smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C#N ZINC000435144873 605163001 /nfs/dbraw/zinc/16/30/01/605163001.db2.gz BAXDYNXBNDKBRS-UHFFFAOYSA-N -2 1 378.381 2.984 20 30 GFEDML C=CCC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(=O)[O-] ZINC000776598192 656764485 /nfs/dbraw/zinc/76/44/85/656764485.db2.gz YBQFVTVPUSAAJJ-LURJTMIESA-N -2 1 388.692 2.862 20 30 GFEDML CC(=CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000819764766 599312546 /nfs/dbraw/zinc/31/25/46/599312546.db2.gz KYDJBSBAFSQDBF-SOFGYWHQSA-N -2 1 388.313 2.522 20 30 GFEDML CN(CCCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(=O)[O-] ZINC000737415103 599911753 /nfs/dbraw/zinc/91/17/53/599911753.db2.gz FZJYIEIFSWQXGO-LLVKDONJSA-N -2 1 388.449 2.842 20 30 GFEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC000833074754 602124764 /nfs/dbraw/zinc/12/47/64/602124764.db2.gz BCILLPPWDJHPCK-UHFFFAOYSA-N -2 1 382.397 2.976 20 30 GFEDML C[C@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000824824008 604251063 /nfs/dbraw/zinc/25/10/63/604251063.db2.gz JCVLFMHEJLJQBZ-MWLCHTKSSA-N -2 1 388.449 2.698 20 30 GFEDML CC(C[C@@H]1CCCN1C(=O)[O-])=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000824767523 605467392 /nfs/dbraw/zinc/46/73/92/605467392.db2.gz JARQKJSYELEIJR-NSHDSACASA-N -2 1 375.433 2.607 20 30 GFEDML CSc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(Cl)cc1Cl ZINC000821979868 606759808 /nfs/dbraw/zinc/75/98/08/606759808.db2.gz ZUPIKCSEYZMKRP-UHFFFAOYSA-N -2 1 395.235 2.742 20 30 GFEDML N#CCCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000267537037 654933775 /nfs/dbraw/zinc/93/37/75/654933775.db2.gz YYKCQTHHJQIBCA-UHFFFAOYSA-N -2 1 379.463 2.678 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1Br ZINC000432730568 563591692 /nfs/dbraw/zinc/59/16/92/563591692.db2.gz LSASVUDEMISDGP-UHFFFAOYSA-N -2 1 381.207 2.820 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1Br ZINC000432755152 563592105 /nfs/dbraw/zinc/59/21/05/563592105.db2.gz ASFYCEVCJSMZJC-UHFFFAOYSA-N -2 1 399.197 2.959 20 30 GFEDML C=CCCCS(=O)(=O)[N-]c1c(OC)ccc(Br)c1C(=O)[O-] ZINC000516527935 564504141 /nfs/dbraw/zinc/50/41/41/564504141.db2.gz JCMMWFIVMCJEHL-UHFFFAOYSA-N -2 1 378.244 2.864 20 30 GFEDML N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)nc1-c1nn[n-]n1 ZINC000822815289 599314881 /nfs/dbraw/zinc/31/48/81/599314881.db2.gz OJTXSEAUXQXILS-VHSXEESVSA-N -2 1 389.206 2.510 20 30 GFEDML CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000823963037 609159592 /nfs/dbraw/zinc/15/95/92/609159592.db2.gz UFPZJASQWFEJLU-UHFFFAOYSA-N -2 1 387.375 2.826 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1Br ZINC000432683068 563591113 /nfs/dbraw/zinc/59/11/13/563591113.db2.gz VIIROVANTPLGFE-UHFFFAOYSA-N -2 1 395.234 2.749 20 30 GFEDML CC(C)(C#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436715154 563677653 /nfs/dbraw/zinc/67/76/53/563677653.db2.gz IDADDMVZRYVXSP-UHFFFAOYSA-N -2 1 379.463 2.534 20 30 GFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1 ZINC000747604522 655780507 /nfs/dbraw/zinc/78/05/07/655780507.db2.gz NFKXLTHLRDTUTR-UHFFFAOYSA-N -2 1 380.219 2.929 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1Br ZINC000788437997 657717330 /nfs/dbraw/zinc/71/73/30/657717330.db2.gz FLBZVLRRUADRQD-UHFFFAOYSA-N -2 1 397.206 2.525 20 30 GFEDML N#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000536498152 565038134 /nfs/dbraw/zinc/03/81/34/565038134.db2.gz