smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1O ZINC000252482768 455807954 /nfs/dbraw/zinc/80/79/54/455807954.db2.gz DNITUDFXBMEJOH-UHFFFAOYSA-N 0 2 349.742 3.133 40 10 EGCBLN Nc1cccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)c1 ZINC000020336480 212120710 /nfs/dbraw/zinc/12/07/10/212120710.db2.gz DNQYYEDOTAYWNU-UHFFFAOYSA-N 0 2 331.422 3.193 40 10 EGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1 ZINC000000179593 452528455 /nfs/dbraw/zinc/52/84/55/452528455.db2.gz NYQCRFFOZATJJX-UVTDQMKNSA-N 0 2 326.739 3.006 40 10 EGCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408876281 457589086 /nfs/dbraw/zinc/58/90/86/457589086.db2.gz NORIDMZMSSHRQH-XFXZXTDPSA-N 0 2 344.729 3.146 40 10 EGCBLN Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000006523473 452949732 /nfs/dbraw/zinc/94/97/32/452949732.db2.gz KHXBNYFXWAHCLK-UKTHLTGXSA-N 0 2 340.404 3.340 40 10 EGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(C)s2)C1=O ZINC000016162427 453596928 /nfs/dbraw/zinc/59/69/28/453596928.db2.gz QDMWSJDQJAZDAH-GXDHUFHOSA-N 0 2 340.404 3.285 40 10 EGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3F)C2=O)c1 ZINC000408898021 457589695 /nfs/dbraw/zinc/58/96/95/457589695.db2.gz KNZPSWZFSXOUSC-XNTDXEJSSA-N 0 2 338.338 3.109 40 10 EGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 ZINC000003189367 452747699 /nfs/dbraw/zinc/74/76/99/452747699.db2.gz WEFXFAYDBLLFJW-GXDHUFHOSA-N 0 2 337.291 3.102 40 10 EGCBLN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1O ZINC000013576057 453472307 /nfs/dbraw/zinc/47/23/07/453472307.db2.gz ORYTUYUCLOMYRU-XFFZJAGNSA-N 0 2 349.173 3.160 40 10 EGCBLN CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408742823 457587613 /nfs/dbraw/zinc/58/76/13/457587613.db2.gz YHOUQZHBNLGUHU-SFQUDFHCSA-N 0 2 334.375 3.476 40 10 EGCBLN CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408902571 457590004 /nfs/dbraw/zinc/59/00/04/457590004.db2.gz KFXYVXOVANBRAR-VMPIADEKSA-N 0 2 340.310 3.031 40 10 EGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1O ZINC000059106204 454253617 /nfs/dbraw/zinc/25/36/17/454253617.db2.gz XSDWXOQPDSUIAY-UKTHLTGXSA-N 0 2 326.283 3.038 40 10 EGCBLN CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408897987 257886485 /nfs/dbraw/zinc/88/64/85/257886485.db2.gz KDNGROAZNWMPCD-SFQUDFHCSA-N 0 2 334.375 3.224 40 10 EGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(F)cc1 ZINC000059106208 454253556 /nfs/dbraw/zinc/25/35/56/454253556.db2.gz JBHDXPMMEHDYBO-NTEUORMPSA-N 0 2 328.274 3.472 40 10 EGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000408908396 457590077 /nfs/dbraw/zinc/59/00/77/457590077.db2.gz CFFLCRQCSGUUIP-RIYZIHGNSA-N 0 2 344.729 3.146 40 10 EGCBLN CCN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)SC1=S ZINC000113830984 454936142 /nfs/dbraw/zinc/93/61/42/454936142.db2.gz GUJSQEWFAKEYAD-RUDMXATFSA-N 0 2 344.801 3.175 40 10 EGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)c1 ZINC000408968089 457590110 /nfs/dbraw/zinc/59/01/10/457590110.db2.gz