smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C2=O)cc1 ZINC000107863362 569353083 /nfs/dbraw/zinc/35/30/83/569353083.db2.gz ZLLKGPPHKQKJRC-LICLKQGHSA-N 0 2 418.409 1.802 40 10 HDCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408739926 557805627 /nfs/dbraw/zinc/80/56/27/557805627.db2.gz GSOVXKYUNQVKJJ-NTUHNPAUSA-N 0 2 413.342 1.984 40 10 HDCBLN Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)nc(C)n1 ZINC000018068589 558830348 /nfs/dbraw/zinc/83/03/48/558830348.db2.gz JEUWXUVCLNYZIZ-GHVJWSGMSA-N 0 2 416.423 1.268 40 10 HDCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(N)=O ZINC000408967322 560659334 /nfs/dbraw/zinc/65/93/34/560659334.db2.gz UXMPBMZCEFHTKM-OQLLNIDSSA-N 0 2 409.398 1.534 40 10 HDCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000409226762 560698208 /nfs/dbraw/zinc/69/82/08/560698208.db2.gz WQRVKCVMPTVHOX-NTUHNPAUSA-N 0 2 415.789 1.576 40 10 HDCBLN CCOC(=O)[C@H]1[C@@H](c2cc([N+](=O)[O-])ccc2O)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011859291 560775172 /nfs/dbraw/zinc/77/51/72/560775172.db2.gz HFPVHFKMWIGMJN-BREBYQMCSA-N 0 2 409.342 1.249 40 10 HDCBLN COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108184857 569361228 /nfs/dbraw/zinc/36/12/28/569361228.db2.gz SKUWVEXVAACGRO-IEMQHYRPSA-N 0 2 411.370 1.997 40 10 HDCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CN2CCOCC2)C1=O ZINC000408530950 557299735 /nfs/dbraw/zinc/29/97/35/557299735.db2.gz JWAGKCOUJRYOLS-JLHYYAGUSA-N 0 2 408.252 1.810 40 10 HDCBLN Cn1c(N)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)n(C)c1=O ZINC000104090721 559157965 /nfs/dbraw/zinc/15/79/65/559157965.db2.gz ZGICVIYWKXQXOW-VHEBQXMUSA-N 0 2 421.464 1.339 40 10 HDCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000408531152 557301922 /nfs/dbraw/zinc/30/19/22/557301922.db2.gz NJLYRYONAZDRJB-SDNWHVSQSA-N 0 2 405.414 1.764 40 10 HDCBLN Cn1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2n(C)c1=O ZINC000408953328 560657187 /nfs/dbraw/zinc/65/71/87/560657187.db2.gz PTYKJANAQOJJPV-NTUHNPAUSA-N 0 2 420.381 1.272 40 10 HDCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(N)=O ZINC000409215172 560696820 /nfs/dbraw/zinc/69/68/20/560696820.db2.gz XVCMFSCBDGQBEL-GDNBJRDFSA-N 0 2 409.398 1.616 40 10 HDCBLN NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409223449 560698948 /nfs/dbraw/zinc/69/89/48/560698948.db2.gz HTBWUACMUMRCQP-NTEUORMPSA-N 0 2 410.342 1.125 40 10 HDCBLN Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)s1 ZINC000018159071 558832470 /nfs/dbraw/zinc/83/24/70/558832470.db2.gz XIQMBQJBWQQINB-VHEBQXMUSA-N 0 2 408.425 1.022 40 10 HDCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(N)=O ZINC000408961576 560658339 /nfs/dbraw/zinc/65/83/39/560658339.db2.gz NKXSQMLAJDQQKS-CXUHLZMHSA-N 0 2 423.425 1.843 40 10 HDCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1 ZINC000100478180 569052089 /nfs/dbraw/zinc/05/20/89/569052089.db2.gz DQUXFDAIJWQFLM-RVDMUPIBSA-N 0 2 405.414 1.764 40 10 HDCBLN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408536584 557341283 /nfs/dbraw/zinc/34/12/83/557341283.db2.gz WTGGQRFVOMMVKL-ZRDIBKRKSA-N 