smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(CCN2CCC[C@@H]2c2ccnc([N-]c3ncccn3)n2)cc1 ZINC000072377565 203208741 /nfs/dbraw/zinc/20/87/41/203208741.db2.gz AZFFQPOJIKCAHX-GOSISDBHSA-N -1 3 346.438 3.390 40 0 EGABHM O=C(c1ccnc(OCC(F)F)c1)N1CCCc2cccc([O-])c21 ZINC000097233731 219001365 /nfs/dbraw/zinc/00/13/65/219001365.db2.gz POKZYWWJDVWADP-UHFFFAOYSA-N -1 3 334.322 3.024 40 0 EGABHM Cc1ccc(C(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)o1 ZINC000409061772 257881206 /nfs/dbraw/zinc/88/12/06/257881206.db2.gz HUCNTGMCIYTAKQ-LLHLLMPMSA-N -1 3 330.306 3.087 40 0 EGABHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000006800769 275744247 /nfs/dbraw/zinc/74/42/47/275744247.db2.gz OZPLHFFEUBLTRN-UHFFFAOYSA-N -1 3 333.409 3.382 40 0 EGABHM Cc1ccc(OCC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000224184521 456064091 /nfs/dbraw/zinc/06/40/91/456064091.db2.gz YKNGBIFKVPRVPG-UHFFFAOYSA-N -1 3 331.846 3.067 40 0 EGABHM Cc1cccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)C(C)(C)C)c1[O-] ZINC000000279574 452551833 /nfs/dbraw/zinc/55/18/33/452551833.db2.gz MAAAQAZKSSDXMT-HNNXBMFYSA-N -1 3 344.333 3.200 40 0 EGABHM O=S(=O)([N-]CCc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000006315073 452933133 /nfs/dbraw/zinc/93/31/33/452933133.db2.gz LBIIXWFJDXAEMH-UHFFFAOYSA-N -1 3 347.333 3.366 40 0 EGABHM Cc1cccc(-c2nnc3sc([N-]C(=O)c4cccs4)nn32)c1 ZINC000006818073 452994808 /nfs/dbraw/zinc/99/48/08/452994808.db2.gz GBERHCITUXCGBD-UHFFFAOYSA-N -1 3 341.421 3.475 40 0 EGABHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)cc1 ZINC000010274241 453283701 /nfs/dbraw/zinc/28/37/01/453283701.db2.gz XDKANOZPVAHOBN-UHFFFAOYSA-N -1 3 342.420 3.254 40 0 EGABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C ZINC000055545951 453993340 /nfs/dbraw/zinc/99/33/40/453993340.db2.gz BCFOIMOLLKMMRD-UHFFFAOYSA-N -1 3 348.424 3.071 40 0 EGABHM Cc1csc([N-]C(=O)c2nnn(Cc3ccc(C)cc3)c2Cl)n1 ZINC000096183530 454298553 /nfs/dbraw/zinc/29/85/53/454298553.db2.gz HTCPDXGHHDDBIB-UHFFFAOYSA-N -1 3 347.831 3.305 40 0 EGABHM CCN1C[C@H](CN(C)C(=O)c2cc(C)ccc2[O-])Oc2ccccc21 ZINC000048342383 454475855 /nfs/dbraw/zinc/47/58/55/454475855.db2.gz OYOQLWNULMIRTA-HNNXBMFYSA-N -1 3 340.423 3.060 40 0 EGABHM Cn1nc(CC(C)(C)C)cc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000194184989 455812745 /nfs/dbraw/zinc/81/27/45/455812745.db2.gz KSYBZOBQHNQLSS-UHFFFAOYSA-N -1 3 338.415 3.046 40 0 EGABHM O=C1N/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1Cc1ccccc1F ZINC000409067448 457591915 /nfs/dbraw/zinc/59/19/15/457591915.db2.gz QVUFFDYGUBWPMU-RIYZIHGNSA-N -1 3 346.745 3.278 40 0 EGABHM CC1(C)CC[C@H]2CN(Cc3ccccc3OCC(=O)[O-])CC[C@@]2(C)O1 ZINC000585285820 459833850 /nfs/dbraw/zinc/83/38/50/459833850.db2.gz NBNWVDJOOLXDCF-OXJNMPFZSA-N -1 3 347.455 3.320 40 0 EGABHM CCN(Cc1ccc(Cl)s1)CC1(O)CCC(C(=O)[O-])CC1 