WIQZSSBSCSRFKQ-XYOKQWHBSA-N 0 2 346.795 3.376 40 10 EGCBLN CCc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408913793 457590357 /nfs/dbraw/zinc/59/03/57/457590357.db2.gz NWDGGIBQPFHABD-MHWRWJLKSA-N 0 2 338.338 3.055 40 10 EGCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)s1 ZINC000408844722 257887428 /nfs/dbraw/zinc/88/74/28/257887428.db2.gz FDQMHRNREFRUCL-OQLLNIDSSA-N 0 2 340.404 3.340 40 10 EGCBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C ZINC000408527497 457581028 /nfs/dbraw/zinc/58/10/28/457581028.db2.gz FWWSYNPVHYTGCX-LFIBNONCSA-N 0 2 349.390 3.191 40 10 EGCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409245789 457597210 /nfs/dbraw/zinc/59/72/10/457597210.db2.gz ZDGJQNCXWOYWMW-XYOKQWHBSA-N 0 2 344.754 3.216 40 10 EGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3C)C2=O)cc1 ZINC000408990387 257883709 /nfs/dbraw/zinc/88/37/09/257883709.db2.gz XJKSCJCQEJEHKB-ATVHPVEESA-N 0 2 334.375 3.224 40 10 EGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)cc1Cl ZINC000408984573 457591345 /nfs/dbraw/zinc/59/13/45/457591345.db2.gz JCONWHXNAFUPKP-ZROIWOOFSA-N 0 2 340.766 3.315 40 10 EGCBLN O=c1cc2c(=O)c3ccccc3c3c4ccc(O)c(O)c4oc(c1O)c23 ZINC000095869944 304817794 /nfs/dbraw/zinc/81/77/94/304817794.db2.gz FAVCQGOMARIMEY-UHFFFAOYSA-N 0 2 346.294 3.167 40 10 EGCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000008371575 453196795 /nfs/dbraw/zinc/19/67/95/453196795.db2.gz VRDXJLTTYAVUHT-OQLLNIDSSA-N 0 2 340.766 3.315 40 10 EGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2)C1=O ZINC000408872763 457589036 /nfs/dbraw/zinc/58/90/36/457589036.db2.gz IINOXDHEAGVEOE-JLHYYAGUSA-N 0 2 340.766 3.315 40 10 EGCBLN O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1cccc(F)c1 ZINC000226095666 242088729 /nfs/dbraw/zinc/08/87/29/242088729.db2.gz AGQPHWROXYWWEA-KPKJPENVSA-N 0 2 334.709 3.080 40 10 EGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000001225738 452648515 /nfs/dbraw/zinc/64/85/15/452648515.db2.gz CTTXWYHQYXTDOY-GXDHUFHOSA-N 0 2 337.291 3.102 40 10 EGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1 ZINC000038162706 453939807 /nfs/dbraw/zinc/93/98/07/453939807.db2.gz VFESEMDEAOKQDR-PTNGSMBKSA-N 0 2 336.347 3.461 40 10 EGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccs2)C1=O ZINC000409220719 457596116 /nfs/dbraw/zinc/59/61/16/457596116.db2.gz DVYNCFCJJGNZTA-DHZHZOJOSA-N 0 2 346.795 3.376 40 10 EGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc(C)ccc3C)C2=O)c1 ZINC000101112772 219116187 /nfs/dbraw/zinc/11/61/87/219116187.db2.gz OXVUGIMZSFYUGL-WJDWOHSUSA-N 0 2 349.390 3.191 40 10 EGCBLN Cc1nn(C)c(C)c1N=CC1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000408755779 457587892 /nfs/dbraw/zinc/58/78/92/457587892.db2.gz FLJDNZNKLVWVKI-OQLLNIDSSA-N 0 2 343.818 3.409 40 10 EGCBLN CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408893417 457589641 /nfs/dbraw/zinc/58/96/41/457589641.db2.gz AGIPQDQOPSCINR-WFVPKAAFSA-N 0 2 336.347 3.201 40 10 EGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)s2)C1=O