0 2 406.402 1.913 40 10 HDCBLN Cc1nnc(SC(=Cc2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])[nH]1 ZINC000409191250 560689365 /nfs/dbraw/zinc/68/93/65/560689365.db2.gz FIESCJMRFDTALU-XNTDXEJSSA-N 0 2 404.452 1.991 40 10 HDCBLN Cc1n[nH]c(SC(=Cc2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000409191250 560689366 /nfs/dbraw/zinc/68/93/66/560689366.db2.gz FIESCJMRFDTALU-XNTDXEJSSA-N 0 2 404.452 1.991 40 10 HDCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409223660 560699033 /nfs/dbraw/zinc/69/90/33/560699033.db2.gz HMYQAHWYRDYCTE-OVCLIPMQSA-N 0 2 410.342 1.125 40 10 HDCBLN CCOC(=O)[C@H]1[C@H](c2cc([N+](=O)[O-])ccc2O)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011859293 560775215 /nfs/dbraw/zinc/77/52/15/560775215.db2.gz HFPVHFKMWIGMJN-NRUUGDAUSA-N 0 2 409.342 1.249 40 10 HDCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000408530131 557297672 /nfs/dbraw/zinc/29/76/72/557297672.db2.gz LGYFCAGCWIOTRU-ACCUITESSA-N 0 2 421.413 1.464 40 10 HDCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000016363863 558788454 /nfs/dbraw/zinc/78/84/54/558788454.db2.gz HQPCTOMAFOUROY-JLHYYAGUSA-N 0 2 406.398 1.552 40 10 HDCBLN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C=C1C(=O)NC(=O)NC1=O ZINC000001637197 557278070 /nfs/dbraw/zinc/27/80/70/557278070.db2.gz PCGQGIYCBXXXPJ-YHYXMXQVSA-N 0 2 404.385 1.046 40 10 HDCBLN CCOC(=O)[C@H]1[C@@H](c2cc([N+](=O)[O-])ccc2O)NC(=S)N[C@]1(O)C(F)(F)F ZINC000034909265 557475624 /nfs/dbraw/zinc/47/56/24/557475624.db2.gz HFPVHFKMWIGMJN-GIPNMCIBSA-N 0 2 409.342 1.249 40 10 HDCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)C(=O)NC4=O)C2=O)cc1 ZINC000408530552 557298864 /nfs/dbraw/zinc/29/88/64/557298864.db2.gz METMGQBUPWJDIF-DHDCSXOGSA-N 0 2 406.354 1.158 40 10 HDCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409224229 560699045 /nfs/dbraw/zinc/69/90/45/560699045.db2.gz JDNWZFAFDLRMAC-OQLLNIDSSA-N 0 2 410.342 1.125 40 10 HDCBLN NC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000107888456 569361054 /nfs/dbraw/zinc/36/10/54/569361054.db2.gz IHDKPYGCJOXAJC-QPEQYQDCSA-N 0 2 416.777 1.574 40 10 HDCBLN COc1c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cccc1[N+](=O)[O-] ZINC000408857672 560647405 /nfs/dbraw/zinc/64/74/05/560647405.db2.gz VQRGYVSITFWIMQ-KPKJPENVSA-N 0 2 411.326 1.999 40 10 HDCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc2c1OCO2 ZINC000408946457 560656867 /nfs/dbraw/zinc/65/68/67/560656867.db2.gz AHEPQSIUBNPGMV-UUILKARUSA-N 0 2 410.338 1.819 40 10 HDCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408947305 560656955 /nfs/dbraw/zinc/65/69/55/560656955.db2.gz BXPLTPDTJNLRCI-OVCLIPMQSA-N 0 2 424.365 1.634 40 10 HDCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)cc1 ZINC000409224430 560697956 /nfs/dbraw/zinc/69/79/56/560697956.db2.gz KBQCKDQOMVXNLY-MHWRWJLKSA-N 0 2 423.381 1.004 40 10 HDCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)C(=O)NC4=O)C2=O)c(C)c1 ZINC000408526415 557287766 /nfs/dbraw/zinc/28/77/66/557287766.db2.gz BGRLWJBPUWJXON-OQLLNIDSSA-N 0 2 404.382 1.766 40 10 HDCBLN COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408954654 