smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccsc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000159748160 186139058 /nfs/dbraw/zinc/13/90/58/186139058.db2.gz QPUDGRFEECJOPU-UHFFFAOYSA-N -1 0 318.445 3.137 20 70 DGIDRM Cc1nc(CCNC(=O)c2ccc([O-])c(Cl)c2)sc1C ZINC000160094945 197385509 /nfs/dbraw/zinc/38/55/09/197385509.db2.gz ZAVCSSFZVQTRQS-UHFFFAOYSA-N -1 0 310.806 3.091 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)[nH]n1 ZINC000159966052 432703016 /nfs/dbraw/zinc/70/30/16/432703016.db2.gz NCGHTHALBGBNIC-UHFFFAOYSA-N -1 0 319.386 3.299 20 70 DGIDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1C ZINC000160498530 432724416 /nfs/dbraw/zinc/72/44/16/432724416.db2.gz XNIVKPHSHOJIBP-UHFFFAOYSA-N -1 0 321.446 3.416 20 70 DGIDRM O=C(NCc1ccc(O)c(F)c1)NC[C@@H]1CCc2ccccc21 ZINC000159604843 432688575 /nfs/dbraw/zinc/68/85/75/432688575.db2.gz CIFVFKFHKQJDPT-AWEZNQCLSA-N -1 0 314.360 3.061 20 70 DGIDRM COc1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(OC)c1O ZINC000161327819 432773739 /nfs/dbraw/zinc/77/37/39/432773739.db2.gz YGEBPNQUWMVAHZ-LBPRGKRZSA-N -1 0 309.406 3.354 20 70 DGIDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000160134562 292808288 /nfs/dbraw/zinc/80/82/88/292808288.db2.gz FDVGKDXIXLBMMU-QGZVFWFLSA-N -1 0 321.380 3.281 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccccc2C)c1C ZINC000160191432 292809503 /nfs/dbraw/zinc/80/95/03/292809503.db2.gz NYORTNWWGPZNOC-UHFFFAOYSA-N -1 0 307.419 3.101 20 70 DGIDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000160408131 533708311 /nfs/dbraw/zinc/70/83/11/533708311.db2.gz CJRGHPVNBAYJGR-UHFFFAOYSA-N -1 0 311.790 3.463 20 70 DGIDRM COC(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000159452921 533769045 /nfs/dbraw/zinc/76/90/45/533769045.db2.gz TUSVJCQTEBPXQS-UHFFFAOYSA-N -1 0 319.744 3.013 20 70 DGIDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)s1 ZINC000161186897 292830815 /nfs/dbraw/zinc/83/08/15/292830815.db2.gz NZTAFQCHAMNWSJ-UHFFFAOYSA-N -1 0 315.391 3.206 20 70 DGIDRM CC(C)(C)O[C@H](C(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000161067438 432757723 /nfs/dbraw/zinc/75/77/23/432757723.db2.gz DZEJTGDJNXLANX-INIZCTEOSA-N -1 0 314.385 3.186 20 70 DGIDRM Cc1cc(Cl)ccc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000160806857 432741880 /nfs/dbraw/zinc/74/18/80/432741880.db2.gz OAJXAGUWACKFNO-UHFFFAOYSA-N -1 0 304.659 3.038 20 70 DGIDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(C)c1C ZINC000160090316 292806909 /nfs/dbraw/zinc/80/69/09/292806909.db2.gz ZKAOPTZKPIKIQV-KRWDZBQOSA-N -1 0 321.380 3.281 20 70 DGIDRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1ccccc1C(C)C ZINC000160113578 292807513 /nfs/dbraw/zinc/80/75/13/292807513.db2.gz LZUHETJIKOFHAZ-INIZCTEOSA-N -1 0 315.417 3.239 20 70 DGIDRM Cc1ccc(-c2nc(NC(=O)CCc3ccccc3F)n[nH]2)o1 ZINC000160379353 546060197 /nfs/dbraw/zinc/06/01/97/546060197.db2.gz LOUKXTOANQYZMA-UHFFFAOYSA-N -1 0 314.320 3.084 20 70 DGIDRM CCOc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000216916833 