RBAAYJRLDRTNGN-UHFFFAOYSA-N -2 1 381.207 2.820 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000588316577 565133548 /nfs/dbraw/zinc/13/35/48/565133548.db2.gz TWRJNGLBANOYRW-LBPRGKRZSA-N -2 1 389.216 2.952 20 30 GFEDML O=C([O-])C(=O)C(=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2n1 ZINC000823387597 606388361 /nfs/dbraw/zinc/38/83/61/606388361.db2.gz QANLNCPOLUZADZ-XFXZXTDPSA-N -2 1 377.385 2.671 20 30 GFEDML CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823963173 607964866 /nfs/dbraw/zinc/96/48/66/607964866.db2.gz XIYPUZANKMZDLL-UHFFFAOYSA-N -2 1 386.372 2.602 20 30 GFEDML C#C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)C ZINC000799042108 659161074 /nfs/dbraw/zinc/16/10/74/659161074.db2.gz NVEZJQMWRCGFLP-AWEZNQCLSA-N -2 1 378.475 2.642 20 30 GFEDML CSc1[n-]c(=O)c(C(=O)Nc2ccc(Br)cc2[O-])cc1C#N ZINC000124308385 551313467 /nfs/dbraw/zinc/31/34/67/551313467.db2.gz BVPNYTGVANPGAU-UHFFFAOYSA-N -2 1 380.223 2.689 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1Br ZINC000432729304 563591676 /nfs/dbraw/zinc/59/16/76/563591676.db2.gz PXULXOJAMJKHRX-UHFFFAOYSA-N -2 1 399.197 2.959 20 30 GFEDML N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000484573091 564591193 /nfs/dbraw/zinc/59/11/93/564591193.db2.gz VHIHDRHLWXZGRQ-UHFFFAOYSA-N -2 1 399.197 2.959 20 30 GFEDML C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000548266265 601985374 /nfs/dbraw/zinc/98/53/74/601985374.db2.gz RJVQZLHKJWEMCE-BMIGLBTASA-N -2 1 380.372 2.577 20 30 GFEDML O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826401254 608092424 /nfs/dbraw/zinc/09/24/24/608092424.db2.gz TVYICINHSSVJSV-UTCJRWHESA-N -2 1 392.343 2.881 20 30 GFEDML O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826401254 608092425 /nfs/dbraw/zinc/09/24/25/608092425.db2.gz TVYICINHSSVJSV-UTCJRWHESA-N -2 1 392.343 2.881 20 30 GFEDML C#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000163153527 655134597 /nfs/dbraw/zinc/13/45/97/655134597.db2.gz VFOPXCHBJXYABB-UHFFFAOYSA-N -2 1 378.475 2.788 20 30 GFEDML C#C[C@@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000791745400 658170705 /nfs/dbraw/zinc/17/07/05/658170705.db2.gz KBBAYWRWUAUYFM-LBPRGKRZSA-N -2 1 378.475 2.786 20 30 GFEDML C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833377013 605263983 /nfs/dbraw/zinc/26/39/83/605263983.db2.gz YPLPWRLVLKLTPD-UHFFFAOYSA-N -2 1 393.396 2.632 20 30 GFEDML N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000833964597 605627658 /nfs/dbraw/zinc/62/76/58/605627658.db2.gz KXTJRMOHAHNTAY-KRWDZBQOSA-N -2 1 380.404 2.505 20 30 GFEDML N#Cc1cc([N-]C(=O)c2csc(CNC(=O)[O-])n2)c(Cl)c([N+](=O)[O-])c1 ZINC000833973591 605930780 /nfs/dbraw/zinc/93/07/80/605930780.db2.gz BIEGXYFCRHHLPK-UHFFFAOYSA-N -2 1 381.757 2.596 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC000788490810 657729106 /nfs/dbraw/zinc/72/91/06/657729106.db2.gz ASAMSELNCQKXPI-UHFFFAOYSA-N -2 1 398.194 2.735 20 30 GFEDML CN(CCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(=O)[O-] ZINC000737415104 599911884 /nfs/dbraw/zinc/91/18/84/599911884.db2.gz FZJYIEIFSWQXGO-NSHDSACASA-N -2 1 388.449 2.842 20 30 GFEDML Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738956710 600538567 /nfs/dbraw/zinc/53/85/67/600538567.db2.gz FBUIQYRXMHULQR-UHFFFAOYSA-N -2 1 385.405 2.762 20 30 GFEDML O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000275167589 655220814 /nfs/dbraw/zinc/22/08/14/655220814.db2.gz