000013571236 558542088 /nfs/dbraw/zinc/54/20/88/558542088.db2.gz SLRLXWMFRYGUCB-BOPFTXTBSA-N 0 1 420.469 3.460 50 10 HGCAMN CCc1nnc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 ZINC000004601092 558840753 /nfs/dbraw/zinc/84/07/53/558840753.db2.gz GPOGDOVJZORWDO-UHFFFAOYSA-N 0 1 408.395 3.036 50 10 HGCAMN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000005098971 559244706 /nfs/dbraw/zinc/24/47/06/559244706.db2.gz UXRABPCWIHASIC-JOCHJYFZSA-N 0 1 417.575 3.267 50 10 HGCAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000017779661 560727367 /nfs/dbraw/zinc/72/73/67/560727367.db2.gz QTHGDONZKVGCNF-SJBKTWHCSA-N 0 1 416.433 3.452 50 10 HGCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1ccncc1)CC(=O)O2 ZINC000096114166 568694057 /nfs/dbraw/zinc/69/40/57/568694057.db2.gz CIKNPMUSQDPKAK-ZDUSSCGKSA-N 0 1 417.373 3.413 50 10 biogenic HGCAMN Cc1c([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cnn1C ZINC000096114995 568694713 /nfs/dbraw/zinc/69/47/13/568694713.db2.gz HRXQMRZWBAAKBP-ZDUSSCGKSA-N 0 1 418.405 3.354 50 10 biogenic HGCAMN Cc1c([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C ZINC000096114995 568694715 /nfs/dbraw/zinc/69/47/15/568694715.db2.gz HRXQMRZWBAAKBP-ZDUSSCGKSA-N 0 1 418.405 3.354 50 10 biogenic HGCAMN COC(=O)c1ccc(-n2c(C)cc([C@H]3NC(=N)Nc4nc5ccccc5n43)c2C)cc1 ZINC000012619542 568872436 /nfs/dbraw/zinc/87/24/36/568872436.db2.gz OUGIDVRHKJHYPC-FQEVSTJZSA-N 0 1 414.469 3.327 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000015800089 569009970 /nfs/dbraw/zinc/00/99/70/569009970.db2.gz DFBUQCAWVZDUGC-ODLFYWEKSA-N 0 1 407.401 3.488 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007890 569406770 /nfs/dbraw/zinc/40/67/70/569406770.db2.gz RMHQLYJOUPPOIO-HSZRJFAPSA-N 0 1 420.557 3.269 50 10 HGCAMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000001151378 132239368 /nfs/dbraw/zinc/23/93/68/132239368.db2.gz OXVKZVXYVPPNNX-GHRIWEEISA-N 0 1 421.453 3.456 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(C)nc4ccccc43)CC2)cc1 ZINC000032763896 524424800 /nfs/dbraw/zinc/42/48/00/524424800.db2.gz RZTHSHPHYYXQGE-UHFFFAOYSA-N 0 1 418.541 3.494 50 10 HGCAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000001169934 536658002 /nfs/dbraw/zinc/65/80/02/536658002.db2.gz APFIIMKDCGFKFU-XMHGGMMESA-N 0 1 403.463 3.317 50 10 HGCAMN CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 ZINC000002947594 557773687 /nfs/dbraw/zinc/77/36/87/557773687.db2.gz BLGXGXAFBFUKNK-UHFFFAOYSA-N 0 1 408.454 3.191 50 10 HGCAMN CCCOc1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000016672039 558798695 /nfs/dbraw/zinc/79/86/95/558798695.db2.gz CQYJEUICUPQCAC-AQTBWJFISA-N 0 1 424.453 3.122 50 10 HGCAMN COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)c1 ZINC000000666643 568460602 /nfs/dbraw/zinc/46/06/02/568460602.db2.gz VMUABXCZPFHGKI-PDGQHHTCSA-N 0 1 406.369 3.334 50 10 HGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(OC)cc4)coc32)CC1 ZINC000020393925 568603983 /nfs/dbraw/zinc/60/39/83/568603983.db2.gz QVVWKZPECLBDAN-UHFFFAOYSA-N 0 1 410.470 3.437 50 10 HGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000027532442 569367701 /nfs/dbraw/zinc/36/77/01/569367701.db2.gz XSCNRUWHXXBMNI-UHFFFAOYSA-N 0 1 400.774 3.158 50 10 HGCAMN Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013008114 569406779 /nfs/dbraw/zinc/40/67/79/569406779.db2.gz AOBCJGQLHGVIDU-HSZRJFAPSA-N 0 1 420.557 3.269 50 10 HGCAMN CN1CCc2cc([C@@H](CNS(=O)(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000008801122 571120705 /nfs/dbraw/zinc/12/07/05/571120705.db2.gz VHIHSFYSJVUQTM-JOCHJYFZSA-N 0 1 417.550 3.075 50 10 HGCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964166 571190685 /nfs/dbraw/zinc/19/06/85/571190685.db2.gz JQTPAOYFPCKOGA-JOCHJYFZSA-N 0 1 420.557 3.188 50 10 HGCAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000004811343 132289361 /nfs/dbraw/zinc/28/93/61/132289361.db2.gz TUOFQTAYNICVAT-MHWRWJLKSA-N 0 1 414.874 3.042 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 ZINC000004330638 558262543 /nfs/dbraw/zinc/26/25/43/558262543.db2.gz NZUFZEKIJKUPCB-QFIPXVFZSA-N 0 1 408.546 3.261 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCCC2)cc1 ZINC000004330610 558262596 /nfs/dbraw/zinc/26/25/96/558262596.db2.gz WABRMFDHENTYMQ-FQEVSTJZSA-N 0 1 414.937 3.298 50 10 HGCAMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000022228532 558467975 /nfs/dbraw/zinc/46/79/75/558467975.db2.gz ISMFLEZCVOEHIO-XNTDXEJSSA-N 0 1 417.284 3.289 50 10 HGCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000015768922 558752070 /nfs/dbraw/zinc/75/20/70/558752070.db2.gz APVXFOGBPIKJNN-OVCLIPMQSA-N 0 1 421.238 3.187 50 10 HGCAMN C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(C)CC1 ZINC000015930193 558762554 /nfs/dbraw/zinc/76/25/54/558762554.db2.gz XWYGQPITEXYHRX-SDNWHVSQSA-N 0 1 409.437 3.083 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000005024857 559229965 /nfs/dbraw/zinc/22/99/65/559229965.db2.gz MYEPPBJIQSGJQI-CAPFRKAQSA-N 0 1 406.486 3.150 50 10 HGCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000005024857 559229966 /nfs/dbraw/zinc/22/99/66/559229966.db2.gz MYEPPBJIQSGJQI-CAPFRKAQSA-N 0 1 406.486 3.150 50 10 HGCAMN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000005098970 559244721 /nfs/dbraw/zinc/24/47/21/559244721.db2.gz UXRABPCWIHASIC-QFIPXVFZSA-N 0 1 417.575 3.267 50 10 HGCAMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000001152974 560727334 /nfs/dbraw/zinc/72/73/34/560727334.db2.gz FCQXEUBCANTOFD-GXDHUFHOSA-N 0 1 407.264 3.252 50 10 HGCAMN CCC(=O)Nc1ccccc1NC=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000101074818 560770801 /nfs/dbraw/zinc/77/08/01/560770801.db2.gz OEAXJONGKNFQJT-JQIJEIRASA-N 0 1 410.474 3.300 50 10 HGCAMN COc1cc2c(cc1C=C1C(=O)NC(=S)N(c3cccc(F)c3)C1=O)OCO2 ZINC000096476708 568754567 /nfs/dbraw/zinc/75/45/67/568754567.db2.gz KEQVZQBFPWAHPN-ACAGNQJTSA-N 0 1 400.387 3.235 50 10 HGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCN(C)CC2)cc1 ZINC000022589224 568770888 /nfs/dbraw/zinc/77/08/88/568770888.db2.gz VTEXCIBGLSUDSD-OAQYLSRUSA-N 0 1 400.954 3.125 50 10 HGCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1O ZINC000016671241 569070132 /nfs/dbraw/zinc/07/01/32/569070132.db2.gz ILHSUMFQRJAXRQ-ZROIWOOFSA-N 0 1 403.232 3.015 50 10 HGCAMN CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C ZINC000008798828 571120548 /nfs/dbraw/zinc/12/05/48/571120548.db2.gz HFLGLGLPZJFRFN-HXUWFJFHSA-N 0 1 407.967 3.304 50 10 HGCAMN CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCN2C ZINC000008800651 571120551 /nfs/dbraw/zinc/12/05/51/571120551.db2.gz IJRZCIZZVUXRJO-HSZRJFAPSA-N 0 1 413.587 3.139 50 10 HGCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008964055 571190757 /nfs/dbraw/zinc/19/07/57/571190757.db2.gz QABLHNCQTAYYIU-QHCPKHFHSA-N 0 1 420.557 3.188 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C ZINC000008964188 571191127 /nfs/dbraw/zinc/19/11/27/571191127.db2.gz PFTANCMGMNQIOA-HSZRJFAPSA-N 0 1 420.557 3.188 50 10 HGCAMN COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C ZINC000001823995 132247975 /nfs/dbraw/zinc/24/79/75/132247975.db2.gz FGIXDPDMWOAIOZ-BOPFTXTBSA-N 