smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4cccs4)c4ccccc34)C(=O)NC2=S)cc1C ZINC000000622465 551502954 /nfs/dbraw/zinc/50/29/54/551502954.db2.gz ZPAVGHWBDVQFDE-YDZHTSKRSA-N 0 1 528.659 4.467 50 10 KICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000000637452 551506352 /nfs/dbraw/zinc/50/63/52/551506352.db2.gz ORFLCKBQYNPZCU-DJKKODMXSA-N 0 1 524.396 4.417 50 10 KICAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O ZINC000000653670 551513100 /nfs/dbraw/zinc/51/31/00/551513100.db2.gz RQZDRTVZZYZJCP-ONNFQVAWSA-N 0 1 502.173 4.301 50 10 KICAMN CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000000658741 551514586 /nfs/dbraw/zinc/51/45/86/551514586.db2.gz FDIBJYGNCBKAJR-DZZSIBQASA-N 0 1 554.381 4.448 50 10 KICAMN CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000000658744 551514658 /nfs/dbraw/zinc/51/46/58/551514658.db2.gz FDIBJYGNCBKAJR-PFSWGADMSA-N 0 1 554.381 4.448 50 10 KICAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000000693779 551527754 /nfs/dbraw/zinc/52/77/54/551527754.db2.gz QEPKYEHQVBQYAG-DHZHZOJOSA-N 0 1 531.215 4.017 50 10 KICAMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000000852839 551549872 /nfs/dbraw/zinc/54/98/72/551549872.db2.gz YRPBJUJIYQKHIT-RIYZIHGNSA-N 0 1 509.223 4.109 50 10 KICAMN CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000000852851 551549861 /nfs/dbraw/zinc/54/98/61/551549861.db2.gz QPNRQSQHSHHCSX-VGOFMYFVSA-N 0 1 587.233 4.292 50 10 KICAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000000997868 551595110 /nfs/dbraw/zinc/59/51/10/551595110.db2.gz PBGYHHIKHIRCDP-WQRHYEAKSA-N 0 1 502.287 4.436 50 10 KICAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c([N+](=O)[O-])cc1OC ZINC000001203541 551623850 /nfs/dbraw/zinc/62/38/50/551623850.db2.gz GDXLRKUWQDZVPB-NTUHNPAUSA-N 0 1 506.334 4.355 50 10 KICAMN COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000001273464 551635340 /nfs/dbraw/zinc/63/53/40/551635340.db2.gz YCTUEAJBEPAVGM-LPYMAVHISA-N 0 1 525.517 4.002 50 10 KICAMN COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000001295081 551637346 /nfs/dbraw/zinc/63/73/46/551637346.db2.gz UESXRTPKKXHHLM-LPYMAVHISA-N 0 1 541.585 4.480 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000001315986 551640605 /nfs/dbraw/zinc/64/06/05/551640605.db2.gz LJXNRCKOTYLNFS-QPPCPWFDSA-N 0 1 509.518 4.166 50 10 KICAMN CCOC(=O)c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 ZINC000001440502 551672902 /nfs/dbraw/zinc/67/29/02/551672902.db2.gz FUHIUOJBVQGWJX-PBXDPIQXSA-N 0 1 500.985 4.050 50 10 KICAMN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 ZINC000001440502 551672901 /nfs/dbraw/zinc/67/29/01/551672901.db2.gz FUHIUOJBVQGWJX-PBXDPIQXSA-N 0 1 500.985 4.050 50 10 KICAMN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000001610492 551685870 /nfs/dbraw/zinc/68/58/70/551685870.db2.gz NBEVCZCMLOZMFY-UHFFFAOYSA-N 0 1 528.633 4.121 50 10 KICAMN O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000001610492 551685868 /nfs/dbraw/zinc/68/58/68/551685868.db2.gz NBEVCZCMLOZMFY-UHFFFAOYSA-N 0 1 528.633 4.121 50 10 KICAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000001835474 551712333 /nfs/dbraw/zinc/71/23/33/551712333.db2.gz IMDCCYCMKMXIMB-HYARGMPZSA-N 0 1 511.559 4.471 50 10 KICAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C(=O)NC2=S)c1 ZINC000002174776 551783088 /nfs/dbraw/zinc/78/30/88/551783088.db2.gz AXOCZHSFXYHHPJ-BUVRLJJBSA-N 0 1 514.651 4.348 50 10 KICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000002210634 552081282 /nfs/dbraw/zinc/08/12/82/552081282.db2.gz KBALPLIRWLOKDC-MOSHPQCFSA-N 0 1 510.930 4.370 50 10 KICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000002211720 551794228 /nfs/dbraw/zinc/79/42/28/551794228.db2.gz DIXXQXURYHRFFL-STZFKDTASA-N 0 1 510.930 4.452 50 10 KICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000002221110 551795987 /nfs/dbraw/zinc/79/59/87/551795987.db2.gz NGBPLXIEXQEMGU-HAHDFKILSA-N 0 1 504.539 4.415 50 10 KICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cc(C)ccc1C ZINC000002240245 551799027 /nfs/dbraw/zinc/79/90/27/551799027.db2.gz JYSYKFDTEKMOCX-JCMHNJIXSA-N 0 1 504.539 4.415 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000002246675 551800058 /nfs/dbraw/zinc/80/00/58/551800058.db2.gz GZBVZNPBRVBKJR-BUVRLJJBSA-N 0 1 539.613 4.446 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000002277173 551805600 /nfs/dbraw/zinc/80/56/00/551805600.db2.gz VEWDSCCFHHFZMY-UCQKPKSFSA-N 0 1 519.554 4.203 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000002277329 551805583 /nfs/dbraw/zinc/80/55/83/551805583.db2.gz KDKDSNJGRPWSPB-QRVIBDJDSA-N 0 1 519.554 4.203 50 10 KICAMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1 ZINC000002286286 552087554 /nfs/dbraw/zinc/08/75/54/552087554.db2.gz SCHXYAFIRWDUPT-PCLIKHOPSA-N 0 1 545.617 4.463 50 10 KICAMN COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)NC2=S)cc1 ZINC000002286615 552087582 /nfs/dbraw/zinc/08/75/82/552087582.db2.gz INTKOVBIRKRGRJ-HYARGMPZSA-N 0 1 527.558 4.172 50 10 KICAMN O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000002298117 552089806 /nfs/dbraw/zinc/08/98/06/552089806.db2.gz UKGDDVQIKJTJKF-MOSHPQCFSA-N 0 1 516.529 4.390 50 10 KICAMN CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000002298189 552089844 /nfs/dbraw/zinc/08/98/44/552089844.db2.gz OHNYAZPKPWWAJZ-GDNBJRDFSA-N 0 1 502.379 4.343 50 10 KICAMN COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(C)cc4)c3)CC2)cc1 ZINC000002885062 552209383 /nfs/dbraw/zinc/20/93/83/552209383.db2.gz UQSMERQWAIRGSI-UHFFFAOYSA-N 0 1 500.020 4.420 50 10 KICAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 ZINC000002916456 552217463 /nfs/dbraw/zinc/21/74/63/552217463.db2.gz OIVPQGGFIRBYKY-XCVCLJGOSA-N 0 1 500.157 4.316 50 10 KICAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000002935681 552227196 /nfs/dbraw/zinc/22/71/96/552227196.db2.gz HVVBVUJITAXNHW-GZTJUZNOSA-N 0 1 528.340 4.457 50 10 KICAMN O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000003104252 552288518 /nfs/dbraw/zinc/28/85/18/552288518.db2.gz NIGCRHPEGDVKPT-UKTHLTGXSA-N 0 1 521.805 4.259 50 10 KICAMN Cc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003219961 552309566 /nfs/dbraw/zinc/30/95/66/552309566.db2.gz QQSUZQCVCKQSON-QHCPKHFHSA-N 0 1 509.536 4.396 50 10 KICAMN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C(C)C)cc1 ZINC000003620751 552393483 /nfs/dbraw/zinc/39/34/83/552393483.db2.gz JKVUJRHLRUBNKF-UHFFFAOYSA-N 0 1 505.614 4.475 50 10 KICAMN O=C([O-])CNc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000003742062 552413498 /nfs/dbraw/zinc/41/34/98/552413498.db2.gz HXZNHJQLLNGDEP-UHFFFAOYSA-N 0 1 532.984 4.390 50 10 KICAMN CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O ZINC000004046436 552431148 /nfs/dbraw/zinc/43/11/48/552431148.db2.gz BALHLOQIHDBXSR-XSFVSMFZSA-N 0 1 519.383 4.388 50 10 KICAMN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2c1 ZINC000006181015 552561315 /nfs/dbraw/zinc/56/13/15/552561315.db2.gz QVCCLUZYSAEFMW-UHFFFAOYSA-N 0 1 560.676 4.023 50 10 KICAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000006456855 552590081 /nfs/dbraw/zinc/59/00/81/552590081.db2.gz RNAYAIWOKPHXQW-VCHYOVAHSA-N 0 1 525.340 4.376 50 10 KICAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000006456856 552590052 /nfs/dbraw/zinc/59/00/52/552590052.db2.gz RNAYAIWOKPHXQW-ZDLGFXPLSA-N 0 1 525.340 4.376 50 10 KICAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000006456960 552590006 /nfs/dbraw/zinc/59/00/06/552590006.db2.gz ALGMYQCLSIXBDQ-WOJGMQOQSA-N 0 1 525.340 4.376 50 10 KICAMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)cc1 ZINC000006645257 552972425 /nfs/dbraw/zinc/97/24/25/552972425.db2.gz OFHWVZMLWAPKIE-BOPFTXTBSA-N 0 1 528.340 4.457 50 10 KICAMN COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000008432921 553027501 /nfs/dbraw/zinc/02/75/01/553027501.db2.gz ZRJWORMANTYFRR-JCMHNJIXSA-N 0 1 583.717 4.133 50 10 KICAMN Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)NCc4cccs4)c4ccccc34)C(=O)NC2=S)cc1C ZINC000008450544 553058511 /nfs/dbraw/zinc/05/85/11/553058511.db2.gz ZPAVGHWBDVQFDE-QRVIBDJDSA-N 0 1 528.659 4.467 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)c3c(C)nn(-c4ccc(F)cc4)c3-n3cccc3)CC2)cc1 ZINC000008591846 553082847 /nfs/dbraw/zinc/08/28/47/553082847.db2.gz SFOIDBHQMPQMGP-UHFFFAOYSA-N 0 1 516.621 4.061 50 10 KICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1 ZINC000008739058 553130966 /nfs/dbraw/zinc/13/09/66/553130966.db2.gz RVIHCYPBBOOAFP-XSFVSMFZSA-N 0 1 509.356 4.377 50 10 KICAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 ZINC000008817094 553152373 /nfs/dbraw/zinc/15/23/73/553152373.db2.gz LRIIOQAVIXFRHU-WDUNQMNWSA-N 0 1 519.696 4.107 50 10 KICAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 ZINC000008817095 553152282 /nfs/dbraw/zinc/15/22/82/553152282.db2.gz LRIIOQAVIXFRHU-YQPBSLOJSA-N 0 1 519.696 4.107 50 10 KICAMN CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 ZINC000008827501 553156742 /nfs/dbraw/zinc/15/67/42/553156742.db2.gz JFXLXGFAHSWJGR-ODENVGOISA-N 0 1 519.696 4.107 50 10 KICAMN CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 ZINC000008827502 553156719 /nfs/dbraw/zinc/15/67/19/553156719.db2.gz JFXLXGFAHSWJGR-OSEFQUDUSA-N 0 1 519.696 4.107 50 10 KICAMN CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000008843087 553165226 /nfs/dbraw/zinc/16/52/26/553165226.db2.gz OIYQRLDPAOQGGV-CQSZACIVSA-N 0 1 517.376 4.178 50 10 KICAMN CC[C@H](C)c1ccc(OCCOc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000008843088 553165260 /nfs/dbraw/zinc/16/52/60/553165260.db2.gz OIYQRLDPAOQGGV-AWEZNQCLSA-N 0 1 517.376 4.178 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(c4nc5c(cc(C)cc5C)s4)C3)CC2)cc1 ZINC000008911730 553184218 /nfs/dbraw/zinc/18/42/18/553184218.db2.gz UQZZKELEOWXXKO-QHCPKHFHSA-N 0 1 521.731 4.467 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(c4nc5c(cc(C)cc5C)s4)C3)CC2)cc1 ZINC000008911731 553184204 /nfs/dbraw/zinc/18/42/04/553184204.db2.gz UQZZKELEOWXXKO-HSZRJFAPSA-N 0 1 521.731 4.467 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)cc1 ZINC000008912717 553185348 /nfs/dbraw/zinc/18/53/48/553185348.db2.gz OJEUCIWWTORFPJ-UHFFFAOYSA-N 0 1 507.704 4.483 50 10 KICAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000008983971 553196275 /nfs/dbraw/zinc/19/62/75/553196275.db2.gz YLRRVVSBQNDHIZ-UHFFFAOYSA-N 0 1 500.132 4.093 50 10 KICAMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000009009273 553199198 /nfs/dbraw/zinc/19/91/98/553199198.db2.gz LJXNRCKOTYLNFS-GFQWBHFJSA-N 0 1 509.518 4.166 50 10 KICAMN COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1OC ZINC000009011911 553199758 /nfs/dbraw/zinc/19/97/58/553199758.db2.gz MSZFFQVOACJUPL-XIEYBQDHSA-N 0 1 525.605 4.361 50 10 KICAMN COc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2OC)cc1 ZINC000009065621 553206155 /nfs/dbraw/zinc/20/61/55/553206155.db2.gz WMBGVIMUXMXWLC-PXLXIMEGSA-N 0 1 506.511 4.011 50 10 KICAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000009065675 553206106 /nfs/dbraw/zinc/20/61/06/553206106.db2.gz JOLNVMLRWCYAJQ-BWAHOGKJSA-N 0 1 502.567 4.248 50 10 KICAMN CCOc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000009076202 553207654 /nfs/dbraw/zinc/20/76/54/553207654.db2.gz UZQMSHMOSJECOK-HAHDFKILSA-N 0 1 504.539 4.415 50 10 KICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000009301572 553236168 /nfs/dbraw/zinc/23/61/68/553236168.db2.gz SRDQKCMGYWECHK-NCELDCMTSA-N 0 1 502.567 4.330 50 10 KICAMN COc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009311803 