ZINC000574996017 459906611 /nfs/dbraw/zinc/90/66/11/459906611.db2.gz QRCKTFDCCCEISJ-UHFFFAOYSA-N -1 3 331.865 3.229 40 0 EGABHM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(C)c1 ZINC000055643770 214335272 /nfs/dbraw/zinc/33/52/72/214335272.db2.gz CJPUNZOZQCBIAC-UHFFFAOYSA-N -1 3 335.425 3.129 40 0 EGABHM Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c([O-])c1 ZINC000008378877 201746582 /nfs/dbraw/zinc/74/65/82/201746582.db2.gz YGVZTBJVOCRLJW-OAHLLOKOSA-N -1 3 328.393 3.142 40 0 EGABHM COC([O-])=NC(=S)N1CCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000004455886 291189532 /nfs/dbraw/zinc/18/95/32/291189532.db2.gz DTHKQFFZMNSQSW-OAHLLOKOSA-N -1 3 343.452 3.284 40 0 EGABHM COC(=O)N=C([S-])N1CCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000004455886 291189533 /nfs/dbraw/zinc/18/95/33/291189533.db2.gz DTHKQFFZMNSQSW-OAHLLOKOSA-N -1 3 343.452 3.284 40 0 EGABHM COC(=O)[N-]C(=S)N1CCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000004455886 291189534 /nfs/dbraw/zinc/18/95/34/291189534.db2.gz DTHKQFFZMNSQSW-OAHLLOKOSA-N -1 3 343.452 3.284 40 0 EGABHM Cc1cc(NC(=S)NC(=O)C(C)(C)C)cc(Br)c1[O-] ZINC000226243517 205121694 /nfs/dbraw/zinc/12/16/94/205121694.db2.gz NQVPKLKDBDXVLL-UHFFFAOYSA-N -1 3 345.262 3.322 40 0 EGABHM COCCNC(=O)c1ccc2c(c1[O-])[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 ZINC000257271696 285073322 /nfs/dbraw/zinc/07/33/22/285073322.db2.gz MZKHCANQWNKCAX-BPLDGKMQSA-N -1 3 347.455 3.459 40 0 EGABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(F)c2)N1 ZINC000409101043 257879516 /nfs/dbraw/zinc/87/95/16/257879516.db2.gz OYAMISLXXIVKGS-AWEZNQCLSA-N -1 3 332.297 3.469 40 0 EGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)c(Br)c2)cc1 ZINC000070217126 454167757 /nfs/dbraw/zinc/16/77/57/454167757.db2.gz KGZAZZDKHQXQHI-UHFFFAOYSA-N -1 3 341.230 3.141 40 0 EGABHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000007387674 453068689 /nfs/dbraw/zinc/06/86/89/453068689.db2.gz FWAQOMXOZBZYBH-UHFFFAOYSA-N -1 3 327.764 3.483 40 0 EGABHM CCc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000009228281 453245659 /nfs/dbraw/zinc/24/56/59/453245659.db2.gz URZQKOQYVRKUKZ-UHFFFAOYSA-N -1 3 344.436 3.177 40 0 EGABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000013049183 453442344 /nfs/dbraw/zinc/44/23/44/453442344.db2.gz SFMSLSOHKOYLRY-KRWDZBQOSA-N -1 3 346.452 3.248 40 0 EGABHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)C ZINC000015363948 453569926 /nfs/dbraw/zinc/56/99/26/453569926.db2.gz FAAHSHBIHMNGOU-CQSZACIVSA-N -1 3 326.393 3.106 40 0 EGABHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc2ccccc2c1 ZINC000016087262 453593537 /nfs/dbraw/zinc/59/35/37/453593537.db2.gz GATRNRDSUSCDJM-NSHDSACASA-N -1 3 330.409 3.484 40 0 EGABHM O=c1cc(-c2cc(Br)ccc2[O-])nc2n1CCCCC2 ZINC000016769160 453621555 /nfs/dbraw/zinc/62/15/55/453621555.db2.gz