0 1 401.463 3.133 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000009135500 132336217 /nfs/dbraw/zinc/33/62/17/132336217.db2.gz BVFRRBCKVCTGED-QHCPKHFHSA-N 0 1 420.557 3.269 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000002916782 536597900 /nfs/dbraw/zinc/59/79/00/536597900.db2.gz HONIEAUPQBONEK-OVCLIPMQSA-N 0 1 402.859 3.189 50 10 HGCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 ZINC000009350089 536655115 /nfs/dbraw/zinc/65/51/15/536655115.db2.gz DIIYAFMXIUMNFT-WJDWOHSUSA-N 0 1 411.483 3.064 50 10 HGCAMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000002930394 536982166 /nfs/dbraw/zinc/98/21/66/536982166.db2.gz HLRFRYYKQBOUQB-GXDHUFHOSA-N 0 1 417.284 3.289 50 10 HGCAMN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(OC)cc1OC ZINC000004999660 557623651 /nfs/dbraw/zinc/62/36/51/557623651.db2.gz HWYVWJSDRPQWRV-STZFKDTASA-N 0 1 409.442 3.356 50 10 HGCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000013774583 558592247 /nfs/dbraw/zinc/59/22/47/558592247.db2.gz PNQWWKGQVMHTBH-HMMYKYKNSA-N 0 1 409.461 3.376 50 10 HGCAMN COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc([N+](=O)[O-])c1O ZINC000036008616 558796703 /nfs/dbraw/zinc/79/67/03/558796703.db2.gz XREUQVBPRDTMRU-AUWJEWJLSA-N 0 1 403.441 3.105 50 10 HGCAMN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)N=c1cccc[nH]1 ZINC000100423575 559135117 /nfs/dbraw/zinc/13/51/17/559135117.db2.gz UEODPWCEAIJVAC-PDGQHHTCSA-N 0 1 407.455 3.343 50 10 HGCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005341056 560567764 /nfs/dbraw/zinc/56/77/64/560567764.db2.gz HKGNXVNZRMONIF-OAQYLSRUSA-N 0 1 408.546 3.261 50 10 HGCAMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000005675204 560775585 /nfs/dbraw/zinc/77/55/85/560775585.db2.gz FDZMBBHZNBOTLX-LDADJPATSA-N 0 1 406.369 3.334 50 10 HGCAMN Cn1c2ccc(-c3c4c[nH]nc4nc4c5ccc(O)c(O)c5oc43)cc2n(C)c1=O ZINC000218165010 568475860 /nfs/dbraw/zinc/47/58/60/568475860.db2.gz KJZAFJGFJKLGHW-UHFFFAOYSA-N 0 1 401.382 3.126 50 10 HGCAMN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc([O-])c(C[NH+]3CCOCC3)c2o1 ZINC000020412392 568605411 /nfs/dbraw/zinc/60/54/11/568605411.db2.gz UZHHMQJLLLXPIO-UHFFFAOYSA-N 0 1 405.406 3.104 50 10 biogenic HGCAMN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022589139 568770918 /nfs/dbraw/zinc/77/09/18/568770918.db2.gz HWBYAOVXWCVIMQ-JOCHJYFZSA-N 0 1 414.981 3.053 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022589132 568771002 /nfs/dbraw/zinc/77/10/02/568771002.db2.gz HWBYAOVXWCVIMQ-QFIPXVFZSA-N 0 1 414.981 3.053 50 10 HGCAMN COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccc(Cl)cc1Cl ZINC000001175102 568821290 /nfs/dbraw/zinc/82/12/90/568821290.db2.gz MUYIFADLGZQVKD-UHFFFAOYSA-N 0 1 421.236 3.330 50 10 HGCAMN COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000015800021 569009935 /nfs/dbraw/zinc/00/99/35/569009935.db2.gz WRQBEFIJZLEUBS-NDENLUEZSA-N 0 1 419.437 3.358 50 10 HGCAMN CN(C)[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)CCCN2C ZINC000008798797 571120339 /nfs/dbraw/zinc/12/03/39/571120339.db2.gz IRORSHBQTMHVGJ-IBGZPJMESA-N 0 1 407.967 3.304 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1 ZINC000008801014 571120488 /nfs/dbraw/zinc/12/04/88/571120488.db2.gz ANYNRVZVBICCAA-QFIPXVFZSA-N 0 1 413.587 3.411 50 10 HGCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008964056 571190822 /nfs/dbraw/zinc/19/08/22/571190822.db2.gz QABLHNCQTAYYIU-HSZRJFAPSA-N 0 1 420.557 3.188 50 10 HGCAMN CN(C)CCCNc1cc(N2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006661233 132312715 /nfs/dbraw/zinc/31/27/15/132312715.db2.gz OLDOQGFMCWRVDO-UHFFFAOYSA-N 0 1 406.530 3.398 50 10 HGCAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000009135515 132336281 /nfs/dbraw/zinc/33/62/81/132336281.db2.gz IJMLJYWGGOVIIX-QHCPKHFHSA-N 0 1 420.557 3.269 50 10 HGCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000000978873 557129471 /nfs/dbraw/zinc/12/94/71/557129471.db2.gz CCWOEKKEQDLVMY-NTEUORMPSA-N 0 1 402.859 3.276 50 10 HGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000013880138 558599408 /nfs/dbraw/zinc/59/94/08/558599408.db2.gz BBHRBEAKPQDWNN-MKMNVTDBSA-N 0 1 414.215 3.185 50 10 HGCAMN COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(OC)c3)C2=O)c1C ZINC000033349587 559066847 /nfs/dbraw/zinc/06/68/47/559066847.db2.gz TWRYINQUXOWGCD-WQRHYEAKSA-N 0 1 413.499 3.432 50 10 HGCAMN CCN(C)c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 ZINC000005128005 559248896 /nfs/dbraw/zinc/24/88/96/559248896.db2.gz CQCCFXJXDKRRCC-BOPFTXTBSA-N 0 1 400.276 3.367 50 10 HGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001086707 560727132 /nfs/dbraw/zinc/72/71/32/560727132.db2.gz RIPBZCGDJJYISY-UHFFFAOYSA-N 0 1 400.818 3.067 50 10 HGCAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000103883813 560844945 /nfs/dbraw/zinc/84/49/45/560844945.db2.gz DHQWQSFOKQPKMU-UYRXBGFRSA-N 0 1 412.515 3.272 50 10 HGCAMN Cc1ccc(N2NC(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000001055752 568764221 /nfs/dbraw/zinc/76/42/21/568764221.db2.gz YEFHOSARJKQBJJ-RIYZIHGNSA-N 0 1 416.231 3.436 50 10 HGCAMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCCOc3ccccc3)c(Cl)c2)C(=O)N1 ZINC000008874752 571130547 /nfs/dbraw/zinc/13/05/47/571130547.db2.gz QEJHOTHVCMZHQT-UHFFFAOYSA-N 0 1 421.236 3.201 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1F ZINC000008964115 571190648 /nfs/dbraw/zinc/19/06/48/571190648.db2.gz FTFDJNFLSHBVHP-QFIPXVFZSA-N 0 1 424.520 3.018 50 10 HGCAMN CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 ZINC000009089601 571220192 /nfs/dbraw/zinc/22/01/92/571220192.db2.gz AVNIAWMLFZIHNE-JXAWBTAJSA-N 0 1 411.458 3.128 50 10 HGCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000001203629 132242176 /nfs/dbraw/zinc/24/21/76/132242176.db2.gz KJPJKKOYAVAXNS-MDWZMJQESA-N 0 1 405.273 3.490 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000006174125 132309384 /nfs/dbraw/zinc/30/93/84/132309384.db2.gz FGOZTRCJPDXUPC-SCWSXOCZSA-N 0 1 423.538 3.424 50 10 HGCAMN COc1ccc(OC)c(NC=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000009244959 132337518 /nfs/dbraw/zinc/33/75/18/132337518.db2.gz AYGYOSQLBBVWAI-WJDWOHSUSA-N 0 1 411.483 3.064 50 10 HGCAMN Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000012363800 132359000 /nfs/dbraw/zinc/35/90/00/132359000.db2.gz KJPJKKOYAVAXNS-JYRVWZFOSA-N 0 1 405.273 3.490 50 10 HGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CNC1CCCCCC1 ZINC000020477985 527056298 /nfs/dbraw/zinc/05/62/98/527056298.db2.gz CZVGGCRCHQBNJL-RVDMUPIBSA-N 0 1 422.348 3.393 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000000766490 536598567 /nfs/dbraw/zinc/59/85/67/536598567.db2.gz GSPAWCCIFHMJIV-UKTHLTGXSA-N 0 1 417.284 3.289 50 10 HGCAMN COc1ccc(N2CCN(C[C@@H](O)COCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023115038 536697876 /nfs/dbraw/zinc/69/78/76/536697876.db2.gz UYQPMEDXEJQYRZ-ZFDSFTMVSA-N 0 1 414.590 3.411 50 10 HGCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O ZINC000001202988 557240172 /nfs/dbraw/zinc/24/01/72/557240172.db2.gz KJCSBHOKDDZHHZ-MDWZMJQESA-N 0 1 403.232 3.015 50 10 HGCAMN CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1 ZINC000017112544 558822762 /nfs/dbraw/zinc/82/27/62/558822762.db2.gz QMERMNMKVZXPKA-GHRIWEEISA-N 0 1 411.483 3.350 50 10 HGCAMN CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000004672858 558884756 /nfs/dbraw/zinc/88/47/56/558884756.db2.gz MWNSEWHKZOAHSE-HNNXBMFYSA-N 0 1 408.454 3.407 50 10 HGCAMN C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000098086682 559064980 /nfs/dbraw/zinc/06/49/80/559064980.db2.gz FZLWCGQKBROQCQ-QJMZJAKPSA-N 0 1 413.449 3.438 50 10 HGCAMN C[C@H](C(=O)NCCc1cnc[nH]1)N1C(=O)C(=Cc2ccccc2Cl)SC1=S ZINC000033583493 559216049 /nfs/dbraw/zinc/21/60/49/559216049.db2.gz PBPZVVYPXRTQQN-SHLUWWQESA-N 0 1 420.947 3.012 50 10 HGCAMN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005349666 560571255 /nfs/dbraw/zinc/57/12/55/560571255.db2.gz MOBAYNZXIIPJHM-OAQYLSRUSA-N 0 1 424.545 3.043 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018127398 560779395 /nfs/dbraw/zinc/77/93/95/560779395.db2.gz GDOHACBHOQSRMJ-XMHGGMMESA-N 0 1 424.526 3.285 50 10 HGCAMN C[N@@H+](CCc1cnccn1)Cc1cc(Br)cc(Br)c1[O-] ZINC000095468646 568625319 /nfs/dbraw/zinc/62/53/19/568625319.db2.gz NTRHYWHWDPGKFT-UHFFFAOYSA-N 0 1 401.102 3.382 50 10 HGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3cc(-c4ccc(OC)cc4OC)c(=O)oc32)CC1 ZINC000020612239 568637543 /nfs/dbraw/zinc/63/75/43/568637543.db2.gz XILRXISASWXWGU-UHFFFAOYSA-N 0 1 424.497 3.320 50 10 biogenic HGCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000001301902 568913379 /nfs/dbraw/zinc/91/33/79/568913379.db2.gz BARONBAHSSWWNB-AUWJEWJLSA-N 0 1 400.362 3.051 50 10 HGCAMN CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)s1 ZINC000008798866 571120560 /nfs/dbraw/zinc/12/05/60/571120560.db2.gz BFWIYGIBMKISRV-IBGZPJMESA-N 0 1 407.605 3.274 50 10 HGCAMN COc1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000001158086 132239574 /nfs/dbraw/zinc/23/95/74/132239574.db2.gz MBVGRMNZPDJDDB-NTEUORMPSA-N 0 1 401.375 3.414 50 10 HGCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002303198 132251946 /nfs/dbraw/zinc/25/19/46/132251946.db2.gz OQGHQSWLNHECEU-RGEXLXHISA-N 0 1 408.458 3.120 50 10 HGCAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)C(=O)NC2=S)c1 ZINC000004742188 132286752 /nfs/dbraw/zinc/28/67/52/132286752.db2.gz PUSXFHHDMRASKV-YBEGLDIGSA-N 0 1 412.467 3.021 50 10 HGCAMN Cc1ccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)NC2=S)cc1 ZINC000006897976 132319946 /nfs/dbraw/zinc/31/99/46/132319946.db2.gz LYPRZQFFNFKLBW-GDLUXTLDSA-N 0 1 421.526 3.165 50 10 HGCAMN COc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000009300336 132338195 /nfs/dbraw/zinc/33/81/95/132338195.db2.gz OAQNZKFRAMZOLV-DHDCSXOGSA-N 0 1 412.467 3.263 50 10 HGCAMN Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1CCOc1c(C)cccc1C ZINC000004549050 558672758 /nfs/dbraw/zinc/67/27/58/558672758.db2.gz IBNDCHJFAPXURZ-UHFFFAOYSA-N 0 1 417.465 3.395 50 10 HGCAMN COC(=O)c1cc2ccccc2c(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O ZINC000029539805 558716586 /nfs/dbraw/zinc/71/65/86/558716586.db2.gz DGIVGGJBMDBSMG-IBGZPJMESA-N 0 1 423.465 3.398 50 10 HGCAMN COc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000016183732 558775751 /nfs/dbraw/zinc/77/57/51/558775751.db2.gz LDXPLZVLJKZLHB-UHFFFAOYSA-N 0 1 418.496 3.297 50 10 HGCAMN C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000098086683 559064999 /nfs/dbraw/zinc/06/49/99/559064999.db2.gz FZLWCGQKBROQCQ-CMHHUMAZSA-N 0 1 413.449 3.438 50 10 HGCAMN COCC[NH+](CCOC)Cc1c([O-])cc(OC)c2c(=O)cc(-c3ccccc3)oc12 ZINC000011865270 559263420 /nfs/dbraw/zinc/26/34/20/559263420.db2.gz RQCBRXFUGDLTNG-UHFFFAOYSA-N 0 1 413.470 3.269 50 10 biogenic HGCAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000137520023 559280324 /nfs/dbraw/zinc/28/03/24/559280324.db2.gz QTHGDONZKVGCNF-TUNNFDKTSA-N 0 1 416.433 3.452 50 10 HGCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000001176254 560727612 /nfs/dbraw/zinc/72/76/12/560727612.db2.gz MCMAGHMCJLDLQJ-CPNJWEJPSA-N 0 1 407.470 3.203 50 10 HGCAMN COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc2c1OCCO2 ZINC000012389320 568691281 /nfs/dbraw/zinc/69/12/81/568691281.db2.gz FPYKOEABFFURIH-AWEZNQCLSA-N 0 1 422.437 3.334 50 10 HGCAMN CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000210952724 568748797 /nfs/dbraw/zinc/74/87/97/568748797.db2.gz MAQWKQNDWKHZOP-FOWTUZBSSA-N 0 1 419.462 3.176 50 10 HGCAMN COc1cc(OC)c(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 ZINC000001306309 568913603 /nfs/dbraw/zinc/91/36/03/568913603.db2.gz QLTBEXJMSWHKJH-YBEGLDIGSA-N 0 1 414.389 3.354 50 10 HGCAMN Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)ccc1F ZINC000008798901 571120316 /nfs/dbraw/zinc/12/03/16/571120316.db2.gz UKEDQRPAPFURNN-NRFANRHFSA-N 0 1 405.539 3.098 50 10 HGCAMN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 ZINC000008798853 571120458 /nfs/dbraw/zinc/12/04/58/571120458.db2.gz HEKWJGKMNKZMTA-QFIPXVFZSA-N 0 1 417.575 3.049 50 10 HGCAMN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008820265 571121448 /nfs/dbraw/zinc/12/14/48/571121448.db2.gz YJPVFZWMHIDIFR-NTEUORMPSA-N 0 1 419.440 3.123 50 10 HGCAMN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000040151638 571199487 /nfs/dbraw/zinc/19/94/87/571199487.db2.gz DPECWWYEHKLZJD-UHFFFAOYSA-N 0 1 403.530 3.171 50 10 HGCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OCC)c1 ZINC000001172724 132240200 /nfs/dbraw/zinc/24/02/00/132240200.db2.gz YJVQKEMSDAKAHB-RVDMUPIBSA-N 0 1 414.458 3.454 50 10 HGCAMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)NC2=S)cc1 ZINC000005954362 132308783 /nfs/dbraw/zinc/30/87/83/132308783.db2.gz NEXKZNGXKHYYDJ-RIYZIHGNSA-N 0 1 416.886 3.448 50 10 HGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000003011779 557440947 /nfs/dbraw/zinc/44/09/47/557440947.db2.gz NSUYNWCWXSBAPA-UHFFFAOYSA-N 0 1 421.236 3.330 50 10 HGCAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000004330496 558262266 /nfs/dbraw/zinc/26/22/66/558262266.db2.gz WCAFJEKFPGYCAD-HXUWFJFHSA-N 0 1 414.937 3.298 50 10 HGCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccccc4N(C)C)C3)CC2)cc1 ZINC000055099984 558872327 /nfs/dbraw/zinc/87/23/27/558872327.db2.gz QCLISXQLYLSPEQ-OAQYLSRUSA-N 0 1 422.573 3.188 50 10 HGCAMN CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)N2CCCC2)cc1 ZINC000005099021 559244723 /nfs/dbraw/zinc/24/47/23/559244723.db2.gz JWNPIWMODXYZTH-JOCHJYFZSA-N 0 1 401.576 3.052 50 10 HGCAMN CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c([O-])c2[C@H]([NH+]2CCCCC2)[C@@H]1O ZINC000005118973 559247466 /nfs/dbraw/zinc/24/74/66/559247466.db2.gz LTAZBMAAZPCUIX-NUACWBKLSA-N 0 1 414.546 3.477 50 10 biogenic HGCAMN O=C1NC(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1 ZINC000001185070 560727756 /nfs/dbraw/zinc/72/77/56/560727756.db2.gz ALVVQWFMFSXROR-UHFFFAOYSA-N 0 1 401.762 3.417 50 10 HGCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc4c(c2)OCO4)C1)CCC3 ZINC000012296342 568462489 /nfs/dbraw/zinc/46/24/89/568462489.db2.gz QUVABAIZQJMEOE-HNNXBMFYSA-N 0 1 404.422 3.463 50 10 biogenic HGCAMN COc1cc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc2c1OCCO2 ZINC000012389321 568691250 /nfs/dbraw/zinc/69/12/50/568691250.db2.gz FPYKOEABFFURIH-CQSZACIVSA-N 0 1 422.437 3.334 50 10 HGCAMN COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c1C ZINC000002832464 568812671 /nfs/dbraw/zinc/81/26/71/568812671.db2.gz PAKMJMBCGXWATI-GZTJUZNOSA-N 0 1 415.877 3.067 50 10 HGCAMN Cc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 ZINC000035597256 569045689 /nfs/dbraw/zinc/04/56/89/569045689.db2.gz SCYOKZWIQDDPEZ-HSZRJFAPSA-N 0 1 407.562 3.098 50 10 HGCAMN COc1cc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc(OC)c1OC ZINC000002277540 569327874 /nfs/dbraw/zinc/32/78/74/569327874.db2.gz GRMQLPOFNLLECV-LFIBNONCSA-N 0 1 414.458 3.065 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000000638253 132229520 /nfs/dbraw/zinc/22/95/20/132229520.db2.gz FGOZTRCJPDXUPC-FUNKKEAFSA-N 0 1 423.538 3.424 50 10 HGCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000001101126 132237094 /nfs/dbraw/zinc/23/70/94/132237094.db2.gz HUOZREGELQUJHO-LDADJPATSA-N 0 1 407.426 3.153 50 10 HGCAMN C[NH+]1CCN(c2cc(NCCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002457298 132254771 /nfs/dbraw/zinc/25/47/71/132254771.db2.gz GMTARCGWXVWYOK-UHFFFAOYSA-N 0 1 420.469 3.068 50 10 HGCAMN CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000003004785 132261548 /nfs/dbraw/zinc/26/15/48/132261548.db2.gz QFSXKPACOVGYCC-PDGQHHTCSA-N 0 1 423.494 3.224 50 10 HGCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000004673373 132282082 /nfs/dbraw/zinc/28/20/82/132282082.db2.gz PZQVPAFQTJPUDU-WUXMJOGZSA-N 0 1 406.822 3.025 50 10 HGCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccccc1N1CCCCC1 ZINC000005757221 132307856 /nfs/dbraw/zinc/30/78/56/132307856.db2.gz QUKWESXOJWPYRU-OBGWFSINSA-N 0 1 404.470 3.251 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000001195983 536596779 /nfs/dbraw/zinc/59/67/79/536596779.db2.gz ZTIVVMOGSOXJOP-NTEUORMPSA-N 0 1 402.859 3.189 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1F ZINC000004330717 558262589 /nfs/dbraw/zinc/26/25/89/558262589.db2.gz TZZJBFKHYVQAJT-NRFANRHFSA-N 0 1 412.509 3.092 50 10 HGCAMN CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000004330697 558262594 /nfs/dbraw/zinc/26/25/94/558262594.db2.gz GOLKIDJECKLHOS-JOCHJYFZSA-N 0 1 424.545 3.043 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)C3(n4cccc4)CCCCC3)CC2)cc1 ZINC000033019324 558835890 /nfs/dbraw/zinc/83/58/90/558835890.db2.gz LIANJAHQUGUJNG-UHFFFAOYSA-N 0 1 424.589 3.485 50 10 HGCAMN COc1ccc(N2CCN(C[C@@H](O)COC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023114557 559012666 /nfs/dbraw/zinc/01/26/66/559012666.db2.gz PZUSFRIBRFPPFL-GPUVRGFBSA-N 0 1 400.563 3.164 50 10 HGCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000004817165 559114454 /nfs/dbraw/zinc/11/44/54/559114454.db2.gz PVIQKBHTNPHQMU-WQRHYEAKSA-N 0 1 411.433 3.040 50 10 HGCAMN CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N(C)C)cc1 ZINC000005098886 559244528 /nfs/dbraw/zinc/24/45/28/559244528.db2.gz BBMVRBLAYVODLG-JOCHJYFZSA-N 0 1 401.576 3.213 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000018176754 560781559 /nfs/dbraw/zinc/78/15/59/560781559.db2.gz OYWFAMIPNKGBTB-UHFFFAOYSA-N 0 1 404.461 3.307 50 10 HGCAMN COc1ccc(OC)c(-c2c(C)c3ccc([O-])c(C[NH+]4CCOCC4)c3oc2=O)c1 ZINC000020612438 568637498 /nfs/dbraw/zinc/63/74/98/568637498.db2.gz CDDAJNATQBYONW-UHFFFAOYSA-N 0 1 411.454 3.323 50 10 biogenic HGCAMN CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(F)cc2)c1 ZINC000001178517 568821516 /nfs/dbraw/zinc/82/15/16/568821516.db2.gz QSKPMTNLBCWWKO-UHFFFAOYSA-N 0 1 411.433 3.000 50 10 HGCAMN COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1 ZINC000003773564 568868285 /nfs/dbraw/zinc/86/82/85/568868285.db2.gz HLIGUURFMRVECM-NTEUORMPSA-N 0 1 406.510 3.312 50 10 HGCAMN CCCc1c(C)c2ccc(O)c(CN3CCN(C(=O)c4ccco4)CC3)c2oc1=O ZINC000015834022 569012785 /nfs/dbraw/zinc/01/27/85/569012785.db2.gz TZSDSRGPVQDBDQ-UHFFFAOYSA-N 0 1 410.470 3.311 50 10 HGCAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000067284206 571063306 /nfs/dbraw/zinc/06/33/06/571063306.db2.gz VHIQKTZONYJMQV-UHFFFAOYSA-N 0 1 406.490 3.082 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000008799045 571120359 /nfs/dbraw/zinc/12/03/59/571120359.db2.gz UKZLEQMHYJHSLG-QHCPKHFHSA-N 0 1 413.587 3.493 50 10 HGCAMN CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000008801573 571120688 /nfs/dbraw/zinc/12/06/88/571120688.db2.gz VWOGCRXTQNFYLH-QFIPXVFZSA-N 0 1 417.550 3.324 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C ZINC000008964187 571191019 /nfs/dbraw/zinc/19/10/19/571191019.db2.gz PFTANCMGMNQIOA-QHCPKHFHSA-N 0 1 420.557 3.188 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000000638257 132229531 /nfs/dbraw/zinc/22/95/31/132229531.db2.gz FGOZTRCJPDXUPC-GUBFPNNNSA-N 0 1 423.538 3.424 50 10 HGCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000004616074 132280144 /nfs/dbraw/zinc/28/01/44/132280144.db2.gz MZHGNVIMDHHLCS-SDNWHVSQSA-N 0 1 414.458 3.454 50 10 HGCAMN COCC[NH+](CCOC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000041584388 523716527 /nfs/dbraw/zinc/71/65/27/523716527.db2.gz WECIHNXXGJOLLM-UHFFFAOYSA-N 0 1 413.470 3.269 50 10 HGCAMN COc1ccc(N2CCN([C@@H]3CCCN(Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000020598339 524432254 /nfs/dbraw/zinc/43/22/54/524432254.db2.gz OTTLISISSFSICC-OAQYLSRUSA-N 0 1 419.573 3.369 50 10 HGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCC3)ccc21 ZINC000009135597 536397783 /nfs/dbraw/zinc/39/77/83/536397783.db2.gz QFJUPFYNIGVFNK-QFIPXVFZSA-N 0 1 424.520 3.100 50 10 HGCAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1 ZINC000001162836 536657916 /nfs/dbraw/zinc/65/79/16/536657916.db2.gz YAWKHKLHAFMUTH-GHRIWEEISA-N 0 1 421.453 3.456 50 10 HGCAMN Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1 ZINC000001179136 557229287 /nfs/dbraw/zinc/22/92/87/557229287.db2.gz COWXEGSMQJZIJB-UHFFFAOYSA-N 0 1 415.243 3.086 50 10 HGCAMN COC(=O)c1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000008396943 557786041 /nfs/dbraw/zinc/78/60/41/557786041.db2.gz TXKMNRPAFWRGMP-UHFFFAOYSA-N 0 1 421.430 3.049 50 10 HGCAMN COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000012622656 558440061 /nfs/dbraw/zinc/44/00/61/558440061.db2.gz GLFJCAHYRICIAR-FDIDWWNZSA-N 0 1 424.503 3.229 50 10 HGCAMN COc1ccc(C=C2SC(=S)N(C3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000012622656 558440064 /nfs/dbraw/zinc/44/00/64/558440064.db2.gz GLFJCAHYRICIAR-FDIDWWNZSA-N 0 1 424.503 3.229 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(O)c1 ZINC000013539870 558537475 /nfs/dbraw/zinc/53/74/75/558537475.db2.gz OLCVDZMPUUHDMZ-MTJSOVHGSA-N 0 1 415.449 3.462 50 10 HGCAMN C[NH+]1CCN(c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)CC1 ZINC000013546793 558538045 /nfs/dbraw/zinc/53/80/45/558538045.db2.gz YBRCFBIPFCDMKM-VBKFSLOCSA-N 0 1 414.849 3.192 50 10 HGCAMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000003098771 558749055 /nfs/dbraw/zinc/74/90/55/558749055.db2.gz ALUVJWJEOMNYFG-XNTDXEJSSA-N 0 1 415.243 3.120 50 10 HGCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccccc4N(C)C)C3)CC2)cc1 ZINC000055099981 558872224 /nfs/dbraw/zinc/87/22/24/558872224.db2.gz