553239662 /nfs/dbraw/zinc/23/96/62/553239662.db2.gz YSUUSYIAJLUMCN-HAHDFKILSA-N 0 1 510.575 4.120 50 10 KICAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009543177 553277890 /nfs/dbraw/zinc/27/78/90/553277890.db2.gz JSPSXTPXCLYQBP-FYJGNVAPSA-N 0 1 519.583 4.326 50 10 KICAMN COc1ccc(N2CCN(CCCNc3nc4ccc(C(=O)c5ccccc5)cc4n4cnnc34)CC2)cc1 ZINC000009561213 553281029 /nfs/dbraw/zinc/28/10/29/553281029.db2.gz MYMPPAUURHXKCE-UHFFFAOYSA-N 0 1 521.625 4.141 50 10 KICAMN COc1ccc(-c2nc(CN3CCC[C@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)c(C)o2)cc1 ZINC000009693919 553299300 /nfs/dbraw/zinc/29/93/00/553299300.db2.gz YXEZPIMWONAILL-QHCPKHFHSA-N 0 1 504.631 4.228 50 10 KICAMN COc1ccc(-c2nc(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)c(C)o2)cc1 ZINC000009693920 553299264 /nfs/dbraw/zinc/29/92/64/553299264.db2.gz YXEZPIMWONAILL-HSZRJFAPSA-N 0 1 504.631 4.228 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CC2)cc1 ZINC000009971972 553322884 /nfs/dbraw/zinc/32/28/84/553322884.db2.gz ZFEDKRXVIPXVAC-UHFFFAOYSA-N 0 1 502.640 4.354 50 10 KICAMN O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000012017070 553349937 /nfs/dbraw/zinc/34/99/37/553349937.db2.gz PFMPHFOYPHRGKW-CXUHLZMHSA-N 0 1 508.375 4.293 50 10 KICAMN COc1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000012541359 553389476 /nfs/dbraw/zinc/38/94/76/553389476.db2.gz ASOZJJKLLMLHRH-UHFFFAOYSA-N 0 1 501.590 4.335 50 10 KICAMN Cc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012571929 553398334 /nfs/dbraw/zinc/39/83/34/553398334.db2.gz QQSUZQCVCKQSON-HSZRJFAPSA-N 0 1 509.536 4.396 50 10 KICAMN Cc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000012578068 553398855 /nfs/dbraw/zinc/39/88/55/553398855.db2.gz WLYLHUMHAGMKDB-RUZDIDTESA-N 0 1 517.659 4.023 50 10 KICAMN Cc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000012578074 553398916 /nfs/dbraw/zinc/39/89/16/553398916.db2.gz WLYLHUMHAGMKDB-VWLOTQADSA-N 0 1 517.659 4.023 50 10 KICAMN CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000012868277 553423865 /nfs/dbraw/zinc/42/38/65/553423865.db2.gz WFMZYPVYKOFOAX-BVTUPMQUSA-N 0 1 526.371 4.272 50 10 KICAMN CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000012868286 553423803 /nfs/dbraw/zinc/42/38/03/553423803.db2.gz WFMZYPVYKOFOAX-RKPNYOAGSA-N 0 1 526.371 4.272 50 10 KICAMN O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000012957896 553430157 /nfs/dbraw/zinc/43/01/57/553430157.db2.gz SLHKAFZWIBULNL-UKTHLTGXSA-N 0 1 537.804 4.139 50 10 KICAMN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 ZINC000013112966 553448426 /nfs/dbraw/zinc/44/84/26/553448426.db2.gz PYGRLARFBNKXTA-QNGOZBTKSA-N 0 1 509.613 4.430 50 10 KICAMN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nc(-c4cccs4)n[nH]3)c2C)c1 ZINC000013133976 553451874 /nfs/dbraw/zinc/45/18/74/553451874.db2.gz NQPDDLVBACIQAF-UHFFFAOYSA-N 0 1 510.597 4.489 50 10 KICAMN O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000013550181 553470093 /nfs/dbraw/zinc/47/00/93/553470093.db2.gz UKGDDVQIKJTJKF-DEDYPNTBSA-N 0 1 516.529 4.390 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013617411 553478148 /nfs/dbraw/zinc/47/81/48/553478148.db2.gz IGVZVZVEXURQJH-HAHDFKILSA-N 0 1 501.564 4.064 50 10 KICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)cc1C ZINC000013687291 553485468 /nfs/dbraw/zinc/48/54/68/553485468.db2.gz YSZVLKAUCLIOKY-JCMHNJIXSA-N 0 1 504.539 4.415 50 10 KICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccccc1Cl ZINC000013689528 553485722 /nfs/dbraw/zinc/48/57/22/553485722.db2.gz NPSHRZSLZGVCTJ-RGEXLXHISA-N 0 1 510.930 4.452 50 10 KICAMN COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000013773699 553489592 /nfs/dbraw/zinc/48/95/92/553489592.db2.gz ZUKJHVSEVLNOGG-AUWJEWJLSA-N 0 1 512.129 4.226 50 10 KICAMN COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013773778 553489563 /nfs/dbraw/zinc/48/95/63/553489563.db2.gz GOQYSVQBOVBHAS-OYKKKHCWSA-N 0 1 517.513 4.034 50 10 KICAMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000013774526 553489556 /nfs/dbraw/zinc/48/95/56/553489556.db2.gz PBTQZYIBKYEEDE-XKZIYDEJSA-N 0 1 513.481 4.133 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013774927 553489780 /nfs/dbraw/zinc/48/97/80/553489780.db2.gz ANEDEYRFKWSMFE-IWIPYMOSSA-N 0 1 515.591 4.372 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013775400 553489795 /nfs/dbraw/zinc/48/97/95/553489795.db2.gz PYLCZIIHPZAMJT-IWIPYMOSSA-N 0 1 515.591 4.372 50 10 KICAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1 ZINC000013809921 553492100 /nfs/dbraw/zinc/49/21/00/553492100.db2.gz RVIHCYPBBOOAFP-ZHZULCJRSA-N 0 1 509.356 4.377 50 10 KICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000013941864 553496656 /nfs/dbraw/zinc/49/66/56/553496656.db2.gz JOLNVMLRWCYAJQ-XIEYBQDHSA-N 0 1 502.567 4.248 50 10 KICAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015219888 553528889 /nfs/dbraw/zinc/52/88/89/553528889.db2.gz ZOSZYAQXZWMUNP-STZFKDTASA-N 0 1 503.536 4.404 50 10 KICAMN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c1C)CCCC2 ZINC000016994906 553586148 /nfs/dbraw/zinc/58/61/48/553586148.db2.gz AZSJQQJUVVTXOW-XDHOZWIPSA-N 0 1 507.568 4.280 50 10 KICAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000017028210 553586811 /nfs/dbraw/zinc/58/68/11/553586811.db2.gz MVYNCGYIGQPFFL-CPNJWEJPSA-N 0 1 515.522 4.302 50 10 KICAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000017028563 553586839 /nfs/dbraw/zinc/58/68/39/553586839.db2.gz ISDXCABXGYHZSL-CIAFOILYSA-N 0 1 515.522 4.302 50 10 KICAMN COc1ccc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000017042955 553587155 /nfs/dbraw/zinc/58/71/55/553587155.db2.gz VOHWKGJOVFVRRK-KQWNVCNZSA-N 0 1 509.518 4.036 50 10 KICAMN CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000020083324 