560657372 /nfs/dbraw/zinc/65/73/72/560657372.db2.gz SEERCVVTRBDYLD-RIYZIHGNSA-N 0 2 424.365 1.634 40 10 HDCBLN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=C2C(=O)NC(=O)NC2=O)n1 ZINC000409095782 560675726 /nfs/dbraw/zinc/67/57/26/560675726.db2.gz JDJVJOFPEICONU-UHFFFAOYSA-N 0 2 401.360 1.299 40 10 HDCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(I)o1 ZINC000409389499 560720449 /nfs/dbraw/zinc/72/04/49/560720449.db2.gz BPIIDVFXPXXXJH-JXMROGBWSA-N 0 2 409.139 1.946 40 10 HDCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)oc(=O)n4C)C2=O)cc1 ZINC000016364000 132463785 /nfs/dbraw/zinc/46/37/85/132463785.db2.gz RORZDHNDWCYTCG-UVTDQMKNSA-N 0 2 408.370 1.719 40 10 HDCBLN Cn1c(N)c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(C)c1=O ZINC000017719578 558827752 /nfs/dbraw/zinc/82/77/52/558827752.db2.gz NATXRYYJPJNDGJ-QZQOTICOSA-N 0 2 415.435 1.277 40 10 HDCBLN Cc1cc(NS(=O)(=O)c2ccc(/N=N/c3c(N)nc(N)nc3N)cc2)nc(C)n1 ZINC000018097556 558831115 /nfs/dbraw/zinc/83/11/15/558831115.db2.gz VBQNBAUWGLSJKJ-OCOZRVBESA-N 0 2 414.455 1.846 40 10 HDCBLN COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551722 569360163 /nfs/dbraw/zinc/36/01/63/569360163.db2.gz IMKCAPQPQNVWCE-CMHHUMAZSA-N 0 2 411.370 1.997 40 10 HDCBLN CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551673 569360242 /nfs/dbraw/zinc/36/02/42/569360242.db2.gz LJZXXNZBPBMPEQ-PTNGSMBKSA-N 0 2 411.370 1.998 40 10 HDCBLN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(O)c(Br)c1 ZINC000059426354 558936387 /nfs/dbraw/zinc/93/63/87/558936387.db2.gz IWEMRLDXULCSJJ-UHFFFAOYSA-N 0 2 406.055 1.832 40 10 HDCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000408948248 560657101 /nfs/dbraw/zinc/65/71/01/560657101.db2.gz FDOZGNDODQSAPP-GZTJUZNOSA-N 0 2 421.409 1.918 40 10 HDCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(N)=O ZINC000408963255 560658624 /nfs/dbraw/zinc/65/86/24/560658624.db2.gz YLXPIDYJULFRQO-RIYZIHGNSA-N 0 2 413.361 1.365 40 10 HDCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(N)=O)C2=O)cc1 ZINC000409222126 560698833 /nfs/dbraw/zinc/69/88/33/560698833.db2.gz BLGZKCXUZJVFHE-XNTDXEJSSA-N 0 2 423.381 1.004 40 10 HDCBLN COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408946734 560656849 /nfs/dbraw/zinc/65/68/49/560656849.db2.gz AWQTUMUOHSOEEF-NTUHNPAUSA-N 0 2 411.326 1.999 40 10 HDCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(N)=O ZINC000408966247 560658068 /nfs/dbraw/zinc/65/80/68/560658068.db2.gz ODQFJKVPWVRJLF-MHWRWJLKSA-N 0 2 423.425 1.924 40 10 HDCBLN COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551720 569360233 /nfs/dbraw/zinc/36/02/33/569360233.db2.gz IMKCAPQPQNVWCE-QJMZJAKPSA-N 0 2 411.370 1.997 40 10 HDCBLN Cc1nnc(NS(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)s1 ZINC000017021127 558811963 /nfs/dbraw/zinc/81/19/63/558811963.db2.gz RIQDSLDAAFAIQO-FMQUCBEESA-N 0 2 407.441 1.723 40 10 HDCBLN Cn1c(N)c(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)n(C)c1=O ZINC000017426531 558827422 /nfs/dbraw/zinc/82/74/22/558827422.db2.gz ZGICVIYWKXQXOW-HNENSFHCSA-N 0 2 421.464 1.339 40 