HVNFIFQBSAESJU-UHFFFAOYSA-N -1 3 335.201 3.105 40 0 EGABHM O=C([N-]c1nn2c(nnc2-c2ccc(Cl)cc2)s1)c1ccco1 ZINC000041108751 453956243 /nfs/dbraw/zinc/95/62/43/453956243.db2.gz DTRZVVFFGLPMSY-UHFFFAOYSA-N -1 3 345.771 3.352 40 0 EGABHM CCOc1ccc(OCC)c(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000044831990 454121390 /nfs/dbraw/zinc/12/13/90/454121390.db2.gz BVOUQEIBQMJWDL-GFCCVEGCSA-N -1 3 333.388 3.220 40 0 EGABHM O=C1[N-]C(=O)/C(=C/c2ccc(F)c(Br)c2)c2ccccc21 ZINC000045528911 454165124 /nfs/dbraw/zinc/16/51/24/454165124.db2.gz HMRXAUOVKYHOEI-KPKJPENVSA-N -1 3 346.155 3.399 40 0 EGABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C ZINC000408603650 457583942 /nfs/dbraw/zinc/58/39/42/457583942.db2.gz GSRVAADFVUFYJN-UHFFFAOYSA-N -1 3 332.425 3.371 40 0 EGABHM Cc1cccc(C(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)c1 ZINC000409180118 457595964 /nfs/dbraw/zinc/59/59/64/457595964.db2.gz UHVQDVZGPAICST-PVXIVEMSSA-N -1 3 340.345 3.494 40 0 EGABHM O=c1cc(-c2ccccn2)nc([C@H]2CCCN2C[C@H]2CC=CCC2)[n-]1 ZINC000019402502 202007439 /nfs/dbraw/zinc/00/74/39/202007439.db2.gz NIUJZZGJGGKOQR-MAUKXSAKSA-N -1 3 336.439 3.325 40 0 EGABHM O=C([N-]c1cc(-c2cccnc2)no1)c1ccc(Br)o1 ZINC000096100813 284272346 /nfs/dbraw/zinc/27/23/46/284272346.db2.gz WQTRLFKZDIJSSO-UHFFFAOYSA-N -1 3 334.129 3.344 40 0 EGABHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(F)c2)N1 ZINC000409093795 257879918 /nfs/dbraw/zinc/87/99/18/257879918.db2.gz BQGLTNCRMKQLHE-CQSZACIVSA-N -1 3 332.297 3.325 40 0 EGABHM C[C@@H]1CCc2nc3sc(C(=O)[N-]c4nncs4)c(N)c3cc2C1 ZINC000008783359 278625432 /nfs/dbraw/zinc/62/54/32/278625432.db2.gz PHKDWXXTHKVIGU-SSDOTTSWSA-N -1 3 345.453 3.107 40 0 EGABHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000000172729 452526695 /nfs/dbraw/zinc/52/66/95/452526695.db2.gz UPLDCMALSXSXSN-UHFFFAOYSA-N -1 3 327.789 3.158 40 0 EGABHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccccc2)N1 ZINC000000356257 452569751 /nfs/dbraw/zinc/56/97/51/452569751.db2.gz FSVNSUSGKFHZNG-OAHLLOKOSA-N -1 3 328.334 3.114 40 0 EGABHM COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1F ZINC000007360586 453064664 /nfs/dbraw/zinc/06/46/64/453064664.db2.gz NGBNSNGCGKQXTH-UHFFFAOYSA-N -1 3 339.388 3.422 40 0 EGABHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000012185038 453347924 /nfs/dbraw/zinc/34/79/24/453347924.db2.gz AKCUSCCYYSZZSB-UHFFFAOYSA-N -1 3 347.418 3.429 40 0 EGABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(C)c2)c(C)c1 ZINC000013668149 453478645 /nfs/dbraw/zinc/47/86/45/453478645.db2.gz SUNDYGXKSLFZGI-UHFFFAOYSA-N -1 3 347.436 3.422 40 0 EGABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccnc2Cl)cc1C ZINC000016780346 453622356 /nfs/dbraw/zinc/62/23/56/453622356.db2.gz BICZAJMZXXXWDW-UHFFFAOYSA-N -1 3 326.805 3.161 40 0 EGABHM Cc1nccn1Cc1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000119365324 