QCLISXQLYLSPEQ-NRFANRHFSA-N 0 1 422.573 3.188 50 10 HGCAMN COc1ccc(N2CCN(CCc3cc(OC)c(OC)c(OC)c3)C[C@H]2C)cc1 ZINC000055112107 558873040 /nfs/dbraw/zinc/87/30/40/558873040.db2.gz OVOLWPCBVFFBNB-QGZVFWFLSA-N 0 1 400.519 3.474 50 10 HGCAMN COc1ccccc1N1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)NC1=S ZINC000102500901 560812486 /nfs/dbraw/zinc/81/24/86/560812486.db2.gz AFOMGVIMJHBDCY-SSZFMOIBSA-N 0 1 420.494 3.052 50 10 HGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000001178426 568821489 /nfs/dbraw/zinc/82/14/89/568821489.db2.gz FJZHOZBTEBGNKS-UHFFFAOYSA-N 0 1 421.236 3.330 50 10 HGCAMN O=C1NC(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N1 ZINC000002978260 568832831 /nfs/dbraw/zinc/83/28/31/568832831.db2.gz VVZMAMLCJPLOPF-UHFFFAOYSA-N 0 1 409.829 3.123 50 10 HGCAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2c([O-])ccc3c4c(c(=O)oc32)CCCC4)C1 ZINC000524729518 569051640 /nfs/dbraw/zinc/05/16/40/569051640.db2.gz WOQOFFHMNNRJSM-CVEARBPZSA-N 0 1 418.493 3.158 50 10 biogenic HGCAMN CCc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 ZINC000013576545 569256120 /nfs/dbraw/zinc/25/61/20/569256120.db2.gz VFVJXDBBMLCXDG-WJDWOHSUSA-N 0 1 418.234 3.315 50 10 HGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000013007999 569406808 /nfs/dbraw/zinc/40/68/08/569406808.db2.gz UCVVBXYPTIVXMJ-QFIPXVFZSA-N 0 1 424.520 3.100 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007874 569406885 /nfs/dbraw/zinc/40/68/85/569406885.db2.gz HSACVGRAYPXUIL-HSZRJFAPSA-N 0 1 420.557 3.269 50 10 HGCAMN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C ZINC000008798830 571120476 /nfs/dbraw/zinc/12/04/76/571120476.db2.gz HFLGLGLPZJFRFN-FQEVSTJZSA-N 0 1 407.967 3.304 50 10 HGCAMN COc1ccc(NC(=S)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004624051 132280637 /nfs/dbraw/zinc/28/06/37/132280637.db2.gz CEEVRDXZAWPQMI-UHFFFAOYSA-N 0 1 414.575 3.203 50 10 HGCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000005947557 132308795 /nfs/dbraw/zinc/30/87/95/132308795.db2.gz PKSOCWXMKVPRCA-RGEXLXHISA-N 0 1 408.458 3.120 50 10 HGCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005595828 536654994 /nfs/dbraw/zinc/65/49/94/536654994.db2.gz OJNBOVJASMAAAJ-XNTDXEJSSA-N 0 1 401.875 3.401 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000002805875 557393075 /nfs/dbraw/zinc/39/30/75/557393075.db2.gz UGKDOANFRSWTEM-OQLLNIDSSA-N 0 1 416.275 3.257 50 10 HGCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 ZINC000004330513 558262358 /nfs/dbraw/zinc/26/23/58/558262358.db2.gz CIKPECMBKCDSAJ-QFIPXVFZSA-N 0 1 408.546 3.261 50 10 HGCAMN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000004330722 558262608 /nfs/dbraw/zinc/26/26/08/558262608.db2.gz LYUZEJMNMXIDLQ-QFIPXVFZSA-N 0 1 408.546 3.207 50 10 HGCAMN CCOc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1O ZINC000023374108 558554181 /nfs/dbraw/zinc/55/41/81/558554181.db2.gz NLZOUYGLYYCKLF-SFHVURJKSA-N 0 1 406.473 3.138 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000024088691 558588295 /nfs/dbraw/zinc/58/82/95/558588295.db2.gz RJGAQSNTMZRKHW-UHFFFAOYSA-N 0 1 404.514 3.186 50 10 HGCAMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000013575518 558844107 /nfs/dbraw/zinc/84/41/07/558844107.db2.gz CSLTYBHPPLEDOC-UHFFFAOYSA-N 0 1 421.236 3.330 50 10 HGCAMN COc1ccc(N2CCN(C[C@H](O)COCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023115040 559012618 /nfs/dbraw/zinc/01/26/18/559012618.db2.gz UYQPMEDXEJQYRZ-RZTYHALVSA-N 0 1 414.590 3.411 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)COc3c(C)cccc3C)CC2)cc1 ZINC000024088528 559190033 /nfs/dbraw/zinc/19/00/33/559190033.db2.gz BICOGDKBDWXFKT-UHFFFAOYSA-N 0 1 411.546 3.019 50 10 HGCAMN COc1ccc2c3c(n(CCc4cnc[nH]4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404801 568492438 /nfs/dbraw/zinc/49/24/38/568492438.db2.gz LHBHDLGUPZSVIQ-UHFFFAOYSA-N 0 1 401.422 3.196 50 10 biogenic HGCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000000832866 568511709 /nfs/dbraw/zinc/51/17/09/568511709.db2.gz RLHWGECDSHZPPG-SXGWCWSVSA-N 0 1 414.845 3.434 50 10 HGCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\NC(=O)NC3=O)c1C)CCCC2 ZINC000001410552 568930145 /nfs/dbraw/zinc/93/01/45/568930145.db2.gz MEGXSDCFWCVDID-GDNBJRDFSA-N 0 1 413.499 3.391 50 10 HGCAMN CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)s1 ZINC000008798867 571120473 /nfs/dbraw/zinc/12/04/73/571120473.db2.gz BFWIYGIBMKISRV-LJQANCHMSA-N 0 1 407.605 3.274 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000009010566 132228000 /nfs/dbraw/zinc/22/80/00/132228000.db2.gz SLRLXWMFRYGUCB-GZTJUZNOSA-N 0 1 420.469 3.460 50 10 HGCAMN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc21 ZINC000003307602 132264381 /nfs/dbraw/zinc/26/43/81/132264381.db2.gz DXKUZRNURNZDIK-UHFFFAOYSA-N 0 1 405.498 3.453 50 10 HGCAMN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000044910889 526681988 /nfs/dbraw/zinc/68/19/88/526681988.db2.gz GCCGATIVTQAJNX-UHFFFAOYSA-N 0 1 411.521 3.191 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1C ZINC000004330628 558262622 /nfs/dbraw/zinc/26/26/22/558262622.db2.gz YSTARAYNHNGFNR-QFIPXVFZSA-N 0 1 408.546 3.261 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1O ZINC000013655854 558558831 /nfs/dbraw/zinc/55/88/31/558558831.db2.gz JJLRNDZGVDNUOM-BOPFTXTBSA-N 0 1 405.410 3.055 50 10 HGCAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OC ZINC000013915205 558602158 /nfs/dbraw/zinc/60/21/58/558602158.db2.gz SGCFIHWZFUALFV-ZSOIEALJSA-N 0 1 400.818 3.019 50 10 HGCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000025264979 558636165 /nfs/dbraw/zinc/63/61/65/558636165.db2.gz CRYRDOHHWHMZED-GOSISDBHSA-N 0 1 421.335 3.020 50 10 HGCAMN CCOc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1O ZINC000039543400 558822117 /nfs/dbraw/zinc/82/21/17/558822117.db2.gz NLZOUYGLYYCKLF-GOSISDBHSA-N 0 1 406.473 3.138 50 10 HGCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000004839146 559167029 /nfs/dbraw/zinc/16/70/29/559167029.db2.gz QZFCSQMVFKMKBN-NVNXTCNLSA-N 0 1 400.818 3.044 50 10 HGCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1cccnc1)CC(=O)O2 ZINC000096114551 568694271 /nfs/dbraw/zinc/69/42/71/568694271.db2.gz AWCSCIFTABHQHU-ZDUSSCGKSA-N 0 1 417.373 3.413 50 10 biogenic HGCAMN CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 ZINC000334163441 568764046 /nfs/dbraw/zinc/76/40/46/568764046.db2.gz SDTJBCGBEUROHN-ZHZULCJRSA-N 0 1 407.470 3.169 50 10 HGCAMN [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(Cl)cc(Cl)c2[O-])N1)OCCCO4 ZINC000012550430 568853083 /nfs/dbraw/zinc/85/30/83/568853083.db2.gz IBRYRTHFXVBQEW-MRXNPFEDSA-N 0 1 420.256 3.306 50 10 HGCAMN Cc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 ZINC000035597255 569045720 /nfs/dbraw/zinc/04/57/20/569045720.db2.gz SCYOKZWIQDDPEZ-QHCPKHFHSA-N 0 1 407.562 3.098 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007876 569406889 /nfs/dbraw/zinc/40/68/89/569406889.db2.gz HSACVGRAYPXUIL-QHCPKHFHSA-N 0 1 420.557 3.269 50 10 HGCAMN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(Br)cc1O)C2O ZINC000019323139 569418739 /nfs/dbraw/zinc/41/87/39/569418739.db2.gz