BMFULODCUVKNGX-ZETCQYMHSA-N -2 1 383.241 2.528 20 30 GFEDML CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000823962793 607964825 /nfs/dbraw/zinc/96/48/25/607964825.db2.gz OVBDSTSSFYSXSZ-UHFFFAOYSA-N -2 1 386.372 2.503 20 30 GFEDML N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000544634619 564391771 /nfs/dbraw/zinc/39/17/71/564391771.db2.gz OOBNQGCIQGTDJE-UHFFFAOYSA-N -2 1 381.207 2.820 20 30 GFEDML N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000547868791 564514443 /nfs/dbraw/zinc/51/44/43/564514443.db2.gz NAUGAAHBGCGPAG-UHFFFAOYSA-N -2 1 381.753 2.619 20 30 GFEDML N#Cc1[n-]c(NC(=O)CC2CCC(c3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC000737706457 598513383 /nfs/dbraw/zinc/51/33/83/598513383.db2.gz XSZYNLBDCPGBFF-UHFFFAOYSA-N -2 1 376.424 2.764 20 30 GFEDML N#Cc1ccc(OCc2ccc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)o2)cc1 ZINC000739128382 600630733 /nfs/dbraw/zinc/63/07/33/600630733.db2.gz BHROTFBSMMAQBI-UHFFFAOYSA-N -2 1 398.400 2.851 20 30 GFEDML N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833761418 605784980 /nfs/dbraw/zinc/78/49/80/605784980.db2.gz ZQPXKJVGMXBRSC-UHFFFAOYSA-N -2 1 376.781 2.587 20 30 GFEDML Cc1sc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1-c1ccc(F)cc1 ZINC000822553894 606694282 /nfs/dbraw/zinc/69/42/82/606694282.db2.gz SNEPBIXVCMJUAU-UHFFFAOYSA-N -2 1 394.395 2.890 20 30 GFEDML CC[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000273919080 655164258 /nfs/dbraw/zinc/16/42/58/655164258.db2.gz ZHBSQQTWLFIQCK-NSHDSACASA-N -2 1 379.463 2.677 20 30 GFEDML N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000436638350 563675818 /nfs/dbraw/zinc/67/58/18/563675818.db2.gz CZAGBRDPMYFUAV-UHFFFAOYSA-N -2 1 397.206 2.525 20 30 GFEDML CC(=CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000819764563 599313008 /nfs/dbraw/zinc/31/30/08/599313008.db2.gz JRDPQDABZFEQJX-YVMONPNESA-N -2 1 388.313 2.522 20 30 GFEDML CC(C)(CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)NC(=O)[O-] ZINC000738731764 603160128 /nfs/dbraw/zinc/16/01/28/603160128.db2.gz WTMRRKJGSUHDPJ-JTQLQIEISA-N -2 1 388.449 2.888 20 30 GFEDML C#CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767737132 656217993 /nfs/dbraw/zinc/21/79/93/656217993.db2.gz KSTIVPOUBXRLQH-UHFFFAOYSA-N -2 1 383.784 2.990 20 30 GFEDML N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1 ZINC000776433083 656739578 /nfs/dbraw/zinc/73/95/78/656739578.db2.gz MTQNCIQSXSFCRK-UHFFFAOYSA-N -2 1 397.206 2.525 20 30 GFEDML C#C[C@H](CCC)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000791742273 658169121 /nfs/dbraw/zinc/16/91/21/658169121.db2.gz FBHCIONVOSRRAE-GFCCVEGCSA-N -2 1 378.475 2.786 20 30 GFEDML N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000153965306 551463939 /nfs/dbraw/zinc/46/39/39/551463939.db2.gz VGXKWXRDKJTZQY-UHFFFAOYSA-N -2 1 381.207 2.820 20 30 GFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000738317960 600757276 /nfs/dbraw/zinc/75/72/76/600757276.db2.gz DKPBXRZCJPUEBM-UHFFFAOYSA-N -2 1 385.445 2.966 20 30 GFEDML CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000823963255 607530029 /nfs/dbraw/zinc/53/00/29/607530029.db2.gz ZQCIJHPAIIIPEE-UHFFFAOYSA-N -2 1 386.372 2.602 20 30 GFEDML N#C[C@H](C(=O)CCCCNC(=O)[O-])c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000833960275 605909310 /nfs/dbraw/zinc/90/93/10/605909310.db2.gz HNJKDUFFCZDAPR-LLVKDONJSA-N -2 1 388.449 2.890 20 30 GFEDML