454189627 /nfs/dbraw/zinc/18/96/27/454189627.db2.gz GXPTXVCMJAJHQN-UHFFFAOYSA-N -1 3 339.370 3.015 40 0 EGABHM CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)[N-]N2CCCCC2=O)c1 ZINC000096445788 454352874 /nfs/dbraw/zinc/35/28/74/454352874.db2.gz ZAKQHUUCHUSGBC-LBPRGKRZSA-N -1 3 337.851 3.454 40 0 EGABHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1C ZINC000134445661 454544363 /nfs/dbraw/zinc/54/43/63/454544363.db2.gz JDQUYXFHOOLCHX-UHFFFAOYSA-N -1 3 344.436 3.243 40 0 EGABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(C)=O ZINC000408557569 457582293 /nfs/dbraw/zinc/58/22/93/457582293.db2.gz NUVIHXGHSPRPDQ-UHFFFAOYSA-N -1 3 348.424 3.153 40 0 EGABHM CC(C)c1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2ccccc2F)n1 ZINC000019452573 202009105 /nfs/dbraw/zinc/00/91/05/202009105.db2.gz CKHOHFFRYZKKBS-OAHLLOKOSA-N -1 3 329.375 3.010 40 0 EGABHM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1cccc2cccnc21 ZINC000076557310 202388538 /nfs/dbraw/zinc/38/85/38/202388538.db2.gz IBCMMDMYGQOKJQ-UHFFFAOYSA-N -1 3 348.811 3.181 40 0 EGABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)CCC4)c2)n1 ZINC000047317605 204336461 /nfs/dbraw/zinc/33/64/61/204336461.db2.gz DBHHFTRVXFFMSY-UHFFFAOYSA-N -1 3 345.402 3.486 40 0 EGABHM CCCCC(=O)NC(=S)Nc1cc(C)c([O-])c(Br)c1 ZINC000226243485 205121682 /nfs/dbraw/zinc/12/16/82/205121682.db2.gz JNOZVHHULNBSTN-UHFFFAOYSA-N -1 3 345.262 3.466 40 0 EGABHM Cc1ccc(C(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000227207096 257843262 /nfs/dbraw/zinc/84/32/62/257843262.db2.gz CWTHREUQVDMAER-DETPVDSQSA-N -1 3 340.345 3.494 40 0 EGABHM O=C(c1cccs1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000004487739 280217599 /nfs/dbraw/zinc/21/75/99/280217599.db2.gz PWHKJFMVDGDDMU-NOZJJQNGSA-N -1 3 332.347 3.391 40 0 EGABHM CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C\C(=O)[O-] ZINC000017060254 288318478 /nfs/dbraw/zinc/31/84/78/288318478.db2.gz JIGJEQYNOVRZDG-BMKJPTANSA-N -1 3 331.412 3.044 40 0 EGABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)OC1CCCCC1 ZINC000000411312 452581330 /nfs/dbraw/zinc/58/13/30/452581330.db2.gz DLPBPUMNWRAMMI-UHFFFAOYSA-N -1 3 334.397 3.410 40 0 EGABHM Cc1ccc([C@H](C(=O)[O-])N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000002527334 452701538 /nfs/dbraw/zinc/70/15/38/452701538.db2.gz QTTIAGDPSVQPJM-MRXNPFEDSA-N -1 3 348.443 3.110 40 0 EGABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(F)cc2)N1 ZINC000005027607 452832175 /nfs/dbraw/zinc/83/21/75/452832175.db2.gz ZNSHVZDLHXOOKZ-AWEZNQCLSA-N -1 3 332.297 3.469 40 0 EGABHM [O-]c1cc(O)ccc1-c1nc2cnccn2c1NCCc1ccccc1 ZINC000012113810 453345613 /nfs/dbraw/zinc/34/56/13/453345613.db2.gz PFQNYTMDXQSJLN-UHFFFAOYSA-N -1 3 346.390 3.462 40 0 EGABHM CCc1ccc(CN2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cc1 ZINC000012276673 