10 HDCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(I)o1 ZINC000409239294 560699667 /nfs/dbraw/zinc/69/96/67/560699667.db2.gz MNHAILPBUFMWPR-UXBLZVDNSA-N 0 2 409.139 1.946 40 10 HDCBLN COc1ccc(N2CCN(C(=O)c3sc(NS(C)(=O)=O)nc3C)CC2)cc1 ZINC000225878683 568683215 /nfs/dbraw/zinc/68/32/15/568683215.db2.gz DMGSPJDNLMJNGB-UHFFFAOYSA-N 0 2 410.521 1.794 40 10 HDCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNn3cnnc3)C2=O)ccc1Br ZINC000408534355 557320714 /nfs/dbraw/zinc/32/07/14/557320714.db2.gz QOAHAZIZASDAHX-BJMVGYQFSA-N 0 2 405.212 1.368 40 10 HDCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-] ZINC000408949357 560656640 /nfs/dbraw/zinc/65/66/40/560656640.db2.gz HTLLOTBIJCAYEZ-WUXMJOGZSA-N 0 2 411.326 1.999 40 10 HDCBLN COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108184862 569361276 /nfs/dbraw/zinc/36/12/76/569361276.db2.gz SKUWVEXVAACGRO-COOUDCDJSA-N 0 2 411.370 1.997 40 10 HDCBLN NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000409226586 560698204 /nfs/dbraw/zinc/69/82/04/560698204.db2.gz VBRQHUQXEDFQEM-RIYZIHGNSA-N 0 2 415.789 1.576 40 10 HDCBLN COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033661711 569360326 /nfs/dbraw/zinc/36/03/26/569360326.db2.gz UYRQZMNSMIQQFO-GQVHDAKQSA-N 0 2 411.370 1.997 40 10 HDCBLN NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107916882 569361050 /nfs/dbraw/zinc/36/10/50/569361050.db2.gz WTGKCFBPKPTUPB-SDQBBNPISA-N 0 2 416.777 1.574 40 10 HDCBLN Cn1c(N)c(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(C)c1=O ZINC000104090750 559157955 /nfs/dbraw/zinc/15/79/55/559157955.db2.gz NATXRYYJPJNDGJ-MRCUWXFGSA-N 0 2 415.435 1.277 40 10 HDCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O ZINC000409225509 560698088 /nfs/dbraw/zinc/69/80/88/560698088.db2.gz QKHRSLLBMFVYDA-CXUHLZMHSA-N 0 2 423.425 1.843 40 10 HDCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(N)=O)c3)C2=O)cc1 ZINC000409222781 560698962 /nfs/dbraw/zinc/69/89/62/560698962.db2.gz CTMTVIYKGPMEPK-YBEGLDIGSA-N 0 2 423.381 1.004 40 10 HDCBLN Cc1nnc(NS(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)s1 ZINC000104090629 559157849 /nfs/dbraw/zinc/15/78/49/559157849.db2.gz RIQDSLDAAFAIQO-VXPUYCOJSA-N 0 2 407.441 1.723 40 10 HDCBLN NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409219925 560697995 /nfs/dbraw/zinc/69/79/95/560697995.db2.gz WQBIZQGHHYCVHZ-RIYZIHGNSA-N 0 2 410.342 1.125 40 10 HDCBLN COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033661713 569360295 /nfs/dbraw/zinc/36/02/95/569360295.db2.gz UYRQZMNSMIQQFO-DYTQJMLRSA-N 0 2 411.370 1.997 40 10 HDCBLN CCOC(=O)COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000035144993 569360785 /nfs/dbraw/zinc/36/07/85/569360785.db2.gz SXPGBEHHBVFJCH-WJDWOHSUSA-N 0 2 411.370 1.998 40 10 HDCBLN C[C@H](NC(=O)CCc1c(O)[nH]c(=O)[nH]c1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000100781845 559140831 /nfs/dbraw/zinc/14/08/31/559140831.db2.gz BTWSWSGGSJKUEE-AWEZNQCLSA-N 0 2 400.479 1.863 40 10 HDCBLN Cc1cc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(N)nc3N)cc2)nc(C)n1 ZINC000104090390 559157810 /nfs/dbraw/zinc/15/78/10/559157810.db2.gz