C#C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])C(C)C ZINC000799047295 659161545 /nfs/dbraw/zinc/16/15/45/659161545.db2.gz UCUUSEVJKSTZIQ-CQSZACIVSA-N -2 1 378.475 2.642 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1Br ZINC000436960714 563686748 /nfs/dbraw/zinc/68/67/48/563686748.db2.gz HVVBJVNSDWXYRL-UHFFFAOYSA-N -2 1 397.206 2.525 20 30 GFEDML 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-2 1 395.234 2.749 20 30 GFEDML C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000575012917 564690832 /nfs/dbraw/zinc/69/08/32/564690832.db2.gz SVUYDIROTDFVRZ-ZCFIWIBFSA-N -2 1 388.692 2.862 20 30 GFEDML O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000557382001 564862056 /nfs/dbraw/zinc/86/20/56/564862056.db2.gz YGWFLDPYSCQXIF-ZCFIWIBFSA-N -2 1 397.268 2.776 20 30 GFEDML N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000588316576 565133517 /nfs/dbraw/zinc/13/35/17/565133517.db2.gz TWRJNGLBANOYRW-GFCCVEGCSA-N -2 1 389.216 2.952 20 30 GFEDML O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1ccccc1C(F)(F)F ZINC000916102627 664450150 /nfs/dbraw/zinc/45/01/50/664450150.db2.gz ARBQSTRUFDVPSC-UHFFFAOYSA-N -2 1 389.252 2.962 20 30 GFEDML O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000551996776 564672378 /nfs/dbraw/zinc/67/23/78/564672378.db2.gz PUFCVXZWEFLBMW-SSDOTTSWSA-N -2 1 397.268 2.776 20 30 GFEDML Cc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(C)n1C1CCCCC1 ZINC000737237959 598556059 /nfs/dbraw/zinc/55/60/59/598556059.db2.gz FSRFULCZRGHMPA-UHFFFAOYSA-N -2 1 379.428 2.637 20 30 GFEDML N#Cc1[n-]c(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)nc1-c1nn[n-]n1 ZINC000822814896 599314279 /nfs/dbraw/zinc/31/42/79/599314279.db2.gz KTJCLTRKDMQPPI-MRXNPFEDSA-N -2 1 398.430 2.817 20 30 GFEDML C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000485269494 605160831 /nfs/dbraw/zinc/16/08/31/605160831.db2.gz DPLTXLKRYHLMRB-UHFFFAOYSA-N -2 1 393.396 2.632 20 30 GFEDML C=CCC(F)(F)C(=O)[N-]C[C@](C)([N-]C(=O)C(F)(F)CC=C)C(F)(F)F ZINC000297735177 563334349 /nfs/dbraw/zinc/33/43/49/563334349.db2.gz KQAZLRLAMSRLET-NSHDSACASA-N -2 1 378.288 2.963 20 30 GFEDML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1 ZINC000738689505 600424161 /nfs/dbraw/zinc/42/41/61/600424161.db2.gz QNCFTQPOPUGKES-UHFFFAOYSA-N -2 1 378.409 2.980 20 30 GFEDML C#C[C@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000791745399 658170918 /nfs/dbraw/zinc/17/09/18/658170918.db2.gz KBBAYWRWUAUYFM-GFCCVEGCSA-N -2 1 378.475 2.786 20 30 GFEDML C=CCSCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436536041 563673478 /nfs/dbraw/zinc/67/34/78/563673478.db2.gz BZQBLCSBPQWFCH-UHFFFAOYSA-N -2 1 398.531 2.904 20 30 GFEDML C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000825687399 601856100 /nfs/dbraw/zinc/85/61/00/601856100.db2.gz IZEDKOZAVKLQLV-UHFFFAOYSA-N -2 1 393.396 2.632 20 30 GFEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)ccc1Cl ZINC000509668660 564308799 /nfs/dbraw/zinc/30/87/99/564308799.db2.gz URGLEGSODGFXDU-UHFFFAOYSA-N -2 1 384.772 2.615 20 30 GFEDML N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000833964598 605627616 /nfs/dbraw/zinc/62/76/16/605627616.db2.gz KXTJRMOHAHNTAY-QGZVFWFLSA-N -2 1 380.404 2.505 20 30 GFEDML O=C([O-])C(=O)C(=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2n1 ZINC000823387596 606388330 /nfs/dbraw/zinc/38/83/30/606388330.db2.gz QANLNCPOLUZADZ-FMIVXFBMSA-N -2 1 377.385 2.671 20 30 GFEDML