453353833 /nfs/dbraw/zinc/35/38/33/453353833.db2.gz CWIAHJULCXAIFZ-UHFFFAOYSA-N -1 3 348.450 3.433 40 0 EGABHM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C)cc1[O-] ZINC000021596242 453678701 /nfs/dbraw/zinc/67/87/01/453678701.db2.gz VPFVKLGKMJXNIR-UHFFFAOYSA-N -1 3 330.409 3.144 40 0 EGABHM CC(=O)[N-]C1=NN(C(C)=O)[C@@](C)(c2cccc3ccccc32)S1 ZINC000024543584 453736944 /nfs/dbraw/zinc/73/69/44/453736944.db2.gz VVYTTZRKOYCUHI-QGZVFWFLSA-N -1 3 327.409 3.015 40 0 EGABHM Cc1cc([C@@H](O)CC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)o1 ZINC000085561830 454033529 /nfs/dbraw/zinc/03/35/29/454033529.db2.gz WTSYVWHPHLLTDL-NSHDSACASA-N -1 3 349.861 3.013 40 0 EGABHM Cc1nc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)s1 ZINC000097380101 454436304 /nfs/dbraw/zinc/43/63/04/454436304.db2.gz VLGHLJKWJSFRRC-UHFFFAOYSA-N -1 3 334.825 3.031 40 0 EGABHM Cc1csc(C2([N-]S(=O)(=O)Cc3ccccc3F)CCC2)n1 ZINC000267112333 455502824 /nfs/dbraw/zinc/50/28/24/455502824.db2.gz YSCQQXALXWLUEH-UHFFFAOYSA-N -1 3 340.445 3.089 40 0 EGABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C ZINC000408605386 457583306 /nfs/dbraw/zinc/58/33/06/457583306.db2.gz JZLCSPJNZDPPDV-UHFFFAOYSA-N -1 3 338.816 3.408 40 0 EGABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1 ZINC000409061852 457592415 /nfs/dbraw/zinc/59/24/15/457592415.db2.gz JCSMJYYCJGPPGO-ZDUSSCGKSA-N -1 3 334.725 3.449 40 0 EGABHM O=C([O-])CC1(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000521056048 459116803 /nfs/dbraw/zinc/11/68/03/459116803.db2.gz OOABSGJBNDREGL-UHFFFAOYSA-N -1 3 335.831 3.490 40 0 EGABHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCCC2)c(Cl)c1 ZINC000020491190 202045492 /nfs/dbraw/zinc/04/54/92/202045492.db2.gz XRBSWWSYMKJBSR-UHFFFAOYSA-N -1 3 344.864 3.164 40 0 EGABHM O=C([N-]c1nnc(Cc2nc3ccccc3[nH]2)s1)c1cccs1 ZINC000020533753 202047458 /nfs/dbraw/zinc/04/74/58/202047458.db2.gz SEPLMCAROMKOEA-UHFFFAOYSA-N -1 3 341.421 3.319 40 0 EGABHM O=S(=O)([N-]c1ccc(F)cc1OCCC(F)(F)F)C1CC1 ZINC000252490061 455811628 /nfs/dbraw/zinc/81/16/28/455811628.db2.gz KIEYXLXBELCNFW-UHFFFAOYSA-N -1 3 327.299 3.061 40 0 EGABHM O=Cc1cn(-c2ccccc2)nc1-c1cc2cc([O-])ccc2oc1=O ZINC000003188014 452748559 /nfs/dbraw/zinc/74/85/59/452748559.db2.gz PQAPIBDZDMDUOZ-UHFFFAOYSA-N -1 3 332.315 3.164 40 0 EGABHM COC([O-])=NC(=S)N1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000004455887 452804125 /nfs/dbraw/zinc/80/41/25/452804125.db2.gz DTHKQFFZMNSQSW-HNNXBMFYSA-N -1 3 343.452 3.284 40 0 EGABHM COC(=O)N=C([S-])N1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000004455887 452804137 /nfs/dbraw/zinc/80/41/37/452804137.db2.gz DTHKQFFZMNSQSW-HNNXBMFYSA-N -1 3 343.452 3.284 40 0 EGABHM COC(=O)[N-]C(=S)N1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000004455887 452804147 /nfs/dbraw/zinc/80/41/47/452804147.db2.gz DTHKQFFZMNSQSW-HNNXBMFYSA-N -1 3 343.452 3.284 40 0 EGABHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000007405594 453072055 /nfs/dbraw/zinc/07/20/55/453072055.db2.gz VOSGTPLDKVCYAR-UHFFFAOYSA-N -1 3 327.764 3.483 40 0 EGABHM Cc1oc(-c2cccs2)nc1COC(=O)c1ccc([O-])cc1O ZINC000011168477 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Cc1ccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1C ZINC000248158742 455691400 /nfs/dbraw/zinc/69/14/00/455691400.db2.gz NLYXGOKMTNKNPM-UHFFFAOYSA-N -1 3 339.424 3.214 40 0 EGABHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 ZINC000408612206 457584213 /nfs/dbraw/zinc/58/42/13/457584213.db2.gz XXUDKHUKXUCYRY-UHFFFAOYSA-N -1 3 332.425 3.317 40 0 EGABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1C ZINC000408603506 457584468 /nfs/dbraw/zinc/58/44/68/457584468.db2.gz KMVURJOWFLEQHQ-UHFFFAOYSA-N -1 3 346.452 3.162 40 0 EGABHM CC(C)Cc1c([O-])[nH]c2cc(I)ccc2c1=O ZINC000685937171 550456327 /nfs/dbraw/zinc/45/63/27/550456327.db2.gz KSSVIVQZFKALIE-UHFFFAOYSA-N -1 3 343.164 3.449 40 0 EGABHM COc1cc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc(Cl)c1[O-] ZINC000004453828 210193997 /nfs/dbraw/zinc/19/39/97/210193997.db2.gz PFEPBZILZVCINE-NSCUHMNNSA-N -1 3 346.692 3.327 40 0 EGABHM O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc([O-])c1)C2=O ZINC000000233262 209497860 /nfs/dbraw/zinc/49/78/60/209497860.db2.gz WHAIFVKUTLUQRF-UHFFFAOYSA-N -1 3 343.338 3.424 40 0 EGABHM Cc1cc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)oc1C ZINC000072339825 216157332 /nfs/dbraw/zinc/15/73/32/216157332.db2.gz HMEPGVARECTGAG-UHFFFAOYSA-N -1 3 336.395 3.012 40 0 EGABHM Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ncccc1[O-] ZINC000021901818 212261032 /nfs/dbraw/zinc/26/10/32/212261032.db2.gz TUPXGGIUCPECGR-UHFFFAOYSA-N -1 3 336.395 3.161 40 0 EGABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCc2ccccc21 ZINC000020030062 212095700 /nfs/dbraw/zinc/09/57/00/212095700.db2.gz ZYRZJIDHJXBKPZ-HNNXBMFYSA-N -1 3 335.400 3.190 40 0 EGABHM CCc1nnsc1C(=O)[N-]c1nc(-c2ccccc2OC)cs1 ZINC000019521917 212036957 /nfs/dbraw/zinc/03/69/57/212036957.db2.gz GEMFPOZSSSBJFR-UHFFFAOYSA-N -1 3 346.437 3.485 40 0 EGABHM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c1 ZINC000078404014 217049186 /nfs/dbraw/zinc/04/91/86/217049186.db2.gz KRDJWXNXULOWRX-NSHDSACASA-N -1 3 330.409 3.047 40 0 EGABHM [O-]c1cc(O)ccc1-c1nc2cnccn2c1NCc1ccccc1 ZINC000012113806 211292356 /nfs/dbraw/zinc/29/23/56/211292356.db2.gz KTHLQFAHGAQPAS-UHFFFAOYSA-N -1 3 332.363 3.420 40 0 EGABHM CC1(C)CC[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC000078497750 276117894 /nfs/dbraw/zinc/11/78/94/276117894.db2.gz BGPCFNZTUWRHJH-KRWDZBQOSA-N -1 3 348.402 3.113 40 0 EGABHM O=C(COC(=O)c1ccc([O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000003507911 452774356 /nfs/dbraw/zinc/77/43/56/452774356.db2.gz