553683968 /nfs/dbraw/zinc/68/39/68/553683968.db2.gz PNIMWKQAUDHYEW-YQPBSLOJSA-N 0 1 519.696 4.016 50 10 KICAMN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000020083328 553683940 /nfs/dbraw/zinc/68/39/40/553683940.db2.gz PNIMWKQAUDHYEW-WDUNQMNWSA-N 0 1 519.696 4.016 50 10 KICAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5ccc(OC)cc5)CC4)ccc3n2)CC1 ZINC000020153579 553598257 /nfs/dbraw/zinc/59/82/57/553598257.db2.gz WXSQMVFUBACQNU-UHFFFAOYSA-N 0 1 504.704 4.213 50 10 KICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc32)CC1 ZINC000020611599 553679467 /nfs/dbraw/zinc/67/94/67/553679467.db2.gz RCAZFRAZCTXMQB-UHFFFAOYSA-N 0 1 511.372 4.172 50 10 biogenic KICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c5nc6ccccc6n5c(=S)[nH]c4c3)CC2)cc1 ZINC000020618197 553681115 /nfs/dbraw/zinc/68/11/15/553681115.db2.gz VLSJBUJHPHZRAW-UHFFFAOYSA-N 0 1 526.666 4.275 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4\Oc5ccccc5NC4=O)cc3)CC2)cc1 ZINC000020730411 553691556 /nfs/dbraw/zinc/69/15/56/553691556.db2.gz ALDVTNDKBFXSKD-HFTWOUSFSA-N 0 1 512.610 4.009 50 10 KICAMN CCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000020842014 553699099 /nfs/dbraw/zinc/69/90/99/553699099.db2.gz CIZLRXZDWUCSOD-PYCFMQQDSA-N 0 1 519.696 4.018 50 10 KICAMN CCN(CC)c1ccc(CN2C[C@@H](NCc3c(F)cccc3F)C[C@H]2C(=O)NCc2cccnc2)cc1 ZINC000023361620 553774831 /nfs/dbraw/zinc/77/48/31/553774831.db2.gz KJTCEHIDWFSEQX-FIPFOOKPSA-N 0 1 507.629 4.255 50 10 KICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1cccc(C)c1 ZINC000027531840 553832033 /nfs/dbraw/zinc/83/20/33/553832033.db2.gz ZXJLIXBZIIZRLN-NCELDCMTSA-N 0 1 502.567 4.330 50 10 KICAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000027532435 553831995 /nfs/dbraw/zinc/83/19/95/553831995.db2.gz UDRVJUBGXCLCTJ-UHFFFAOYSA-N 0 1 512.687 4.122 50 10 KICAMN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000029747552 553848265 /nfs/dbraw/zinc/84/82/65/553848265.db2.gz GEOKHSCHUUMNRL-ONUIUJJFSA-N 0 1 597.722 4.147 50 10 KICAMN CCCCCCn1c(=O)[nH]c2nc3cc(NC=C4C(=O)NC(=O)N(Cc5ccccc5)C4=O)ccc3nc2c1=O ZINC000029749800 553852890 /nfs/dbraw/zinc/85/28/90/553852890.db2.gz VHIHCDFLPOGUID-CYVLTUHYSA-N 0 1 541.568 4.040 50 10 KICAMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)C(=C(O)c2cc(OC)ccc2OC)[C@]12C(=O)Nc1ccccc12 ZINC000034262427 553981246 /nfs/dbraw/zinc/98/12/46/553981246.db2.gz PCBLPBFRJXVKJK-KWYVSSJISA-N 0 1 524.573 4.275 50 10 biogenic KICAMN Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH+](Cc4ccc(N(C)C)cc4)CC3)nc2)cc1Cl ZINC000034682164 553985633 /nfs/dbraw/zinc/98/56/33/553985633.db2.gz YKZSTNHJILXCNF-UHFFFAOYSA-N 0 1 500.068 4.232 50 10 KICAMN CN(C)c1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000034683845 553986294 /nfs/dbraw/zinc/98/62/94/553986294.db2.gz JYLXDSKNMUBMJO-UHFFFAOYSA-N 0 1 511.619 4.480 50 10 KICAMN COc1cccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C)c3)CC2)c1O ZINC000034683994 553986766 /nfs/dbraw/zinc/98/67/66/553986766.db2.gz LSBGORJRIPCIMM-UHFFFAOYSA-N 0 1 510.612 4.298 50 10 KICAMN CC[C@@H](C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000034780399 554003759 /nfs/dbraw/zinc/00/37/59/554003759.db2.gz PNIMWKQAUDHYEW-ACXJOVJBSA-N 0 1 519.696 4.016 50 10 KICAMN CC[C@H](C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000034780400 554003719 /nfs/dbraw/zinc/00/37/19/554003719.db2.gz PNIMWKQAUDHYEW-WXNAFCGMSA-N 0 1 519.696 4.016 50 10 KICAMN COCC[NH+](CCOC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc21 ZINC000054201926 554349127 /nfs/dbraw/zinc/34/91/27/554349127.db2.gz VVOZKHBMHARLFO-UHFFFAOYSA-N 0 1 511.493 4.296 50 10 biogenic KICAMN COc1cc([N+](=O)[O-])cc([C@@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1O ZINC000064819834 554517707 /nfs/dbraw/zinc/51/77/07/554517707.db2.gz VCRBJJOFEZKHNY-DEOSSOPVSA-N 0 1 510.890 4.454 50 10 KICAMN COc1cc([N+](=O)[O-])cc([C@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1O ZINC000064819835 554517723 /nfs/dbraw/zinc/51/77/23/554517723.db2.gz VCRBJJOFEZKHNY-XMMPIXPASA-N 0 1 510.890 4.454 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12 ZINC000070672389 553602132 /nfs/dbraw/zinc/60/21/32/553602132.db2.gz MHZHCDFGVJPVLG-XVUPITKPSA-N 0 1 554.599 4.283 50 10 biogenic KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2ccc(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12 ZINC000070672417 553602022 /nfs/dbraw/zinc/60/20/22/553602022.db2.gz ZOBFHNYEIRCFPU-NLOYNPKYSA-N 0 1 524.573 4.275 50 10 biogenic KICAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000083330033 553676944 /nfs/dbraw/zinc/67/69/44/553676944.db2.gz PBGYHHIKHIRCDP-WOJGMQOQSA-N 0 1 502.287 4.436 50 10 KICAMN COc1ccc2cc([C@@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)n(C)c2c1 ZINC000096114027 553724742 /nfs/dbraw/zinc/72/47/42/553724742.db2.gz SXEXCPUTCYLNKF-KRWDZBQOSA-N 0 1 511.486 4.173 50 10 biogenic KICAMN COc1ccc2cc([C@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)n(C)c2c1 ZINC000096114028 553724684 /nfs/dbraw/zinc/72/46/84/553724684.db2.gz SXEXCPUTCYLNKF-QGZVFWFLSA-N 0 1 511.486 4.173 50 10 biogenic KICAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1OC ZINC000096114399 553725013 /nfs/dbraw/zinc/72/50/13/553725013.db2.gz WDQVONXNYRWPGM-AWEZNQCLSA-N 0 1 506.463 4.044 50 10 biogenic KICAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1OC ZINC000096114400 553724996 /nfs/dbraw/zinc/72/49/96/553724996.db2.gz WDQVONXNYRWPGM-CQSZACIVSA-N 0 1 506.463 4.044 50 10 biogenic KICAMN COc1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC(C)=O ZINC000096114652 553725310 /nfs/dbraw/zinc/72/53/10/553725310.db2.gz JGMRDGJDRDLWCL-INIZCTEOSA-N 0 1 518.474 4.255 50 10 biogenic KICAMN COc1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC(C)=O ZINC000096114653 553725402 /nfs/dbraw/zinc/72/54/02/553725402.db2.gz JGMRDGJDRDLWCL-MRXNPFEDSA-N 0 1 518.474 4.255 50 10 biogenic KICAMN COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000096115098 553725699 /nfs/dbraw/zinc/72/56/99/553725699.db2.gz FHDNUTSUWGSOGF-AWEZNQCLSA-N 0 1 506.463 4.044 50 10 biogenic KICAMN COc1cc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000096115099 553725783 /nfs/dbraw/zinc/72/57/83/553725783.db2.gz FHDNUTSUWGSOGF-CQSZACIVSA-N 0 1 506.463 4.044 50 10 biogenic KICAMN COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccc(O)c(O)c6)oc-5c43)c(=O)c2c1 ZINC000096116053 553726607 /nfs/dbraw/zinc/72/66/07/553726607.db2.gz YPRRJTZRQUHFRY-AWEZNQCLSA-N 0 1 514.442 4.133 50 10 biogenic KICAMN COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccc(O)c(O)c6)oc-5c43)c(=O)c2c1 ZINC000096116054 553726565 /nfs/dbraw/zinc/72/65/65/553726565.db2.gz YPRRJTZRQUHFRY-CQSZACIVSA-N 0 1 514.442 4.133 50 10 biogenic KICAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCCC4)c4ccccc34)C(=O)NC2=S)c1 ZINC000096234391 553731548 /nfs/dbraw/zinc/73/15/48/553731548.db2.gz MDTMZJHAXVNWQL-HZHRSRAPSA-N 0 1 500.624 4.102 50 10 KICAMN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000097946179 553777117 /nfs/dbraw/zinc/77/71/17/553777117.db2.gz CUMFLWDMJVEMMC-PKAZHMFMSA-N 0 1 611.749 4.455 50 10 KICAMN COc1ccc(CN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 ZINC000097946306 553778175 /nfs/dbraw/zinc/77/81/75/553778175.db2.gz WYNXWYMNMRAXLU-XHPQRKPJSA-N 0 1 583.739 4.427 50 10 KICAMN O=C1/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC(=S)N1CCc1ccccc1 ZINC000097947079 553783278 /nfs/dbraw/zinc/78/32/78/553783278.db2.gz NGVUCESTWAJUNX-YYADALCUSA-N 0 1 567.740 4.461 50 10 KICAMN CCCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000097947080 553783367 /nfs/dbraw/zinc/78/33/67/553783367.db2.gz DSHSEFQBAQWDGO-PTGBLXJZSA-N 0 1 533.723 4.326 50 10 KICAMN COc1cccc(OCCOc2c(Br)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 ZINC000097958638 553856515 /nfs/dbraw/zinc/85/65/15/553856515.db2.gz UUZPHSARPARIPT-FYJGNVAPSA-N 0 1 539.382 4.386 50 10 KICAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1O ZINC000097960883 553874115 /nfs/dbraw/zinc/87/41/15/553874115.db2.gz VLVWPHRILRJZTF-ZSOIEALJSA-N 0 1 524.336 4.076 50 10 KICAMN CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000097960897 553874008 /nfs/dbraw/zinc/87/40/08/553874008.db2.gz FHSRYIKKRJDMNL-YBEGLDIGSA-N 0 1 519.373 4.071 50 10 KICAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000097960905 553874050 /nfs/dbraw/zinc/87/40/50/553874050.db2.gz XIEWIAHDQUIKGM-JAIQZWGSSA-N 0 1 559.467 4.176 50 10 KICAMN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000097961974 553881873 /nfs/dbraw/zinc/88/18/73/553881873.db2.gz XRZSGDCQUUWYJH-DEDYPNTBSA-N 0 1 525.633 4.320 50 10 KICAMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000097961977 553881979 /nfs/dbraw/zinc/88/19/79/553881979.db2.gz OTVHWNSCSGQYHV-DEDYPNTBSA-N 0 1 525.633 4.320 50 10 KICAMN COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)NC2=S)c1 ZINC000097966953 553912260 /nfs/dbraw/zinc/91/22/60/553912260.db2.gz HICQWKKACYAACV-BKUYFWCQSA-N 0 1 557.584 4.180 50 10 KICAMN COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000097966968 553912344 /nfs/dbraw/zinc/91/23/44/553912344.db2.gz NSUPYGWEVUTKAS-OQLLNIDSSA-N 0 1 526.156 4.064 50 10 KICAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 ZINC000097968444 553932481 /nfs/dbraw/zinc/93/24/81/553932481.db2.gz FMWVABSHXWRTLS-ZROIWOOFSA-N 0 1 541.221 4.313 50 10 KICAMN COc1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000097968473 553932793 /nfs/dbraw/zinc/93/27/93/553932793.db2.gz QIXRLGZQLKNCBA-PCLIKHOPSA-N 0 1 531.540 4.076 50 10 KICAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O ZINC000097968489 553932890 /nfs/dbraw/zinc/93/28/90/553932890.db2.gz RMEGPUVYXQNHTJ-SDQBBNPISA-N 0 1 514.728 4.330 50 10 KICAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000097968490 553932904 /nfs/dbraw/zinc/93/29/04/553932904.db2.gz VDEPCABGRNCBRM-ZHZULCJRSA-N 0 1 527.558 4.172 50 10 KICAMN CCCCCCN1C(=O)NC(=O)/C(=C\c2c(CCN(C)C(=S)NCc3ccccc3)cc3c(c2OC)OCO3)C1=O ZINC000097968984 553935599 /nfs/dbraw/zinc/93/55/99/553935599.db2.gz GYJDDDZDXRZZHL-HAVVHWLPSA-N 0 1 580.707 4.015 50 10 KICAMN COc1cccc(N2C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)NC2=S)c1 ZINC000097969063 553936210 /nfs/dbraw/zinc/93/62/10/553936210.db2.gz WWAANGUGVIEBFY-XKZIYDEJSA-N 0 1 527.558 4.172 50 10 KICAMN COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000097970335 553952982 /nfs/dbraw/zinc/95/29/82/553952982.db2.gz LOWSZAIXAIXHHN-CIAFOILYSA-N 0 1 545.548 4.311 50 10 KICAMN COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000097970710 553957778 /nfs/dbraw/zinc/95/77/78/553957778.db2.gz JSTDLNUYRZIXAW-FYJGNVAPSA-N 0 1 527.558 4.172 50 10 KICAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCOCCOc1ccccc1 ZINC000100054517 554195605 /nfs/dbraw/zinc/19/56/05/554195605.db2.gz FVONUUUPEAIIHA-PTGBLXJZSA-N 0 1 523.383 4.385 50 10 KICAMN CCOC(=O)c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 ZINC000100143767 554229722 /nfs/dbraw/zinc/22/97/22/554229722.db2.gz FUHIUOJBVQGWJX-LVSMMTLPSA-N 0 1 500.985 4.050 50 10 KICAMN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 ZINC000100143767 554229721 /nfs/dbraw/zinc/22/97/21/554229721.db2.gz FUHIUOJBVQGWJX-LVSMMTLPSA-N 0 1 500.985 4.050 50 10 KICAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000100194517 554245781 /nfs/dbraw/zinc/24/57/81/554245781.db2.gz VZVKQWQZOSPMTO-BOPFTXTBSA-N 0 1 528.340 4.457 50 10 KICAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000100195236 554245728 /nfs/dbraw/zinc/24/57/28/554245728.db2.gz HVVBVUJITAXNHW-BOPFTXTBSA-N 0 1 528.340 4.457 50 10 