ZMONXTLCRZNSKN-UHFFFAOYSA-N 0 1 409.368 3.444 50 10 biogenic HGCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008964194 571191081 /nfs/dbraw/zinc/19/10/81/571191081.db2.gz UIIIKFBGTCUHAL-HSZRJFAPSA-N 0 1 420.557 3.188 50 10 HGCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001095172 132237051 /nfs/dbraw/zinc/23/70/51/132237051.db2.gz BOXPNZMEHKIUEL-RVDMUPIBSA-N 0 1 401.875 3.365 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3cccc(OC)c3)C2=O)cc1 ZINC000002355203 132253245 /nfs/dbraw/zinc/25/32/45/132253245.db2.gz CPCJZUZSRSQFIM-XMHGGMMESA-N 0 1 424.526 3.285 50 10 HGCAMN COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000034846409 557468993 /nfs/dbraw/zinc/46/89/93/557468993.db2.gz GLFJCAHYRICIAR-KTZOAPACSA-N 0 1 424.503 3.229 50 10 HGCAMN COc1ccc(C=C2SC(=S)N(C3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1 ZINC000034846409 557468995 /nfs/dbraw/zinc/46/89/95/557468995.db2.gz GLFJCAHYRICIAR-KTZOAPACSA-N 0 1 424.503 3.229 50 10 HGCAMN CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000004330726 558262592 /nfs/dbraw/zinc/26/25/92/558262592.db2.gz LYUZEJMNMXIDLQ-JOCHJYFZSA-N 0 1 408.546 3.207 50 10 HGCAMN Cc1cccc(OCCn2cccc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 ZINC000013552040 558539387 /nfs/dbraw/zinc/53/93/87/558539387.db2.gz CWEAJHXLLCZARC-XSFVSMFZSA-N 0 1 419.437 3.131 50 10 HGCAMN Cc1c(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(Cl)nn1-c1ccccc1 ZINC000015945506 558763405 /nfs/dbraw/zinc/76/34/05/558763405.db2.gz HISYMYQKRWOQMQ-LDADJPATSA-N 0 1 420.856 3.496 50 10 HGCAMN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005098959 559244640 /nfs/dbraw/zinc/24/46/40/559244640.db2.gz RUJBSJSWBYABMS-FQEVSTJZSA-N 0 1 417.575 3.185 50 10 HGCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005341044 560567708 /nfs/dbraw/zinc/56/77/08/560567708.db2.gz HKGNXVNZRMONIF-NRFANRHFSA-N 0 1 408.546 3.261 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000022135449 568475827 /nfs/dbraw/zinc/47/58/27/568475827.db2.gz JIQJQGGBYVQVLK-XNTDXEJSSA-N 0 1 417.284 3.289 50 10 HGCAMN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1[O-] ZINC000096009175 568683404 /nfs/dbraw/zinc/68/34/04/568683404.db2.gz XDWLCSSIQPQFCB-DYVFJYSZSA-N 0 1 401.370 3.013 50 10 HGCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000001066979 568766628 /nfs/dbraw/zinc/76/66/28/568766628.db2.gz OLJKFVWIVFPERB-XSFVSMFZSA-N 0 1 407.470 3.203 50 10 HGCAMN CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCN(C)CC2)cc1 ZINC000022589404 568771162 /nfs/dbraw/zinc/77/11/62/568771162.db2.gz PCHIDKASECONBV-LKUXSMQASA-N 0 1 424.633 3.374 50 10 HGCAMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)cc4OC)[nH]n3)CC2)cc1 ZINC000057477158 568839491 /nfs/dbraw/zinc/83/94/91/568839491.db2.gz UVQPGVWYRHCHPY-UHFFFAOYSA-N 0 1 422.485 3.065 50 10 HGCAMN COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000016681119 569070382 /nfs/dbraw/zinc/07/03/82/569070382.db2.gz GQWVPPAQWAALCB-ZROIWOOFSA-N 0 1 415.243 3.120 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000008801593 571120767 /nfs/dbraw/zinc/12/07/67/571120767.db2.gz YVPJDYVLUITWGM-HSZRJFAPSA-N 0 1 413.587 3.493 50 10 HGCAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008964135 571190727 /nfs/dbraw/zinc/19/07/27/571190727.db2.gz JKHJSLWWPFDGNB-QHCPKHFHSA-N 0 1 420.557 3.133 50 10 HGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccco1 ZINC000001101109 132237116 /nfs/dbraw/zinc/23/71/16/132237116.db2.gz STVGXGDGOSEQDW-GSPDUGTFSA-N 0 1 403.257 3.430 50 10 HGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCCC3)ccc21 ZINC000009138392 132336620 /nfs/dbraw/zinc/33/66/20/132336620.db2.gz CQRCEEHYQUBYJJ-HSZRJFAPSA-N 0 1 420.557 3.351 50 10 HGCAMN COc1ccc(N2C(=O)/C(=C/c3cn(C(C)=O)c4ccccc34)C(=O)NC2=S)cc1 ZINC000000712440 536658315 /nfs/dbraw/zinc/65/83/15/536658315.db2.gz MZCBTUKHBLHMNI-WOJGMQOQSA-N 0 1 419.462 3.141 50 10 HGCAMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1 ZINC000004458816 536659483 /nfs/dbraw/zinc/65/94/83/536659483.db2.gz YAWKHKLHAFMUTH-LGMDPLHJSA-N 0 1 421.453 3.456 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000009919422 536697150 /nfs/dbraw/zinc/69/71/50/536697150.db2.gz YHWVWYOLDRSWLD-UHFFFAOYSA-N 0 1 417.937 3.056 50 10 HGCAMN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000003832806 557499305 /nfs/dbraw/zinc/49/93/05/557499305.db2.gz OMOFWPHAYNNIFC-UHFFFAOYSA-N 0 1 408.391 3.171 50 10 HGCAMN Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000005611671 557665151 /nfs/dbraw/zinc/66/51/51/557665151.db2.gz WSSZSFBJFPMOGL-PDGQHHTCSA-N 0 1 418.906 3.309 50 10 HGCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000013511798 558535705 /nfs/dbraw/zinc/53/57/05/558535705.db2.gz XEWSSPDJKUKTLM-ODLFYWEKSA-N 0 1 420.469 3.460 50 10 HGCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000025264983 558636150 /nfs/dbraw/zinc/63/61/50/558636150.db2.gz CRYRDOHHWHMZED-SFHVURJKSA-N 0 1 421.335 3.020 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC000028065208 558690564 /nfs/dbraw/zinc/69/05/64/558690564.db2.gz KPZWUOXGDZARCU-UHFFFAOYSA-N 0 1 419.472 3.239 50 10 HGCAMN COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000015769307 558752344 /nfs/dbraw/zinc/75/23/44/558752344.db2.gz HWQNNSWVSQPUFR-GZTJUZNOSA-N 0 1 419.462 3.486 50 10 HGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc32)CC1 ZINC000020391835 568603866 /nfs/dbraw/zinc/60/38/66/568603866.db2.gz GPUCVLWFGMXDQH-UHFFFAOYSA-N 0 1 422.481 3.074 50 10 HGCAMN Cn1nccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096114384 568694082 /nfs/dbraw/zinc/69/40/82/568694082.db2.gz WVDWHQWISUOYIC-GFCCVEGCSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN Cn1nccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114384 568694084 /nfs/dbraw/zinc/69/40/84/568694084.db2.gz WVDWHQWISUOYIC-GFCCVEGCSA-N 0 1 404.378 3.046 50 10 biogenic HGCAMN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000022589090 568770881 /nfs/dbraw/zinc/77/08/81/568770881.db2.gz BTTMWFIVFUFDNG-DEOSSOPVSA-N 0 1 424.589 3.258 50 10 HGCAMN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000022589094 568770967 /nfs/dbraw/zinc/77/09/67/568770967.db2.gz BTTMWFIVFUFDNG-XMMPIXPASA-N 0 1 424.589 3.258 50 10 HGCAMN CCOC(=O)C1C(CN(C)Cc2ccc(N(C)C)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057270707 568825400 /nfs/dbraw/zinc/82/54/00/568825400.db2.gz ONVOVSIOPMECIP-JOCHJYFZSA-N 0 1 422.529 3.056 50 10 HGCAMN [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(Cl)cc(Cl)c2[O-])N1)OCCCO4 ZINC000012550427 568853075 /nfs/dbraw/zinc/85/30/75/568853075.db2.gz IBRYRTHFXVBQEW-INIZCTEOSA-N 0 1 420.256 3.306 50 10 HGCAMN O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Br)cc2F)C(=O)N1 ZINC000004050223 568880492 /nfs/dbraw/zinc/88/04/92/568880492.db2.gz TWOSVNVVRBYLFE-UHFFFAOYSA-N 0 1 405.179 3.130 50 10 HGCAMN CCC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000015658719 568959675 /nfs/dbraw/zinc/95/96/75/568959675.db2.gz GBXGECKOBKLYFH-DHDCSXOGSA-N 0 1 414.845 3.434 50 10 HGCAMN COc1ccc(N2CCN(C(=O)c3[nH]nnc3Nc3ccc(Cl)cc3)CC2)cc1 ZINC000067284328 571063570 /nfs/dbraw/zinc/06/35/70/571063570.db2.gz