ZINC000006083644 452919141 /nfs/dbraw/zinc/91/91/41/452919141.db2.gz JNVLKLWJXUKIFC-FLIBITNWSA-N 0 2 346.795 3.376 40 10 EGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)c1 ZINC000006167723 452925413 /nfs/dbraw/zinc/92/54/13/452925413.db2.gz MWNNJIZVIVFQCF-LCYFTJDESA-N 0 2 326.377 3.031 40 10 EGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3F)C2=O)cc1C ZINC000408852127 457588763 /nfs/dbraw/zinc/58/87/63/457588763.db2.gz INFWEUOLYFEXOJ-XNTDXEJSSA-N 0 2 338.338 3.109 40 10 EGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000100998476 219113790 /nfs/dbraw/zinc/11/37/90/219113790.db2.gz BOAITPAMGJWPKA-OAHLLOKOSA-N 0 2 327.365 3.478 40 10 EGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc(F)c1 ZINC000059135080 454254264 /nfs/dbraw/zinc/25/42/64/454254264.db2.gz NQDWSIAFWIQNHC-NTEUORMPSA-N 0 2 328.274 3.472 40 10 EGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C)cc2)C1=O ZINC000408526944 457581243 /nfs/dbraw/zinc/58/12/43/457581243.db2.gz DNCLIFGGCJQAJF-FOWTUZBSSA-N 0 2 349.390 3.136 40 10 EGCBLN CCc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408536300 457581313 /nfs/dbraw/zinc/58/13/13/457581313.db2.gz VYYPPCKNTGCNSQ-NTCAYCPXSA-N 0 2 349.390 3.136 40 10 EGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3C)C2=O)cc1C ZINC000408784788 457587626 /nfs/dbraw/zinc/58/76/26/457587626.db2.gz XKHKLUSJKNQLHU-GZTJUZNOSA-N 0 2 334.375 3.278 40 10 EGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3)C2=O)cc1 ZINC000006798366 452990580 /nfs/dbraw/zinc/99/05/80/452990580.db2.gz AQISBYLINCAQFN-NPFCYVKHSA-N 0 2 332.359 3.218 40 10 EGCBLN CC(=Nc1cccnc1)C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112111758 454880870 /nfs/dbraw/zinc/88/08/70/454880870.db2.gz UPEOAXNBQDQQJS-WJDWOHSUSA-N 0 2 337.339 3.098 40 10 EGCBLN CC(=Nc1cccnc1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112111758 454880874 /nfs/dbraw/zinc/88/08/74/454880874.db2.gz UPEOAXNBQDQQJS-WJDWOHSUSA-N 0 2 337.339 3.098 40 10 EGCBLN Cc1nn(C)c(C)c1N=CC1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000408757979 457587849 /nfs/dbraw/zinc/58/78/49/457587849.db2.gz SYLSBUAYGSSJOD-LICLKQGHSA-N 0 2 337.427 3.372 40 10 EGCBLN Cc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)s1 ZINC000408901771 457590389 /nfs/dbraw/zinc/59/03/89/457590389.db2.gz ZXPDFMZONFYGCZ-OQLLNIDSSA-N 0 2 340.404 3.340 40 10 EGCBLN O=C1N=C(Nc2ccccc2)SC1=Cc1cccc([N+](=O)[O-])c1O ZINC000033908401 453918522 /nfs/dbraw/zinc/91/85/22/453918522.db2.gz BTBILZVRCPXJCK-UKTHLTGXSA-N 0 2 341.348 3.383 40 10 EGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)cc3)C2=O)cc1 ZINC000408984531 457591125 /nfs/dbraw/zinc/59/11/25/457591125.db2.gz IVXMWYPPXFLIBF-ATVHPVEESA-N 0 2 334.375 3.224 40 10 EGCBLN CC(C)CN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000033306918 453914339 /nfs/dbraw/zinc/91/43/39/453914339.db2.gz CAJSAWMFPCQONH-WUXMJOGZSA-N 0 2 338.410 3.158 40 10 EGCBLN Cc1ccsc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000013546844 302299153 /nfs/dbraw/zinc/29/91/53/302299153.db2.gz