165375939 /nfs/dbraw/zinc/37/59/39/165375939.db2.gz HUWWHSZIPOOKOF-UHFFFAOYSA-N -1 0 323.352 3.229 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000159941827 432700703 /nfs/dbraw/zinc/70/07/03/432700703.db2.gz REFKODNJPYOVSW-UHFFFAOYSA-N -1 0 313.810 3.207 20 70 DGIDRM CCn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 ZINC000161171177 432762877 /nfs/dbraw/zinc/76/28/77/432762877.db2.gz BBMMTGAJNTWKEQ-UHFFFAOYSA-N -1 0 313.448 3.063 20 70 DGIDRM Cc1ccc(-c2nc(NC(=O)c3cc(F)c(C)cc3F)n[nH]2)o1 ZINC000160330320 546060104 /nfs/dbraw/zinc/06/01/04/546060104.db2.gz JZLULXAYHURIBQ-UHFFFAOYSA-N -1 0 318.283 3.212 20 70 DGIDRM COCCn1nc(C)c([N-]c2nc(C(C)(C)C)ns2)c1C ZINC000159879115 432699030 /nfs/dbraw/zinc/69/90/30/432699030.db2.gz XHDJTCICKACTIP-UHFFFAOYSA-N -1 0 309.439 3.039 20 70 DGIDRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1cccc2ccccc21 ZINC000160155022 432708043 /nfs/dbraw/zinc/70/80/43/432708043.db2.gz NRKWJGYYOYVRNV-KRWDZBQOSA-N -1 0 323.396 3.269 20 70 DGIDRM CC(C)CO[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000160930600 432749104 /nfs/dbraw/zinc/74/91/04/432749104.db2.gz JECHRWGZZBYYRG-NSHDSACASA-N -1 0 315.772 3.072 20 70 DGIDRM CC(C)CONC(=O)Nc1cc(F)ccc1Br ZINC000160954640 432751372 /nfs/dbraw/zinc/75/13/72/432751372.db2.gz PUIRVPPPSFTPCL-UHFFFAOYSA-N -1 0 305.147 3.297 20 70 DGIDRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1cc(Cl)ccc1C ZINC000160124731 292808216 /nfs/dbraw/zinc/80/82/16/292808216.db2.gz NNVVMNPRBJIQRK-CQSZACIVSA-N -1 0 321.808 3.077 20 70 DGIDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2O)c1 ZINC000160069145 546058346 /nfs/dbraw/zinc/05/83/46/546058346.db2.gz DKBXBOPGOZYJKE-UHFFFAOYSA-N -1 0 319.382 3.094 20 70 DGIDRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccccc1 ZINC000217930772 627103424 /nfs/dbraw/zinc/10/34/24/627103424.db2.gz GDILBEXGDBDKED-SNVBAGLBSA-N -1 0 304.729 3.474 20 70 DGIDRM C/C=C(\C=C\C(=O)Nc1cc(C)ccc1NS(C)(=O)=O)CC ZINC000160591871 432730575 /nfs/dbraw/zinc/73/05/75/432730575.db2.gz DCPVDIRNOKIWPO-BORDEDGDSA-N -1 0 322.430 3.218 20 70 DGIDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(C)c1C ZINC000160090444 432707498 /nfs/dbraw/zinc/70/74/98/432707498.db2.gz ZKAOPTZKPIKIQV-QGZVFWFLSA-N -1 0 321.380 3.281 20 70 DGIDRM CC(C)(C)O[C@@H](C(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000161067518 432758612 /nfs/dbraw/zinc/75/86/12/432758612.db2.gz DZEJTGDJNXLANX-MRXNPFEDSA-N -1 0 314.385 3.186 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)s2)c1C ZINC000160159512 292808919 /nfs/dbraw/zinc/80/89/19/292808919.db2.gz SEBLBLUQPLUUBJ-UHFFFAOYSA-N -1 0 313.448 3.162 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)n[nH]1 ZINC000159934195 432701442 /nfs/dbraw/zinc/70/14/42/432701442.db2.gz JKOXNLMRRYLXFZ-UHFFFAOYSA-N -1 0 311.382 3.001 20 70 DGIDRM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)CO2 ZINC000160133606 432708243 /nfs/dbraw/zinc/70/82/43/432708243.db2.gz USMBULUFGZAEKJ-CYBMUJFWSA-N -1 0 303.745 3.218 20 70 DGIDRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]OCc1cccnc1 ZINC000160724072 432737940 /nfs/dbraw/zinc/73/79/40/432737940.db2.gz KLPFCHBJERCTIA-CQSZACIVSA-N -1 0 314.385 3.222 20 70 DGIDRM CC(C)(C)c1ccccc1OCC(=O)[N-]OCc1cccnc1 ZINC000160839723 432744180 /nfs/dbraw/zinc/74/41/80/432744180.db2.gz LRYJTKCHZOVCST-UHFFFAOYSA-N -1 0 314.385 3.006 20 70 DGIDRM O=C([N-]OCc1cccnc1)C1(c2ccc(Cl)cc2)CC1 ZINC000160856625 432745897 /nfs/dbraw/zinc/74/58/97/432745897.db2.gz WCKPTVMQSREBMS-UHFFFAOYSA-N -1 0 302.761 3.015 20 70 DGIDRM O=C(N[C@@H](CCO)c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000159530804 534722709 /nfs/dbraw/zinc/72/27/09/534722709.db2.gz CWOTUIWLWJMSPI-AWEZNQCLSA-N -1 0 323.751 3.038 20 70 DGIDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000160134454 432708252 /nfs/dbraw/zinc/70/82/52/432708252.db2.gz FDVGKDXIXLBMMU-KRWDZBQOSA-N -1 0 321.380 3.281 20 70 DGIDRM CC[C@H](C)c1ccccc1OCC(=O)[N-]OCc1cccnc1 ZINC000160724207 432737617 /nfs/dbraw/zinc/73/76/17/432737617.db2.gz KLPFCHBJERCTIA-AWEZNQCLSA-N -1 0 314.385 3.222 20 70 DGIDRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(Cl)c2)C12CCC2 ZINC000160539752 527800119 /nfs/dbraw/zinc/80/01/19/527800119.db2.gz UAWKGFXSLILQFS-HUUCEWRRSA-N -1 0 323.820 3.465 20 70 DGIDRM Cc1cc(F)c(C(=O)Nc2nnc(C(F)(F)F)s2)cc1F ZINC000161021382 546065169 /nfs/dbraw/zinc/06/51/69/546065169.db2.gz KZPMCMMPVAJXAS-UHFFFAOYSA-N -1 0 323.246 3.396 20 70 DGIDRM Cc1cccc(Cl)c1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000161067151 432758332 /nfs/dbraw/zinc/75/83/32/432758332.db2.gz RWCBLHRWTMQTQB-UHFFFAOYSA-N -1 0 313.810 3.227 20 70 DGIDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000161295360 432771013 /nfs/dbraw/zinc/77/10/13/432771013.db2.gz HDLVKQGLIHMXGR-UHFFFAOYSA-N -1 0 309.362 3.415 20 70 DGIDRM COC(=O)Cc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000159453070 533768530 /nfs/dbraw/zinc/76/85/30/533768530.db2.gz IPYTWWRNMFKKMP-UHFFFAOYSA-N -1 0 319.744 3.013 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)n[nH]1 ZINC000159940470 197374754 /nfs/dbraw/zinc/37/47/54/197374754.db2.gz AYLXCXOQWQVRON-UHFFFAOYSA-N -1 0 313.810 3.207 20 70 DGIDRM Cc1cc(NC(=O)c2ccccc2O)n(-c2ccc(F)cc2)n1 ZINC000218441359 432657583 /nfs/dbraw/zinc/65/75/83/432657583.db2.gz CWGPUJDLEOXBEV-UHFFFAOYSA-N -1 0 311.316 3.278 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)n[nH]1 ZINC000159934651 432700920 /nfs/dbraw/zinc/70/09/20/432700920.db2.gz LDQRSYATHHIMSV-UHFFFAOYSA-N -1 0 311.382 3.001 20 70 DGIDRM CCc1ccc(NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000160156061 432708614 /nfs/dbraw/zinc/70/86/14/432708614.db2.gz WULJTZQORPTHNJ-KRWDZBQOSA-N -1 0 321.380 3.226 20 70 DGIDRM CC(C)CO[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000160930476 432749707 /nfs/dbraw/zinc/74/97/07/432749707.db2.gz JECHRWGZZBYYRG-LLVKDONJSA-N -1 0 315.772 3.072 20 70 DGIDRM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000161075322 432758085 /nfs/dbraw/zinc/75/80/85/432758085.db2.gz OZZFYKIWTDBUMZ-UHFFFAOYSA-N -1 0 313.810 3.227 20 70 DGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCC2)s1 ZINC000160499563 526787133 /nfs/dbraw/zinc/78/71/33/526787133.db2.gz FGFBTRZJEIIRHH-UHFFFAOYSA-N -1 0 315.460 3.041 20 70 DGIDRM O=C(Nc1ncccc1O)C1(c2cccc(F)c2)CCCC1 ZINC000218394403 432658178 /nfs/dbraw/zinc/65/81/78/432658178.db2.gz JRUHTCXCOTWADK-UHFFFAOYSA-N -1 0 300.333 3.377 20 70 DGIDRM O=c1nc(CCc2ccc(OC(F)F)cc2)[n-]c2ccsc21 ZINC000160156904 432707763 /nfs/dbraw/zinc/70/77/63/432707763.db2.gz MWKOBGKYHYSHMQ-UHFFFAOYSA-N -1 0 322.336 3.371 20 70 DGIDRM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)CO2 ZINC000160133722 432708648 /nfs/dbraw/zinc/70/86/48/432708648.db2.gz USMBULUFGZAEKJ-ZDUSSCGKSA-N -1 0 303.745 3.218 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000160141323 432709019 /nfs/dbraw/zinc/70/90/19/432709019.db2.gz DELRUPPBDWWHAE-UHFFFAOYSA-N -1 0 321.446 3.409 20 70 DGIDRM COc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)cc1 ZINC000160918578 432749018 /nfs/dbraw/zinc/74/90/18/432749018.db2.gz UKDKTOPICFZBDR-UHFFFAOYSA-N -1 0 320.395 3.106 20 70 DGIDRM COc1cc(C(=O)N[C@H](C)CCCC(C)C)cc(OC)c1O ZINC000161327691 432773525 /nfs/dbraw/zinc/77/35/25/432773525.db2.gz YGEBPNQUWMVAHZ-GFCCVEGCSA-N -1 0 309.406 3.354 20 70 DGIDRM CSc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1 ZINC000160649489 432733329 /nfs/dbraw/zinc/73/33/29/432733329.db2.gz GEEQLIGHNDECOI-UHFFFAOYSA-N -1 0 311.432 3.056 20 70 DGIDRM CCc1c([N-]S(=O)(=O)c2ccc(C)cc2)cnn1CC(C)C ZINC000160411249 546060321 /nfs/dbraw/zinc/06/03/21/546060321.db2.gz VZBRRDOYVRANOR-UHFFFAOYSA-N -1 0 321.446 3.211 20 70 DGIDRM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc([O-])c(Cl)c1 ZINC000160175816 197391098 /nfs/dbraw/zinc/39/10/98/197391098.db2.gz OQCZFHUAUVDDHF-LBPRGKRZSA-N -1 0 309.793 3.267 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)n[nH]1 ZINC000159972528 432703206 /nfs/dbraw/zinc/70/32/06/432703206.db2.gz DPMYKVYYWHWSSF-UHFFFAOYSA-N -1 0 311.382 3.001 20 70 DGIDRM O=C(c1ccc(Cl)cc1O)N1CC=C(C(F)(F)F)CC1 ZINC000160600480 432730851 /nfs/dbraw/zinc/73/08/51/432730851.db2.gz CYANHALQHYOWHK-UHFFFAOYSA-N -1 0 305.683 3.380 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)n[nH]1 ZINC000159970959 432703495 /nfs/dbraw/zinc/70/34/95/432703495.db2.gz RPBYPCSQIDCGPF-UHFFFAOYSA-N -1 0 311.382 3.001 20 70 DGIDRM Cc1ccc(NC(=O)NO[C@@H]2CCCCO2)cc1OC(F)F ZINC000160376534 432717147 /nfs/dbraw/zinc/71/71/47/432717147.db2.gz HIWMRCXFGSLZAY-GFCCVEGCSA-N -1 0 316.304 3.176 20 70 DGIDRM Cc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000160408109 432718476 /nfs/dbraw/zinc/71/84/76/432718476.db2.gz RDJFZYFOJMIXTN-UHFFFAOYSA-N -1 0 317.461 3.006 20 70 DGIDRM Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C ZINC000216916797 165375574 /nfs/dbraw/zinc/37/55/74/165375574.db2.gz SNHIGMOPLLUPSO-UHFFFAOYSA-N -1 0 307.353 3.447 20 70 DGIDRM CCc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000216917225 165376776 /nfs/dbraw/zinc/37/67/76/165376776.db2.gz HHKLHYWKWKFQCT-UHFFFAOYSA-N -1 0 307.353 3.393 