KICAMN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000100223439 554252436 /nfs/dbraw/zinc/25/24/36/554252436.db2.gz UNSXDZWMXKRNDZ-GXDHUFHOSA-N 0 1 523.394 4.165 50 10 KICAMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1 ZINC000100241475 554260524 /nfs/dbraw/zinc/26/05/24/554260524.db2.gz SCHXYAFIRWDUPT-XYGWBWBKSA-N 0 1 545.617 4.463 50 10 KICAMN COc1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000100292582 554284499 /nfs/dbraw/zinc/28/44/99/554284499.db2.gz QIXRLGZQLKNCBA-XYGWBWBKSA-N 0 1 531.540 4.076 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000100292597 554284611 /nfs/dbraw/zinc/28/46/11/554284611.db2.gz HUWAKLCVVJXFOM-JCMHNJIXSA-N 0 1 531.590 4.073 50 10 KICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000100292598 554284600 /nfs/dbraw/zinc/28/46/00/554284600.db2.gz HUWAKLCVVJXFOM-PXLXIMEGSA-N 0 1 531.590 4.073 50 10 KICAMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000100340107 554324571 /nfs/dbraw/zinc/32/45/71/554324571.db2.gz IHQWHWLHRJJLFR-LICLKQGHSA-N 0 1 514.566 4.398 50 10 KICAMN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1 ZINC000100345573 554329843 /nfs/dbraw/zinc/32/98/43/554329843.db2.gz JOLLOCWCPNXPBZ-BUVRLJJBSA-N 0 1 531.590 4.073 50 10 KICAMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1 ZINC000100345577 554329867 /nfs/dbraw/zinc/32/98/67/554329867.db2.gz JOLLOCWCPNXPBZ-IWIPYMOSSA-N 0 1 531.590 4.073 50 10 KICAMN COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)c1 ZINC000100369223 554355106 /nfs/dbraw/zinc/35/51/06/554355106.db2.gz VFPYPEPMGMLHQG-ZVHZXABRSA-N 0 1 531.590 4.073 50 10 KICAMN COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)c1 ZINC000100369226 554355205 /nfs/dbraw/zinc/35/52/05/554355205.db2.gz VFPYPEPMGMLHQG-OYKKKHCWSA-N 0 1 531.590 4.073 50 10 KICAMN Oc1c(I)cc(I)cc1CN1CCN(c2ccccc2F)CC1 ZINC000100417890 554385130 /nfs/dbraw/zinc/38/51/30/554385130.db2.gz UATFDGMZJNXMEF-UHFFFAOYSA-N 0 1 538.142 4.063 50 10 KICAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)n1 ZINC000100504389 554407338 /nfs/dbraw/zinc/40/73/38/554407338.db2.gz IXTMVKZKJWMMSC-QNGOZBTKSA-N 0 1 553.691 4.124 50 10 KICAMN CCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100642350 554436508 /nfs/dbraw/zinc/43/65/08/554436508.db2.gz DSHSEFQBAQWDGO-NKFKGCMQSA-N 0 1 533.723 4.326 50 10 KICAMN CCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100755928 554467111 /nfs/dbraw/zinc/46/71/11/554467111.db2.gz YTHDUECUZWUAGI-QJOMJCCJSA-N 0 1 533.723 4.326 50 10 KICAMN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC(=S)N1CCc1ccccc1 ZINC000100761585 554467812 /nfs/dbraw/zinc/46/78/12/554467812.db2.gz NGVUCESTWAJUNX-QLYXXIJNSA-N 0 1 567.740 4.461 50 10 KICAMN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC(=S)N1Cc1ccccc1 ZINC000100761590 554467768 /nfs/dbraw/zinc/46/77/68/554467768.db2.gz XHYQFYDCOOZGMJ-PLRJNAJWSA-N 0 1 553.713 4.418 50 10 KICAMN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC(=S)N1Cc1ccco1 ZINC000100761613 554467720 /nfs/dbraw/zinc/46/77/20/554467720.db2.gz GZXWXWWGMQJOSN-QJOMJCCJSA-N 0 1 543.674 4.011 50 10 KICAMN Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 ZINC000100762016 554467667 /nfs/dbraw/zinc/46/76/67/554467667.db2.gz QOYOHTWCNCLZDG-HAHDFKILSA-N 0 1 533.723 4.182 50 10 KICAMN Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000100762058 554467787 /nfs/dbraw/zinc/46/77/87/554467787.db2.gz RHRNUXXSWZTDIA-JLPGSUDCSA-N 0 1 557.701 4.320 50 10 KICAMN CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100763492 554469115 /nfs/dbraw/zinc/46/91/15/554469115.db2.gz MHGNPHYTXKDBQN-AKWGVZKHSA-N 0 1 533.723 4.325 50 10 KICAMN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100763502 554469148 /nfs/dbraw/zinc/46/91/48/554469148.db2.gz MHGNPHYTXKDBQN-MCIDSYJDSA-N 0 1 533.723 4.325 50 10 KICAMN CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100763625 554469087 /nfs/dbraw/zinc/46/90/87/554469087.db2.gz PKINDBXGYDXYSB-AOMYKUFJSA-N 0 1 533.723 4.325 50 10 KICAMN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100763633 554469111 /nfs/dbraw/zinc/46/91/11/554469111.db2.gz PKINDBXGYDXYSB-LORYXUCWSA-N 0 1 533.723 4.325 50 10 KICAMN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100770232 554471064 /nfs/dbraw/zinc/47/10/64/554471064.db2.gz GNVYWFYDTHMUJO-JJIBRWJFSA-N 0 1 557.701 4.320 50 10 KICAMN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC(=S)N1C1CCCC1 ZINC000100830010 554482611 /nfs/dbraw/zinc/48/26/11/554482611.db2.gz SEPBDHIEPNNESO-NKFKGCMQSA-N 0 1 531.707 4.161 50 10 KICAMN CC(C)CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100834567 554483176 /nfs/dbraw/zinc/48/31/76/554483176.db2.gz BSMUGCBQRRZSEN-NKFKGCMQSA-N 0 1 533.723 4.264 50 10 KICAMN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100839346 554487203 /nfs/dbraw/zinc/48/72/03/554487203.db2.gz YVBZPFQCXUDVHQ-KQWNVCNZSA-N 0 1 533.723 4.182 50 10 KICAMN CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100840326 554488508 /nfs/dbraw/zinc/48/85/08/554488508.db2.gz RTVXJXLRIOUELM-NMWGTECJSA-N 0 1 533.723 4.408 50 10 KICAMN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100842342 554489746 /nfs/dbraw/zinc/48/97/46/554489746.db2.gz GNVYWFYDTHMUJO-ULJHMMPZSA-N 0 1 557.701 4.320 50 10 KICAMN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100843107 554490348 /nfs/dbraw/zinc/49/03/48/554490348.db2.gz OSXDOBCZNXAIDE-MOHJPFBDSA-N 0 1 545.734 4.469 50 10 KICAMN CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000100861898 554495811 /nfs/dbraw/zinc/49/58/11/554495811.db2.gz FVVFYCZRUPULAU-STZFKDTASA-N 0 1 540.114 4.200 50 10 KICAMN Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 ZINC000100863369 554496086 /nfs/dbraw/zinc/49/60/86/554496086.db2.gz JAVQTLDPNYGVMZ-ULJHMMPZSA-N 0 1 545.734 4.469 50 10 KICAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000100878802 