PPFOBCIFOITYDE-XFXZXTDPSA-N 0 2 326.377 3.031 40 10 EGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccsc2)C1=O ZINC000409242105 457597290 /nfs/dbraw/zinc/59/72/90/457597290.db2.gz LXUZJVTWEZUGCU-YRNVUSSQSA-N 0 2 346.795 3.376 40 10 EGCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1 ZINC000000453638 304655532 /nfs/dbraw/zinc/65/55/32/304655532.db2.gz RVGJFMMFZLFJSP-ZROIWOOFSA-N 0 2 337.291 3.102 40 10 EGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000000435988 304680133 /nfs/dbraw/zinc/68/01/33/304680133.db2.gz YPBYPPFDNRJIMT-MDWZMJQESA-N 0 2 333.174 3.455 40 10 EGCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408776498 457588054 /nfs/dbraw/zinc/58/80/54/457588054.db2.gz ZVVYOLRAQKVIMU-GZTJUZNOSA-N 0 2 334.375 3.278 40 10 EGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1F ZINC000408900740 457589988 /nfs/dbraw/zinc/58/99/88/457589988.db2.gz UIUPPELOKLJFPX-UKTHLTGXSA-N 0 2 344.729 3.146 40 10 EGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000408987901 457590928 /nfs/dbraw/zinc/59/09/28/457590928.db2.gz PICSENSVAKWUBR-WJDWOHSUSA-N 0 2 338.338 3.055 40 10 EGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3F)C2=O)cc1 ZINC000408984017 457591436 /nfs/dbraw/zinc/59/14/36/457591436.db2.gz HTPRBZORMZEQHR-PTNGSMBKSA-N 0 2 338.338 3.055 40 10 EGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000408845903 457588919 /nfs/dbraw/zinc/58/89/19/457588919.db2.gz NLDUZMSQASXWGN-NTEUORMPSA-N 0 2 344.729 3.146 40 10 EGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000108118647 454788042 /nfs/dbraw/zinc/78/80/42/454788042.db2.gz DAGYPZRNJASYRF-WQLSENKSSA-N 0 2 333.174 3.455 40 10 EGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(Cl)c2)C1=O ZINC000408868506 457588747 /nfs/dbraw/zinc/58/87/47/457588747.db2.gz MUCLZJFFCWIIRS-GXDHUFHOSA-N 0 2 340.766 3.315 40 10 EGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2)C1=O ZINC000408871750 257887083 /nfs/dbraw/zinc/88/70/83/257887083.db2.gz WZYZKUKYNHIDRR-NTEUORMPSA-N 0 2 340.766 3.315 40 10 EGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000006258422 304656861 /nfs/dbraw/zinc/65/68/61/304656861.db2.gz QCHPCQRNYZMDJA-LCYFTJDESA-N 0 2 344.729 3.146 40 10 EGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000408913156 457589899 /nfs/dbraw/zinc/58/98/99/457589899.db2.gz SUOJNYSZFPNYQY-MBXCTOFRSA-N 0 2 336.322 3.048 40 10 EGCBLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1Cl ZINC000390834439 457446322 /nfs/dbraw/zinc/44/63/22/457446322.db2.gz YVTOETCZKZVYFK-UHFFFAOYSA-N 0 2 325.773 3.049 40 10 EGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)c1 ZINC000004853842 301225359 /nfs/dbraw/zinc/22/53/59/301225359.db2.gz XZQWZRUVDSLHOW-NTEUORMPSA-N 0 2 326.377 3.031 40 10 EGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(C)c3)C2=O)cc1 ZINC000408988389 457591397 /nfs/dbraw/zinc/59/13/97/457591397.db2.gz QQBCEKGKOVMZCZ-ATVHPVEESA-N 0 2 334.375 3.224 40 10 EGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cl)C2=O)c1 ZINC000408741309 