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2cccc(F)c2C)n[nH]1 ZINC000159953698 432703418 /nfs/dbraw/zinc/70/34/18/432703418.db2.gz SMNXBUHERSEDHP-UHFFFAOYSA-N -1 0 311.382 3.001 20 70 DGIDRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1ccccc1C(C)C ZINC000160113688 432706963 /nfs/dbraw/zinc/70/69/63/432706963.db2.gz LZUHETJIKOFHAZ-MRXNPFEDSA-N -1 0 315.417 3.239 20 70 DGIDRM COc1ccsc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000159600967 292796323 /nfs/dbraw/zinc/79/63/23/292796323.db2.gz PQYNDMVCYPKNDP-UHFFFAOYSA-N -1 0 320.395 3.106 20 70 DGIDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2O)c1 ZINC000160071582 292806987 /nfs/dbraw/zinc/80/69/87/292806987.db2.gz HPQJMMVCMJWSIN-UHFFFAOYSA-N -1 0 319.382 3.094 20 70 DGIDRM COc1ccc(N(C)C(=O)c2ccc(Cl)cc2[O-])cc1F ZINC000159477401 533980743 /nfs/dbraw/zinc/98/07/43/533980743.db2.gz KJNQTMUZZCWYMG-UHFFFAOYSA-N -1 0 309.724 3.470 20 70 DGIDRM O=C(N[C@H](CCO)c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000159530667 534787666 /nfs/dbraw/zinc/78/76/66/534787666.db2.gz CWOTUIWLWJMSPI-CQSZACIVSA-N -1 0 323.751 3.038 20 70 DGIDRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(Cl)c2)C12CCC2 ZINC000160539885 528070698 /nfs/dbraw/zinc/07/06/98/528070698.db2.gz UAWKGFXSLILQFS-CABCVRRESA-N -1 0 323.820 3.465 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccccc2Cl)[nH]n1 ZINC000159957455 432703513 /nfs/dbraw/zinc/70/35/13/432703513.db2.gz OOKAJQGZLYSKOZ-UHFFFAOYSA-N -1 0 313.810 3.207 20 70 DGIDRM Cc1conc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160558958 432729119 /nfs/dbraw/zinc/72/91/19/432729119.db2.gz OYSFVWPGWKQHPP-UHFFFAOYSA-N -1 0 300.405 3.143 20 70 DGIDRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([O-])c(Cl)c2)C12CCC2 ZINC000160539635 528129362 /nfs/dbraw/zinc/12/93/62/528129362.db2.gz UAWKGFXSLILQFS-GJZGRUSLSA-N -1 0 323.820 3.465 20 70 DGIDRM CCc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000216922027 432653447 /nfs/dbraw/zinc/65/34/47/432653447.db2.gz NJFPTAHGOKUMMU-UHFFFAOYSA-N -1 0 307.353 3.393 20 70 DGIDRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1cccc2ccccc21 ZINC000160155159 432708971 /nfs/dbraw/zinc/70/89/71/432708971.db2.gz NRKWJGYYOYVRNV-QGZVFWFLSA-N -1 0 323.396 3.269 20 70 DGIDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)no1 ZINC000160395512 432718521 /nfs/dbraw/zinc/71/85/21/432718521.db2.gz YGBXWANYXGDXMO-UHFFFAOYSA-N -1 0 300.405 3.143 20 70 DGIDRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc(C)c1F ZINC000160653001 432734400 /nfs/dbraw/zinc/73/44/00/432734400.db2.gz IFUAQNXTSQQTNT-UHFFFAOYSA-N -1 0 311.382 3.090 20 70 DGIDRM O=C([N-]OCc1cccnc1)C1(c2cccc(F)c2)CCCC1 ZINC000160845988 432745500 /nfs/dbraw/zinc/74/55/00/432745500.db2.gz CLEPLMRUKVPNPR-UHFFFAOYSA-N -1 0 314.360 3.281 20 70 DGIDRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccccc1 ZINC000217930677 617884695 /nfs/dbraw/zinc/88/46/95/617884695.db2.gz GDILBEXGDBDKED-JTQLQIEISA-N -1 0 304.729 3.474 20 70 DGIDRM Cc1ccc(NC(=O)NO[C@H]2CCCCO2)cc1OC(F)F ZINC000160376625 