554505771 /nfs/dbraw/zinc/50/57/71/554505771.db2.gz NWQKBUGNRYMRBA-QNGOZBTKSA-N 0 1 540.114 4.200 50 10 KICAMN CCCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100884253 554508047 /nfs/dbraw/zinc/50/80/47/554508047.db2.gz YTHDUECUZWUAGI-HAVVHWLPSA-N 0 1 533.723 4.326 50 10 KICAMN CCCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100884258 554508173 /nfs/dbraw/zinc/50/81/73/554508173.db2.gz RTVXJXLRIOUELM-FCDQGJHFSA-N 0 1 533.723 4.408 50 10 KICAMN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100884285 554508115 /nfs/dbraw/zinc/50/81/15/554508115.db2.gz YVBZPFQCXUDVHQ-XQNSMLJCSA-N 0 1 533.723 4.182 50 10 KICAMN Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 ZINC000100884287 554508150 /nfs/dbraw/zinc/50/81/50/554508150.db2.gz QOYOHTWCNCLZDG-HZHRSRAPSA-N 0 1 533.723 4.182 50 10 KICAMN Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000100884350 554508111 /nfs/dbraw/zinc/50/81/11/554508111.db2.gz RHRNUXXSWZTDIA-LFVJCYFKSA-N 0 1 557.701 4.320 50 10 KICAMN O=C1/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC(=S)N1C1CCCC1 ZINC000100884367 554508184 /nfs/dbraw/zinc/50/81/84/554508184.db2.gz SEPBDHIEPNNESO-PTGBLXJZSA-N 0 1 531.707 4.161 50 10 KICAMN CC[C@@H](C)N1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100884392 554508126 /nfs/dbraw/zinc/50/81/26/554508126.db2.gz MHGNPHYTXKDBQN-YYTOJMEDSA-N 0 1 533.723 4.325 50 10 KICAMN CC[C@H](C)N1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100884393 554508162 /nfs/dbraw/zinc/50/81/62/554508162.db2.gz MHGNPHYTXKDBQN-UZXYXVAJSA-N 0 1 533.723 4.325 50 10 KICAMN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100884412 554508140 /nfs/dbraw/zinc/50/81/40/554508140.db2.gz CUMFLWDMJVEMMC-WPWMEQJKSA-N 0 1 611.749 4.455 50 10 KICAMN COc1ccc(CN2C(=O)/C(=C\c3c(=O)n4ccccc4nc3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 ZINC000100884419 554508356 /nfs/dbraw/zinc/50/83/56/554508356.db2.gz WYNXWYMNMRAXLU-LGUFXXKBSA-N 0 1 583.739 4.427 50 10 KICAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000100888939 554510326 /nfs/dbraw/zinc/51/03/26/554510326.db2.gz KYCSWEHJSXHRIS-UHFFFAOYSA-N 0 1 569.455 4.221 50 10 KICAMN COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000100999777 554552298 /nfs/dbraw/zinc/55/22/98/554552298.db2.gz ZRJWORMANTYFRR-PXLXIMEGSA-N 0 1 583.717 4.133 50 10 KICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000101000173 554552235 /nfs/dbraw/zinc/55/22/35/554552235.db2.gz GZBVZNPBRVBKJR-IWIPYMOSSA-N 0 1 539.613 4.446 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C\c4cccc(Cl)c4)Oc4ccccc43)CC2)cc1 ZINC000101632443 554811953 /nfs/dbraw/zinc/81/19/53/554811953.db2.gz RIYPMYLLTAIATR-XHLNEMQHSA-N 0 1 561.082 4.444 50 10 KICAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000101737855 554833953 /nfs/dbraw/zinc/83/39/53/554833953.db2.gz VZVKQWQZOSPMTO-GZTJUZNOSA-N 0 1 528.340 4.457 50 10 KICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000102452458 554932936 /nfs/dbraw/zinc/93/29/36/554932936.db2.gz VAEMWYNJPPTXLO-FYJGNVAPSA-N 0 1 576.428 4.085 50 10 KICAMN COc1ccc(N2CCN(CCCNC(=O)Cc3csc(Nc4[nH]c(=S)nc5ccccc54)n3)CC2)cc1 ZINC000102742227 555031064 /nfs/dbraw/zinc/03/10/64/555031064.db2.gz SMYSJVZECKPVFM-UHFFFAOYSA-N 0 1 549.726 4.372 50 10 KICAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000102925329 555149776 /nfs/dbraw/zinc/14/97/76/555149776.db2.gz QPTMTMRZFGMBLV-KRWDZBQOSA-N 0 1 569.595 4.029 50 10 KICAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000102925333 555149738 /nfs/dbraw/zinc/14/97/38/555149738.db2.gz QPTMTMRZFGMBLV-QGZVFWFLSA-N 0 1 569.595 4.029 50 10 KICAMN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000102929474 555155318 /nfs/dbraw/zinc/15/53/18/555155318.db2.gz NZSGZEDSCFJXII-UHFFFAOYSA-N 0 1 524.982 4.248 50 10 KICAMN CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103849767 571364078 /nfs/dbraw/zinc/36/40/78/571364078.db2.gz FDIBJYGNCBKAJR-GFQQVXNGSA-N 0 1 554.381 4.448 50 10 KICAMN CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103849769 571364330 /nfs/dbraw/zinc/36/43/30/571364330.db2.gz FDIBJYGNCBKAJR-RGZVIEDOSA-N 0 1 554.381 4.448 50 10 KICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000104024821 571371343 /nfs/dbraw/zinc/37/13/43/571371343.db2.gz XEXSVARXTKMXII-VGOFMYFVSA-N 0 1 542.782 4.183 50 10 KICAMN CN(CCc1cc2c(cc1C=C1C(=O)NC(=O)N(Cc3ccc(F)cc3)C1=O)OCO2)C(=O)c1ccccc1 ZINC000104170999 571376031 /nfs/dbraw/zinc/37/60/31/571376031.db2.gz NCPHLDURGGOWDM-QRVIBDJDSA-N 0 1 529.524 4.371 50 10 KICAMN CCN(C(=O)CN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21)c1ccccc1 ZINC000105965239 571409624 /nfs/dbraw/zinc/40/96/24/571409624.db2.gz UPBVCSGZMLGYIT-QURGRASLSA-N 0 1 548.671 4.064 50 10 KICAMN COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448187 571424087 /nfs/dbraw/zinc/42/40/87/571424087.db2.gz VCPOBOYQWFUXKM-QGZVFWFLSA-N 0 1 529.501 4.122 50 10 biogenic KICAMN COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448189 571424112 /nfs/dbraw/zinc/42/41/12/571424112.db2.gz VCPOBOYQWFUXKM-KRWDZBQOSA-N 0 1 529.501 4.122 50 10 biogenic KICAMN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCc1ccccc1 ZINC000108448927 571424525 /nfs/dbraw/zinc/42/45/25/571424525.db2.gz SHZQXCLLKGJJEF-DEOSSOPVSA-N 0 1 581.625 4.280 50 10 biogenic KICAMN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCc1ccccc1 ZINC000108448930 571424483 /nfs/dbraw/zinc/42/44/83/571424483.db2.gz SHZQXCLLKGJJEF-XMMPIXPASA-N 0 1 581.625 4.280 50 10 biogenic KICAMN COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450038 571424970 /nfs/dbraw/zinc/42/49/70/571424970.db2.gz DVXMNYBYTPCUMQ-QGZVFWFLSA-N 0 1 529.501 4.122 50 10 biogenic KICAMN COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450040 571424991 /nfs/dbraw/zinc/42/49/91/571424991.db2.gz