YZGFDYWZFRARRL-UHFFFAOYSA-N 0 1 412.881 3.173 50 10 HGCAMN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 ZINC000008798897 571120513 /nfs/dbraw/zinc/12/05/13/571120513.db2.gz JWBJGXBOZUVTOP-NRFANRHFSA-N 0 1 401.576 3.267 50 10 HGCAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008964136 571190891 /nfs/dbraw/zinc/19/08/91/571190891.db2.gz JKHJSLWWPFDGNB-HSZRJFAPSA-N 0 1 420.557 3.133 50 10 HGCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001194874 132241410 /nfs/dbraw/zinc/24/14/10/132241410.db2.gz XJSUCWIRIMJSFG-MDWZMJQESA-N 0 1 413.411 3.284 50 10 HGCAMN CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)C(=O)NC2=S)cc1 ZINC000004742276 132287107 /nfs/dbraw/zinc/28/71/07/132287107.db2.gz HYBZSKQMHGBUQO-GDNBJRDFSA-N 0 1 402.859 3.276 50 10 HGCAMN Cc1ccc(N2C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C(=O)NC2=S)cc1 ZINC000006897979 132319970 /nfs/dbraw/zinc/31/99/70/132319970.db2.gz LYPRZQFFNFKLBW-BSKAQADGSA-N 0 1 421.526 3.165 50 10 HGCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000009076622 132335527 /nfs/dbraw/zinc/33/55/27/132335527.db2.gz MTYLFVFKTZWTEM-SAPNQHFASA-N 0 1 424.526 3.285 50 10 HGCAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OCC)c1 ZINC000012363820 132358998 /nfs/dbraw/zinc/35/89/98/132358998.db2.gz YJVQKEMSDAKAHB-PTNGSMBKSA-N 0 1 414.458 3.454 50 10 HGCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000032763946 524422708 /nfs/dbraw/zinc/42/27/08/524422708.db2.gz BUFPRLAKZUFLAS-UHFFFAOYSA-N 0 1 419.472 3.239 50 10 HGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCC3)ccc21 ZINC000009135580 536397426 /nfs/dbraw/zinc/39/74/26/536397426.db2.gz JAWRWPRYVSXNPO-QFIPXVFZSA-N 0 1 424.520 3.100 50 10 HGCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000001178806 557228991 /nfs/dbraw/zinc/22/89/91/557228991.db2.gz RCZBMURTXUZQQS-NTUHNPAUSA-N 0 1 420.238 3.087 50 10 HGCAMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003877714 557502092 /nfs/dbraw/zinc/50/20/92/557502092.db2.gz SMCWXJPWOABBDE-UHFFFAOYSA-N 0 1 420.446 3.221 50 10 HGCAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000004330568 558262335 /nfs/dbraw/zinc/26/23/35/558262335.db2.gz RYRWKNNBEMUKLV-JOCHJYFZSA-N 0 1 408.546 3.207 50 10 HGCAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCCC2)cc1 ZINC000004330504 558262340 /nfs/dbraw/zinc/26/23/40/558262340.db2.gz VJSWHXPHAXOPCP-HXUWFJFHSA-N 0 1 414.937 3.298 50 10 HGCAMN O=C1NC(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N1 ZINC000004560266 558727085 /nfs/dbraw/zinc/72/70/85/558727085.db2.gz VTSNIEXMYZEDQN-UHFFFAOYSA-N 0 1 409.829 3.123 50 10 HGCAMN C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(C)CC1 ZINC000033334494 559063483 /nfs/dbraw/zinc/06/34/83/559063483.db2.gz XWYGQPITEXYHRX-KAMYIIQDSA-N 0 1 409.437 3.083 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCCC2)cc1 ZINC000005340803 560567698 /nfs/dbraw/zinc/56/76/98/560567698.db2.gz YXLZQQBHNVNLCJ-QFIPXVFZSA-N 0 1 412.578 3.012 50 10 HGCAMN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c(C)c1 ZINC000008800540 560639466 /nfs/dbraw/zinc/63/94/66/560639466.db2.gz RMWPITAQOWXWKR-NRFANRHFSA-N 0 1 401.576 3.185 50 10 HGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000001185116 560727763 /nfs/dbraw/zinc/72/77/63/560727763.db2.gz WMIIYDPWUVJLES-UHFFFAOYSA-N 0 1 416.433 3.485 50 10 HGCAMN Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cc(O)cc(Br)c3[O-])cn2)n1 ZINC000095467805 568624740 /nfs/dbraw/zinc/62/47/40/568624740.db2.gz OEYOVYSNAQEJCZ-UHFFFAOYSA-N 0 1 403.280 3.348 50 10 HGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3cc(-c4cc(OC)ccc4OC)c(=O)oc32)CC1 ZINC000020755932 568641490 /nfs/dbraw/zinc/64/14/90/568641490.db2.gz WFNXXCNANCHJHN-UHFFFAOYSA-N 0 1 424.497 3.320 50 10 biogenic HGCAMN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1[O-] ZINC000096009172 568683410 /nfs/dbraw/zinc/68/34/10/568683410.db2.gz XDWLCSSIQPQFCB-SUMWQHHRSA-N 0 1 401.370 3.013 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022589282 568771280 /nfs/dbraw/zinc/77/12/80/568771280.db2.gz PKEIVDPXTADJBZ-NRFANRHFSA-N 0 1 400.954 3.125 50 10 HGCAMN COc1cc(Br)c(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC ZINC000001193288 568823069 /nfs/dbraw/zinc/82/30/69/568823069.db2.gz JHQHDIOGOXFTEM-RIYZIHGNSA-N 0 1 417.259 3.236 50 10 HGCAMN Cc1cccc(C)c1OCCOc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O ZINC000002977329 568832632 /nfs/dbraw/zinc/83/26/32/568832632.db2.gz SNCCQJMXYQLTLI-UHFFFAOYSA-N 0 1 414.845 3.164 50 10 HGCAMN Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)c(C)c1 ZINC000002977615 568832808 /nfs/dbraw/zinc/83/28/08/568832808.db2.gz ZEHTXGDRHCGSHR-UHFFFAOYSA-N 0 1 403.438 3.087 50 10 HGCAMN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(OC)c1 ZINC000003773558 568868261 /nfs/dbraw/zinc/86/82/61/568868261.db2.gz RQMBCJNZGBMZMB-RIYZIHGNSA-N 0 1 406.510 3.312 50 10 HGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21 ZINC000013007983 569406756 /nfs/dbraw/zinc/40/67/56/569406756.db2.gz XLFHRRAGIQQMED-QFIPXVFZSA-N 0 1 424.520 3.100 50 10 HGCAMN Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)ccc1F ZINC000008798902 571120329 /nfs/dbraw/zinc/12/03/29/571120329.db2.gz UKEDQRPAPFURNN-OAQYLSRUSA-N 0 1 405.539 3.098 50 10 HGCAMN CN(C)[C@H](CNS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)CCCN2C ZINC000008798796 571120545 /nfs/dbraw/zinc/12/05/45/571120545.db2.gz IRORSHBQTMHVGJ-LJQANCHMSA-N 0 1 407.967 3.304 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1F ZINC000008964116 571190773 /nfs/dbraw/zinc/19/07/73/571190773.db2.gz FTFDJNFLSHBVHP-JOCHJYFZSA-N 0 1 424.520 3.018 50 10 HGCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000004742999 132287050 /nfs/dbraw/zinc/28/70/50/132287050.db2.gz FZKADEYBCRIIMZ-NTUHNPAUSA-N 0 1 402.859 3.194 50 10 HGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc32)CC1 ZINC000020567639 521686423 /nfs/dbraw/zinc/68/64/23/521686423.db2.gz YZDGDBVMPXJWAN-UHFFFAOYSA-N 0 1 424.497 3.320 50 10 biogenic HGCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000005337404 557645550 /nfs/dbraw/zinc/64/55/50/557645550.db2.gz PHUMVGUYCMWMSI-GDNBJRDFSA-N 0 1 400.276 3.285 50 10 HGCAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCCC2)cc1 ZINC000004330603 558262305 /nfs/dbraw/zinc/26/23/05/558262305.db2.gz WABRMFDHENTYMQ-HXUWFJFHSA-N 0 1 414.937 3.298 50 10 HGCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 ZINC000004330662 558262606 /nfs/dbraw/zinc/26/26/06/558262606.db2.gz UORMODAVEQLWQK-JOCHJYFZSA-N 0 1 408.546 3.261 50 10 HGCAMN COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1OC(C)C ZINC000015012814 558700905 /nfs/dbraw/zinc/70/09/05/558700905.db2.gz WZIRKVOSZFXJEZ-WJDWOHSUSA-N 0 1 414.458 3.453 50 10 HGCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)NCc4ccccc4)C3)CC2)cc1 ZINC000055281489 558878450 /nfs/dbraw/zinc/87/84/50/558878450.db2.gz VGDHPUNKXUFLAM-QFIPXVFZSA-N 0 1 408.546 3.191 50 10 HGCAMN C[C@@H](C(=O)NCCc1cnc[nH]1)N1C(=O)C(=Cc2ccccc2Cl)SC1=S ZINC000033583489 559216058 /nfs/dbraw/zinc/21/60/58/559216058.db2.gz PBPZVVYPXRTQQN-LWHXSLQUSA-N 0 1 420.947 3.012 50 10 HGCAMN CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)N2CCCC2)cc1 