457588192 /nfs/dbraw/zinc/58/81/92/457588192.db2.gz OXWFMCPUESVINR-GXDHUFHOSA-N 0 2 340.766 3.315 40 10 EGCBLN Cc1ccsc1C=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000113835500 454935945 /nfs/dbraw/zinc/93/59/45/454935945.db2.gz XQWMBUINGIZIDS-UKTHLTGXSA-N 0 2 326.377 3.031 40 10 EGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000100998478 219113560 /nfs/dbraw/zinc/11/35/60/219113560.db2.gz BOAITPAMGJWPKA-HNNXBMFYSA-N 0 2 327.365 3.478 40 10 EGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000000053992 524533920 /nfs/dbraw/zinc/53/39/20/524533920.db2.gz NCZDABPFOCBIHH-MHWRWJLKSA-N 0 2 345.358 3.143 40 10 EGCBLN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000016292735 453600075 /nfs/dbraw/zinc/60/00/75/453600075.db2.gz TUEMTBMTHGKSKU-DHDCSXOGSA-N 0 2 337.335 3.415 40 10 EGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2sccc2C)C1=O ZINC000408998004 457591367 /nfs/dbraw/zinc/59/13/67/457591367.db2.gz PTUZPKNAFOAXHY-JLHYYAGUSA-N 0 2 340.404 3.285 40 10 EGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3)C2=O)c1 ZINC000006216976 301997159 /nfs/dbraw/zinc/99/71/59/301997159.db2.gz ZVMZDZFQZDXWSS-MKILNOHCSA-N 0 2 332.359 3.218 40 10 EGCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000000438918 452593265 /nfs/dbraw/zinc/59/32/65/452593265.db2.gz VEVOKWHOABPPCT-NTUHNPAUSA-N 0 2 349.173 3.160 40 10 EGCBLN O=C1NC(=S)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 ZINC000035962275 213053310 /nfs/dbraw/zinc/05/33/10/213053310.db2.gz WDMUMCYYKPXDEM-SDQBBNPISA-N 0 2 348.361 3.049 40 10 EGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)c1 ZINC000408868208 457588801 /nfs/dbraw/zinc/58/88/01/457588801.db2.gz MYSUGFNUXCPNBL-XNTDXEJSSA-N 0 2 340.766 3.315 40 10 EGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)cc1 ZINC000408901364 457590521 /nfs/dbraw/zinc/59/05/21/457590521.db2.gz XMGRVYZACOBBRT-XYOKQWHBSA-N 0 2 346.795 3.376 40 10 EGCBLN Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408993872 457590808 /nfs/dbraw/zinc/59/08/08/457590808.db2.gz XPQMQBSDLLTNJY-XYOKQWHBSA-N 0 2 346.795 3.376 40 10 EGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3sccc3C)C2=O)cc1 ZINC000408984312 457591169 /nfs/dbraw/zinc/59/11/69/457591169.db2.gz ITLWRQZXUFOBTK-UVTDQMKNSA-N 0 2 340.404 3.285 40 10 EGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)cc3)C2=O)c1 ZINC000408743019 457588067 /nfs/dbraw/zinc/58/80/67/457588067.db2.gz YNKBBEVSQCHLDR-XNTDXEJSSA-N 0 2 340.766 3.315 40 10 EGCBLN CCCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000036613136 213101834 /nfs/dbraw/zinc/10/18/34/213101834.db2.gz IISMGYREHHSVFI-XYOKQWHBSA-N 0 2 338.410 3.302 40 10 EGCBLN O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000005816352 452904196 /nfs/dbraw/zinc/90/41/96/452904196.db2.gz HWXDCLSNQXLQTA-WUXMJOGZSA-N 0 2 348.361 3.049 40 10 EGCBLN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000096669698 454376794 /nfs/dbraw/zinc/37/67/94/454376794.db2.gz VMHZOSRNPIBYPX-NTEUORMPSA-N 0 2 347.396 3.193 40 10 EGCBLN