VBQNBAUWGLSJKJ-IZHYLOQSSA-N 0 2 414.455 1.846 40 10 HDCBLN COc1ccc(NC(=O)N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408536765 557334623 /nfs/dbraw/zinc/33/46/23/557334623.db2.gz AZCKITFNPCFEKP-WJDWOHSUSA-N 0 2 410.386 1.992 40 10 HDCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNn2c(C)nc3ccccc3c2=O)C1=O ZINC000408537342 557338714 /nfs/dbraw/zinc/33/87/14/557338714.db2.gz ZZXAYYJILGJTGM-FOWTUZBSSA-N 0 2 417.425 1.978 40 10 HDCBLN C[C@@H](NC(=O)CCc1c(O)[nH]c(=O)[nH]c1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000100781843 559140818 /nfs/dbraw/zinc/14/08/18/559140818.db2.gz BTWSWSGGSJKUEE-CQSZACIVSA-N 0 2 400.479 1.863 40 10 HDCBLN CCOC(=O)[C@H]1[C@H](c2cc([N+](=O)[O-])ccc2O)NC(=S)N[C@]1(O)C(F)(F)F ZINC000034909261 557475552 /nfs/dbraw/zinc/47/55/52/557475552.db2.gz HFPVHFKMWIGMJN-GBIKHYSHSA-N 0 2 409.342 1.249 40 10 HDCBLN NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409222980 560698894 /nfs/dbraw/zinc/69/88/94/560698894.db2.gz FTEMDWIMXNTUMJ-NVNXTCNLSA-N 0 2 410.342 1.125 40 10 HDCBLN COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 ZINC000409393701 560719483 /nfs/dbraw/zinc/71/94/83/560719483.db2.gz SBADMMAXXAIMRJ-MHWRWJLKSA-N 0 2 404.382 1.876 40 10 HDCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc3c(c2)C(=O)NC3=O)C1=O ZINC000408539528 557359676 /nfs/dbraw/zinc/35/96/76/557359676.db2.gz WYYUHRHOSQAPIR-XNTDXEJSSA-N 0 2 404.382 1.711 40 10 HDCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)c1 ZINC000408962057 560658410 /nfs/dbraw/zinc/65/84/10/560658410.db2.gz GCXCCSFBLOOSBG-LICLKQGHSA-N 0 2 409.398 1.616 40 10 HDCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000408535941 557325747 /nfs/dbraw/zinc/32/57/47/557325747.db2.gz UTVKRHAFTXYHIZ-PTNGSMBKSA-N 0 2 421.413 1.464 40 10 HDCBLN Cc1cc(=O)[nH]c(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[N+](=O)[O-])n1 ZINC000409104442 560675581 /nfs/dbraw/zinc/67/55/81/560675581.db2.gz ZSRYJBKNGUUZFU-UHFFFAOYSA-N 0 2 401.360 1.299 40 10 HDCBLN NC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000107584199 569352660 /nfs/dbraw/zinc/35/26/60/569352660.db2.gz BKNULSYARKDQRE-NTEUORMPSA-N 0 2 406.373 1.932 40 10 HDCBLN CNS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000004852158 132290566 /nfs/dbraw/zinc/29/05/66/132290566.db2.gz GKLJKXWGIYGIKN-WJDWOHSUSA-N 0 2 414.443 1.482 40 10 HDCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)cc1 ZINC000408904111 560651742 /nfs/dbraw/zinc/65/17/42/560651742.db2.gz DYDPJVGXTGMUJD-GZTJUZNOSA-N 0 2 409.398 1.616 40 10 HDCBLN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(I)c1O ZINC000408928094 560655102 /nfs/dbraw/zinc/65/51/02/560655102.db2.gz WHJLBMDXKHKFIG-UHFFFAOYSA-N 0 2 408.604 1.565 40 10 HDCBLN COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C1=O)OCO2 ZINC000408951892 560657412 /nfs/dbraw/zinc/65/74/12/560657412.db2.gz MVCIZWAZFDCMJQ-UUILKARUSA-N 0 2 410.338 1.819 40 10 HDCBLN NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409217197 560697519 /nfs/dbraw/zinc/69/75/19/560697519.db2.gz AJNCWSGVSBPUTK-DHDCSXOGSA-N 0 2 410.342 1.125 40 10 HDCBLN