432717623 /nfs/dbraw/zinc/71/76/23/432717623.db2.gz HIWMRCXFGSLZAY-LBPRGKRZSA-N -1 0 316.304 3.176 20 70 DGIDRM COc1cc(C(=O)NC(C)(C)CC(C)(C)C)cc(OC)c1O ZINC000161325087 432773143 /nfs/dbraw/zinc/77/31/43/432773143.db2.gz MYHQZFCVMJPEQV-UHFFFAOYSA-N -1 0 309.406 3.354 20 70 DGIDRM O=C(c1cc(Cl)ccc1O)N1CC=C(C(F)(F)F)CC1 ZINC000160599102 432730025 /nfs/dbraw/zinc/73/00/25/432730025.db2.gz VZGNXLDFPSANGX-UHFFFAOYSA-N -1 0 305.683 3.380 20 70 DGIDRM CCc1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1CC ZINC000160100549 292807553 /nfs/dbraw/zinc/80/75/53/292807553.db2.gz KOLAGZFSNGGRCX-UHFFFAOYSA-N -1 0 321.446 3.390 20 70 DGIDRM CCc1c([N-]S(=O)(=O)c2ccccc2C)cnn1CC(C)C ZINC000160387927 546059814 /nfs/dbraw/zinc/05/98/14/546059814.db2.gz DCHHYNFAVZINAI-UHFFFAOYSA-N -1 0 321.446 3.211 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)n[nH]1 ZINC000159961755 432703284 /nfs/dbraw/zinc/70/32/84/432703284.db2.gz XSLJGBUVBJHRPN-UHFFFAOYSA-N -1 0 319.839 3.268 20 70 DGIDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000160150827 432707868 /nfs/dbraw/zinc/70/78/68/432707868.db2.gz JHCQOUSZURLCFI-QGZVFWFLSA-N -1 0 321.380 3.281 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(CC)c2)c1C ZINC000160139647 432708203 /nfs/dbraw/zinc/70/82/03/432708203.db2.gz REUOYPYVIJZIKO-UHFFFAOYSA-N -1 0 321.446 3.355 20 70 DGIDRM CC(C)c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)[nH]n1 ZINC000160639428 432731866 /nfs/dbraw/zinc/73/18/66/432731866.db2.gz RCEQYFRYBUGVBG-UHFFFAOYSA-N -1 0 305.359 3.080 20 70 DGIDRM COc1ccc(O)c(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000160707597 534203885 /nfs/dbraw/zinc/20/38/85/534203885.db2.gz UKDLRJYGUGKVAM-UHFFFAOYSA-N -1 0 311.696 3.151 20 70 DGIDRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([O-])c(Cl)c2)C12CCC2 ZINC000160539505 527900789 /nfs/dbraw/zinc/90/07/89/527900789.db2.gz UAWKGFXSLILQFS-LSDHHAIUSA-N -1 0 323.820 3.465 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000160204998 432709644 /nfs/dbraw/zinc/70/96/44/432709644.db2.gz FDZDCBCHWBYNBK-UHFFFAOYSA-N -1 0 321.446 3.409 20 70 DGIDRM CC(C)(C)OC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000160785746 432740641 /nfs/dbraw/zinc/74/06/41/432740641.db2.gz DBOBLEICEHMCCM-UHFFFAOYSA-N -1 0 311.809 3.465 20 70 DGIDRM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc([O-])c(Cl)c1 ZINC000160175744 197391127 /nfs/dbraw/zinc/39/11/27/197391127.db2.gz OQCZFHUAUVDDHF-GFCCVEGCSA-N -1 0 309.793 3.267 20 70 DGIDRM COc1cc(C(=O)Nc2ccc3[nH]ccc3c2)cc(OC)c1O ZINC000161317991 432772687 /nfs/dbraw/zinc/77/26/87/432772687.db2.gz YDOOVBRXOGFAQW-UHFFFAOYSA-N -1 0 312.325 3.143 20 70 DGIDRM Cc1cc[nH]c(=O)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000161047089 525705799 /nfs/dbraw/zinc/70/57/99/525705799.db2.gz CWRHKBKXNGAJQI-UHFFFAOYSA-N -1 0 313.140 3.360 20 70 DGIDRM COc1ccc(O)c(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000218427484 432658430 /nfs/dbraw/zinc/65/84/30/432658430.db2.gz XZUUODXFNPMMHP-UHFFFAOYSA-N -1 0 321.336 3.110 20 70 