ZINC000005099022 559244698 /nfs/dbraw/zinc/24/46/98/559244698.db2.gz JWNPIWMODXYZTH-QFIPXVFZSA-N 0 1 401.576 3.052 50 10 HGCAMN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c(C)c1 ZINC000008800544 560639452 /nfs/dbraw/zinc/63/94/52/560639452.db2.gz RMWPITAQOWXWKR-OAQYLSRUSA-N 0 1 401.576 3.185 50 10 HGCAMN CCCCCCNC=C1C(=O)NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000103019476 560836779 /nfs/dbraw/zinc/83/67/79/560836779.db2.gz PUDDIWFSSYSZDG-JQIJEIRASA-N 0 1 403.479 3.219 50 10 HGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022589287 568771254 /nfs/dbraw/zinc/77/12/54/568771254.db2.gz PKEIVDPXTADJBZ-OAQYLSRUSA-N 0 1 400.954 3.125 50 10 HGCAMN COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(O)c1 ZINC000105607972 569009223 /nfs/dbraw/zinc/00/92/23/569009223.db2.gz CBUPTQRJUFOQDP-OAQYLSRUSA-N 0 1 414.546 3.095 50 10 HGCAMN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008763428 571114413 /nfs/dbraw/zinc/11/44/13/571114413.db2.gz IBZRRPKCGZJMOZ-QPEQYQDCSA-N 0 1 421.481 3.202 50 10 HGCAMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1 ZINC000008801015 571120534 /nfs/dbraw/zinc/12/05/34/571120534.db2.gz ANYNRVZVBICCAA-JOCHJYFZSA-N 0 1 413.587 3.411 50 10 HGCAMN CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CCCC3)ccc21 ZINC000008801037 571120678 /nfs/dbraw/zinc/12/06/78/571120678.db2.gz FVNYBRCDPWRPBI-FQEVSTJZSA-N 0 1 421.513 3.073 50 10 HGCAMN O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n21)Nc1ccc(F)c(Cl)c1 ZINC000009641692 571275923 /nfs/dbraw/zinc/27/59/23/571275923.db2.gz GTCCRHKKUQFZLQ-UHFFFAOYSA-N 0 1 419.825 3.201 50 10 HGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000009135592 132228586 /nfs/dbraw/zinc/22/85/86/132228586.db2.gz WPGARFJFHLDYOA-JOCHJYFZSA-N 0 1 424.520 3.100 50 10 HGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCC3)ccc21 ZINC000009135596 132228751 /nfs/dbraw/zinc/22/87/51/132228751.db2.gz QFJUPFYNIGVFNK-JOCHJYFZSA-N 0 1 424.520 3.100 50 10 HGCAMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S ZINC000004608395 132280116 /nfs/dbraw/zinc/28/01/16/132280116.db2.gz LSQBOUDNELFZOU-QGOAFFKASA-N 0 1 403.463 3.323 50 10 HGCAMN COc1cc(N2C(=O)C(=CC=Cc3ccco3)C(=O)NC2=S)cc(OC)c1OC ZINC000006858304 132319345 /nfs/dbraw/zinc/31/93/45/132319345.db2.gz OSKWUAOCMAIICQ-QHOJYGHMSA-N 0 1 414.439 3.104 50 10 HGCAMN COc1ccc(OC)c(N2C(=O)/C(=C\c3cn(C)c4ccccc34)C(=O)NC2=S)c1 ZINC000009335076 132338754 /nfs/dbraw/zinc/33/87/54/132338754.db2.gz RHKDKCGRYAMNQL-YBEGLDIGSA-N 0 1 421.478 3.027 50 10 HGCAMN COc1ccc(N2CCN([C@H]3CCCN(Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000020598340 524433901 /nfs/dbraw/zinc/43/39/01/524433901.db2.gz OTTLISISSFSICC-NRFANRHFSA-N 0 1 419.573 3.369 50 10 HGCAMN O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)C1=CNCc1ccccc1Cl ZINC000002833222 557398216 /nfs/dbraw/zinc/39/82/16/557398216.db2.gz ZWLDDWRUYNLGFP-GXDHUFHOSA-N 0 1 404.253 3.246 50 10 HGCAMN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1Br ZINC000015659845 558747994 /nfs/dbraw/zinc/74/79/94/558747994.db2.gz FTKSAPYNYFBPPM-ZROIWOOFSA-N 0 1 404.239 3.116 50 10 HGCAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)o1 ZINC000015769778 558752418 /nfs/dbraw/zinc/75/24/18/558752418.db2.gz ZJEUMLDLFUGARS-SFQUDFHCSA-N 0 1 405.366 3.325 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCN(C)CC2)cc1 ZINC000022417337 558990686 /nfs/dbraw/zinc/99/06/86/558990686.db2.gz BUZPKHKICMXFTO-NRFANRHFSA-N 0 1 400.954 3.125 50 10 HGCAMN CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N(C)C)cc1 ZINC000005098887 559244524 /nfs/dbraw/zinc/24/45/24/559244524.db2.gz BBMVRBLAYVODLG-QFIPXVFZSA-N 0 1 401.576 3.213 50 10 HGCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 ZINC000004817252 560875886 /nfs/dbraw/zinc/87/58/86/560875886.db2.gz WFHKXEQHWBWHMD-RGEXLXHISA-N 0 1 407.495 3.127 50 10 HGCAMN COC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(C(=O)OC)c1C ZINC000044827034 560897457 /nfs/dbraw/zinc/89/74/57/560897457.db2.gz IOSRIICGGZIKLL-UVTDQMKNSA-N 0 1 413.455 3.348 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCN(C)CC2)cc1 ZINC000022589219 568770871 /nfs/dbraw/zinc/77/08/71/568770871.db2.gz VTEXCIBGLSUDSD-NRFANRHFSA-N 0 1 400.954 3.125 50 10 HGCAMN CCCc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730577 569211993 /nfs/dbraw/zinc/21/19/93/569211993.db2.gz NUHMKUJIXHDJFR-WBVHZDCISA-N 0 1 406.482 3.232 50 10 biogenic HGCAMN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c(C)c1 ZINC000008798844 571120365 /nfs/dbraw/zinc/12/03/65/571120365.db2.gz FKMLADKNPHXPFS-NRFANRHFSA-N 0 1 401.576 3.267 50 10 HGCAMN CCC(=O)Nc1ccccc1NC=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000009089665 571220260 /nfs/dbraw/zinc/22/02/60/571220260.db2.gz OEAXJONGKNFQJT-PEZBUJJGSA-N 0 1 410.474 3.300 50 10 HGCAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000002292703 132251749 /nfs/dbraw/zinc/25/17/49/132251749.db2.gz OZWJTAQRJKMYNQ-MHWRWJLKSA-N 0 1 414.874 3.042 50 10 HGCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Br)s1 ZINC000009259183 132337685 /nfs/dbraw/zinc/33/76/85/132337685.db2.gz NGDCVTHTWJMULI-VQHVLOKHSA-N 0 1 411.277 3.481 50 10 HGCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1C ZINC000032099660 524988203 /nfs/dbraw/zinc/98/82/03/524988203.db2.gz NTXFGTVKGLSJDV-UNOMPAQXSA-N 0 1 401.422 3.124 50 10 HGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000000753608 536596979 /nfs/dbraw/zinc/59/69/79/536596979.db2.gz JDKRDDMCWLFWQA-OQLLNIDSSA-N 0 1 402.859 3.189 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000004330498 558262374 /nfs/dbraw/zinc/26/23/74/558262374.db2.gz WCAFJEKFPGYCAD-FQEVSTJZSA-N 0 1 414.937 3.298 50 10 HGCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCCC2)cc1 ZINC000004330506 558262378 /nfs/dbraw/zinc/26/23/78/558262378.db2.gz VJSWHXPHAXOPCP-FQEVSTJZSA-N 0 1 414.937 3.298 50 10 HGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1F ZINC000004330720 558262585 /nfs/dbraw/zinc/26/25/85/558262585.db2.gz TZZJBFKHYVQAJT-OAQYLSRUSA-N 0 1 412.509 3.092 50 10 HGCAMN CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000015659688 558747803 /nfs/dbraw/zinc/74/78/03/558747803.db2.gz UJSOKXDFFXYFAB-ZROIWOOFSA-N 0 1 417.259 3.318 50 10 HGCAMN COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1 ZINC000017195703 560703396 /nfs/dbraw/zinc/70/33/96/560703396.db2.gz OEKDGEOKAQDXMB-GZTJUZNOSA-N 0 1 420.377 3.193 50 10 HGCAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1O ZINC000102731327 560822449 /nfs/dbraw/zinc/82/24/49/560822449.db2.gz QTHGDONZKVGCNF-KCZVDYSFSA-N 0 1 416.433 3.452 50 10 HGCAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102731327 560822450 /nfs/dbraw/zinc/82/24/50/560822450.db2.gz QTHGDONZKVGCNF-KCZVDYSFSA-N 0 1 416.433 3.452 50 10 HGCAMN Cc1cc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)ccc1Cl ZINC000001168791 568783484 /nfs/dbraw/zinc/78/34/84/568783484.db2.gz ZZIJPKCVYPWEFU-UHFFFAOYSA-N 0 1 423.856 3.432 50 10 HGCAMN Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013008116 569406879 /nfs/dbraw/zinc/40/68/79/569406879.db2.gz AOBCJGQLHGVIDU-QHCPKHFHSA-N 0 1 420.557 3.269 50 10 HGCAMN