DVXMNYBYTPCUMQ-KRWDZBQOSA-N 0 1 529.501 4.122 50 10 biogenic KICAMN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCCc1ccccc1 ZINC000108451102 571425437 /nfs/dbraw/zinc/42/54/37/571425437.db2.gz HIANPAZSKGGMNW-VWLOTQADSA-N 0 1 595.652 4.322 50 10 biogenic KICAMN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCCc1ccccc1 ZINC000108451105 571425678 /nfs/dbraw/zinc/42/56/78/571425678.db2.gz HIANPAZSKGGMNW-RUZDIDTESA-N 0 1 595.652 4.322 50 10 biogenic KICAMN O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000137029820 571450054 /nfs/dbraw/zinc/45/00/54/571450054.db2.gz ZPDNSSLPYHVCDH-UYRXBGFRSA-N 0 1 589.518 4.485 50 10 KICAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(c4ccc(OC)cc4)CC3)C2=S)cc1 ZINC000150396265 571476389 /nfs/dbraw/zinc/47/63/89/571476389.db2.gz PUVQHTRFMXCNQQ-HKBQPEDESA-N 0 1 659.809 4.424 50 10 KICAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(c4ccc(OC)cc4)CC3)C2=S)cc1 ZINC000150396268 571476402 /nfs/dbraw/zinc/47/64/02/571476402.db2.gz PUVQHTRFMXCNQQ-WJOKGBTCSA-N 0 1 659.809 4.424 50 10 KICAMN CCOC(=O)C(C(=O)C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000150670302 571528782 /nfs/dbraw/zinc/52/87/82/571528782.db2.gz DKYPNRIAYRRYDA-IBGZPJMESA-N 0 1 624.350 4.006 50 10 KICAMN CCOC(=O)C(C(=O)C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000150670303 571528730 /nfs/dbraw/zinc/52/87/30/571528730.db2.gz DKYPNRIAYRRYDA-LJQANCHMSA-N 0 1 624.350 4.006 50 10 KICAMN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCc1ccccc1 ZINC000206058916 571572407 /nfs/dbraw/zinc/57/24/07/571572407.db2.gz JAMOKZUFMDOPNZ-XMMPIXPASA-N 0 1 581.625 4.280 50 10 KICAMN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCc1ccccc1 ZINC000206058946 571572301 /nfs/dbraw/zinc/57/23/01/571572301.db2.gz JAMOKZUFMDOPNZ-DEOSSOPVSA-N 0 1 581.625 4.280 50 10 KICAMN COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCCc1ccccc1 ZINC000206241228 571572456 /nfs/dbraw/zinc/57/24/56/571572456.db2.gz MQGNBDMLLNAHNU-RUZDIDTESA-N 0 1 595.652 4.322 50 10 KICAMN COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCCc1ccccc1 ZINC000206241259 571572463 /nfs/dbraw/zinc/57/24/63/571572463.db2.gz MQGNBDMLLNAHNU-VWLOTQADSA-N 0 1 595.652 4.322 50 10 KICAMN O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000211027592 571576157 /nfs/dbraw/zinc/57/61/57/571576157.db2.gz ZPDNSSLPYHVCDH-CPNJWEJPSA-N 0 1 589.518 4.485 50 10 KICAMN COc1ccc(CCOc2ccc([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c(O)nc4ccccn4c3=O)cc2)cc1 ZINC000217604252 571601784 /nfs/dbraw/zinc/60/17/84/571601784.db2.gz GYEBNWWGBNXYHW-MHZLTWQESA-N 0 1 595.652 4.322 50 10 KICAMN COc1ccc(CCOc2ccc([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c(O)nc4ccccn4c3=O)cc2)cc1 ZINC000217604325 571601812 /nfs/dbraw/zinc/60/18/12/571601812.db2.gz GYEBNWWGBNXYHW-HHHXNRCGSA-N 0 1 595.652 4.322 50 10 KICAMN CCCC[N-]C(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)NCCCC ZINC000225386429 571755366 /nfs/dbraw/zinc/75/53/66/571755366.db2.gz MYPXJLKENPKSAX-UHFFFAOYSA-O 0 1 577.487 4.196 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12 ZINC000229981657 572176778 /nfs/dbraw/zinc/17/67/78/572176778.db2.gz MHZHCDFGVJPVLG-NAQGONTDSA-N 0 1 554.599 4.283 50 10 KICAMN O=C(C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000230460745 572186475 /nfs/dbraw/zinc/18/64/75/572186475.db2.gz XHBVHUMXIWZXMW-MHZLTWQESA-N 0 1 607.663 4.249 50 10 KICAMN O=C(C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000230460776 572186423 /nfs/dbraw/zinc/18/64/23/572186423.db2.gz XHBVHUMXIWZXMW-HHHXNRCGSA-N 0 1 607.663 4.249 50 10 KICAMN COc1ccc(CCOc2ccc([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c(O)nc4ccccn4c3=O)cc2OC)cc1 ZINC000230473095 572186385 /nfs/dbraw/zinc/18/63/85/572186385.db2.gz UPBVMRBBGCYJHZ-AREMUKBSSA-N 0 1 625.678 4.331 50 10 KICAMN COc1ccc(CCOc2ccc([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c(O)nc4ccccn4c3=O)cc2OC)cc1 ZINC000230473141 572186318 /nfs/dbraw/zinc/18/63/18/572186318.db2.gz UPBVMRBBGCYJHZ-SANMLTNESA-N 0 1 625.678 4.331 50 10 KICAMN CN1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2[O-])[C@H](c2ccccc2)C1 ZINC000252527932 572262454 /nfs/dbraw/zinc/26/24/54/572262454.db2.gz DSWORGPMDDBZOP-FQEVSTJZSA-N 0 1 591.275 4.070 50 10 KICAMN CN1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2[O-])[C@@H](c2ccccc2)C1 ZINC000252527933 572262505 /nfs/dbraw/zinc/26/25/05/572262505.db2.gz DSWORGPMDDBZOP-HXUWFJFHSA-N 0 1 591.275 4.070 50 10 KICAMN CC[NH+](CC)CC1CCN(Cc2cc(I)cc(I)c2[O-])CC1 ZINC000252535648 572262666 /nfs/dbraw/zinc/26/26/66/572262666.db2.gz GNKDFYWNDYKCRA-UHFFFAOYSA-N 0 1 528.216 4.155 50 10 KICAMN CN1CCN(C2(C[NH2+]Cc3cc(I)cc(I)c3[O-])CCCCCC2)CC1 ZINC000252549248 572263183 /nfs/dbraw/zinc/26/31/83/572263183.db2.gz QYVUURDFRLHRNW-UHFFFAOYSA-N 0 1 583.296 4.031 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000253383386 572282425 /nfs/dbraw/zinc/28/24/25/572282425.db2.gz LJXNRCKOTYLNFS-OSSDZZHWSA-N 0 1 509.518 4.166 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000253383387 572282417 /nfs/dbraw/zinc/28/24/17/572282417.db2.gz LJXNRCKOTYLNFS-QNVWVOQGSA-N 0 1 509.518 4.166 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000253383388 572282435 /nfs/dbraw/zinc/28/24/35/572282435.db2.gz LJXNRCKOTYLNFS-YIPGRGJBSA-N 0 1 509.518 4.166 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cc(OC)c(OC)c(OC)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000253383695 572282445 /nfs/dbraw/zinc/28/24/45/572282445.db2.gz MHZHCDFGVJPVLG-PJGOFDOSSA-N 0 1 554.599 4.283 50 10 KICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2cc(OC)c(OC)c(OC)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000253383696 572282466 /nfs/dbraw/zinc/28/24/66/572282466.db2.gz MHZHCDFGVJPVLG-REKFDVGBSA-N 0 1 554.599 4.283 50 10 KICAMN