DGIDRM O=C(Nc1cccc(C[N-]C(=O)C(F)(F)F)c1)c1ccccc1 ZINC000216838673 627024859 /nfs/dbraw/zinc/02/48/59/627024859.db2.gz WIPDXKIBVXTGKY-UHFFFAOYSA-N -1 0 322.286 3.117 20 70 DGIDRM C[C@H](O[N-]C(=O)C(C)(C)c1ccccc1)c1nc(C2CC2)no1 ZINC000160824580 197441536 /nfs/dbraw/zinc/44/15/36/197441536.db2.gz HRGXMTJNWXOETC-NSHDSACASA-N -1 0 315.373 3.034 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C)cc2F)n[nH]1 ZINC000159934042 432700990 /nfs/dbraw/zinc/70/09/90/432700990.db2.gz BZPGJTTWDRSJIH-UHFFFAOYSA-N -1 0 311.382 3.001 20 70 DGIDRM CCc1ccc(NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000160156199 432708778 /nfs/dbraw/zinc/70/87/78/432708778.db2.gz WULJTZQORPTHNJ-QGZVFWFLSA-N -1 0 321.380 3.226 20 70 DGIDRM CC(C)(C)OC1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000160957791 432750877 /nfs/dbraw/zinc/75/08/77/432750877.db2.gz HJFMCQNPBMRCEZ-UHFFFAOYSA-N -1 0 311.809 3.465 20 70 DGIDRM CCc1cc(=O)[nH]c(CN(Cc2ccco2)Cc2ccco2)n1 ZINC000160584303 432730458 /nfs/dbraw/zinc/73/04/58/432730458.db2.gz BQMVGMDVLISCRL-UHFFFAOYSA-N -1 0 313.357 3.133 20 70 DGIDRM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000160819699 432743769 /nfs/dbraw/zinc/74/37/69/432743769.db2.gz ZISPTXWRUXIDAN-UHFFFAOYSA-N -1 0 301.289 3.213 20 70 DGIDRM Cc1ccc(C(C)C)c(OCC(=O)[N-]OCc2cccnc2)c1 ZINC000160721129 197434470 /nfs/dbraw/zinc/43/44/70/197434470.db2.gz BOTDKUGDJUDEAJ-UHFFFAOYSA-N -1 0 314.385 3.140 20 70 DGIDRM O=C(NCCc1cc2ccccc2[nH]1)c1ccc([O-])c(Cl)c1 ZINC000159588359 228242771 /nfs/dbraw/zinc/24/27/71/228242771.db2.gz HISBBYBCKSSTCH-UHFFFAOYSA-N -1 0 314.772 3.499 20 70 DGIDRM CCc1cccc(C(=O)N2CCC(OC(C)(C)C)CC2)c1O ZINC000160953121 432751262 /nfs/dbraw/zinc/75/12/62/432751262.db2.gz IGMGVPBKMFJLQB-UHFFFAOYSA-N -1 0 305.418 3.374 20 70 DGIDRM C[C@@H](O[N-]C(=O)C(C)(C)c1ccccc1)c1nc(C2CC2)no1 ZINC000160824701 432744029 /nfs/dbraw/zinc/74/40/29/432744029.db2.gz HRGXMTJNWXOETC-LLVKDONJSA-N -1 0 315.373 3.034 20 70 DGIDRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1CC ZINC000159914114 292803054 /nfs/dbraw/zinc/80/30/54/292803054.db2.gz MZCGIYGCIZJPKP-UHFFFAOYSA-N -1 0 305.399 3.318 20 70 DGIDRM COC(=O)Cc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000160493382 533769505 /nfs/dbraw/zinc/76/95/05/533769505.db2.gz BPRGLQRHTWVTEG-UHFFFAOYSA-N -1 0 319.744 3.013 20 70 DGIDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000161198519 528857392 /nfs/dbraw/zinc/85/73/92/528857392.db2.gz XMSCBPNRCMPEIS-UHFFFAOYSA-N -1 0 321.442 3.339 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000160167891 432709514 /nfs/dbraw/zinc/70/95/14/432709514.db2.gz WQGPOOMMSNPTCI-UHFFFAOYSA-N -1 0 321.446 3.409 20 70 DGIDRM O=S(=O)(Cc1ccccc1F)[N-]c1nccc2sccc21 ZINC000160934743 432750163 /nfs/dbraw/zinc/75/01/63/432750163.db2.gz ZRCGFYIJQDAMKH-UHFFFAOYSA-N -1 0 322.386 3.377 20 70 DGIDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1C ZINC000160494225 400735270 /nfs/dbraw/zinc/73/52/70/400735270.db2.gz FLUUVSUHOHPWHS-UHFFFAOYSA-N -1 0 313.448 3.186 20 70 DGIDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000161297215 432771731 /nfs/dbraw/zinc/77/17/31/432771731.db2.gz MYSLBJMBLAWJOY-UHFFFAOYSA-N -1 0 315.391 3.477 20 70 DGIDRM O=C([N-]OCc1cccnc1)C1(c2cccc(Cl)c2)CC1 ZINC000160761000 432739274 /nfs/dbraw/zinc/73/92/74/432739274.db2.gz HINNKXQBOHBCJI-UHFFFAOYSA-N -1 0 302.761 3.015 20 70 DGIDRM Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1F ZINC000216922084 432652271 /nfs/dbraw/zinc/65/22/71/432652271.db2.gz UJVSPTCCMHUHHA-UHFFFAOYSA-N -1 0 311.316 3.278 20 70 DGIDRM Cc1cccc(-c2cncc(C(=O)Nc3ncccc3O)c2)c1 ZINC000159666999 432692757 /nfs/dbraw/zinc/69/27/57/432692757.db2.gz AGIPCXMMJAZPEG-UHFFFAOYSA-N -1 0 305.337 3.410 20 70 DGIDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000160150706 432708152 /nfs/dbraw/zinc/70/81/52/432708152.db2.gz JHCQOUSZURLCFI-KRWDZBQOSA-N -1 0 321.380 3.281 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(CC)cc2)c1C ZINC000160180485 292809564 /nfs/dbraw/zinc/80/95/64/292809564.db2.gz SKFRPWYCLZSGHU-UHFFFAOYSA-N -1 0 321.446 3.355 20 70 DGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)s1 ZINC000160518079 526786811 /nfs/dbraw/zinc/78/68/11/526786811.db2.gz XMSDZHQSOYRAKI-UHFFFAOYSA-N -1 0 315.460 3.041 20 70 DGIDRM O=C(Nc1ccc2c(c1)CCC2)c1nn(-c2ccccc2)cc1[O-] ZINC000217155783 304004374 /nfs/dbraw/zinc/00/43/74/304004374.db2.gz ABBLXRRYMUUUMN-UHFFFAOYSA-N -1 0 319.364 3.319 20 70 DGIDRM CCCCc1cc([N-]S(=O)(=O)c2cc(C)ccc2F)n[nH]1 ZINC000159970805 432703306 /nfs/dbraw/zinc/70/33/06/432703306.db2.gz PDUWCKZGIJCAPK-UHFFFAOYSA-N -1 0 311.382 3.001 20 70 DGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nccs2)s1 ZINC000160287651 432714211 /nfs/dbraw/zinc/71/42/11/432714211.db2.gz KDDZBTCPKONCHS-UHFFFAOYSA-N -1 0 302.446 3.303 20 70 DGIDRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ncccc1[O-] ZINC000160681061 432736406 /nfs/dbraw/zinc/73/64/06/432736406.db2.gz RMYJEYGNXBHRCP-UHFFFAOYSA-N -1 0 305.337 3.025 20 70 DGIDRM Cc1ccccc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000160920660 432749510 /nfs/dbraw/zinc/74/95/10/432749510.db2.gz FVXJRSDTPWKFSW-UHFFFAOYSA-N -1 0 304.396 3.406 20 70 DGIDRM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccccc1O ZINC000160952026 432750660 /nfs/dbraw/zinc/75/06/60/432750660.db2.gz AAUPXDKXOCQXNW-UHFFFAOYSA-N -1 0 301.346 3.004 20 70 DGIDRM Cc1cc(C)cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000216921988 301226876 /nfs/dbraw/zinc/22/68/76/301226876.db2.gz MOOZPRMKCZNRIP-UHFFFAOYSA-N -1 0 307.353 3.447 20 70 DGIDRM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1cc(Cl)ccc1C ZINC000160124615 432708050 /nfs/dbraw/zinc/70/80/50/432708050.db2.gz NNVVMNPRBJIQRK-AWEZNQCLSA-N -1 0 321.808 3.077 20 70 DGIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000160154215 432708412 /nfs/dbraw/zinc/70/84/12/432708412.db2.gz QFMSSASPJSJCDI-UHFFFAOYSA-N -1 0 307.419 3.101 20 70 DGIDRM Cc1ccc(C)c(SCC(=O)[N-]OCc2cccnc2)c1 ZINC000160827910 432744284 /nfs/dbraw/zinc/74/42/84/432744284.db2.gz RDMBSBNMEMOGSR-UHFFFAOYSA-N -1 0 302.399 3.039 20 70 DGIDRM