MLBLMDBLXMIRMY-UHFFFAOYSA-N -1 3 339.269 3.207 40 0 EGABHM COc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1N1CCCC1=O ZINC000025030508 453755913 /nfs/dbraw/zinc/75/59/13/453755913.db2.gz XQRWAHTWGUZVNG-UHFFFAOYSA-N -1 3 340.379 3.088 40 0 EGABHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cc2c(s1)CCCCC2 ZINC000032747885 453888314 /nfs/dbraw/zinc/88/83/14/453888314.db2.gz WCQJZUGWHCNTIE-UHFFFAOYSA-N -1 3 340.404 3.153 40 0 EGABHM CC(C)(C)CC(C)(C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000044249354 454093070 /nfs/dbraw/zinc/09/30/70/454093070.db2.gz MSZSLCISCOVTAN-UHFFFAOYSA-N -1 3 326.462 3.003 40 0 EGABHM O=C(/C=C/c1csc(Br)c1)[N-]O[C@@H]1CCCCO1 ZINC000096407528 454325691 /nfs/dbraw/zinc/32/56/91/454325691.db2.gz OZOLVOSSFADASU-ZYOFXKKJSA-N -1 3 332.219 3.098 40 0 EGABHM O=S(=O)([N-]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000107431016 454757142 /nfs/dbraw/zinc/75/71/42/454757142.db2.gz JEYHDADLHXSGOC-ZDUSSCGKSA-N -1 3 346.235 3.005 40 0 EGABHM Cc1cc(-c2cncc(C(=O)[O-])c2)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000257293340 455884242 /nfs/dbraw/zinc/88/42/42/455884242.db2.gz QPBVDTPNQGXBEM-AWEZNQCLSA-N -1 3 340.427 3.133 40 0 EGABHM c1nc(CN2CCCC[C@H]2c2csc([N-]c3cnccn3)n2)c[nH]1 ZINC000257331590 455893165 /nfs/dbraw/zinc/89/31/65/455893165.db2.gz XTNHDBVLZVEHMQ-AWEZNQCLSA-N -1 3 341.444 3.127 40 0 EGABHM c1ncc(CN2CCCC[C@H]2c2csc([N-]c3cnccn3)n2)[nH]1 ZINC000257331590 455893166 /nfs/dbraw/zinc/89/31/66/455893166.db2.gz XTNHDBVLZVEHMQ-AWEZNQCLSA-N -1 3 341.444 3.127 40 0 EGABHM O=S(=O)([N-]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000333646021 456244837 /nfs/dbraw/zinc/24/48/37/456244837.db2.gz DATWNTLZWQUDSD-LLVKDONJSA-N -1 3 347.839 3.107 40 0 EGABHM Cc1ccc(C(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)cc1 ZINC000409174715 457594973 /nfs/dbraw/zinc/59/49/73/457594973.db2.gz UJLZMBNFNDQAIA-FFSVYQOJSA-N -1 3 340.345 3.494 40 0 EGABHM Cc1cccc(C(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)c1 ZINC000409180115 457596178 /nfs/dbraw/zinc/59/61/78/457596178.db2.gz UHVQDVZGPAICST-KFNAQCHYSA-N -1 3 340.345 3.494 40 0 EGABHM CO[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)CC[C@@H]1Cc1ccccc1 ZINC000585280156 459832793 /nfs/dbraw/zinc/83/27/93/459832793.db2.gz YLQIKETVPALCQT-UYAOXDASSA-N -1 3 339.435 3.464 40 0 EGABHM Cc1ccc(C(=O)NCc2ccc(Br)s2)c([O-])c1 ZINC000031287365 212730499 /nfs/dbraw/zinc/73/04/99/212730499.db2.gz FCGLRBKLBJRTDD-UHFFFAOYSA-N -1 3 326.215 3.455 40 0 EGABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2 ZINC000020034126 212095191 /nfs/dbraw/zinc/09/51/91/212095191.db2.gz COBBJWJPCONBFQ-HCKVZZMMSA-N -1 3 326.318 3.186 40 0 EGABHM CN(C)C(=O)c1cccc(CO[N-]C(=O)CCC2CCCCC2)c1 ZINC000079311332 217207645 /nfs/dbraw/zinc/20/76/45/217207645.db2.gz PIGMASWGYMHYBX-UHFFFAOYSA-N -1 3 332.444 3.297 40 0 EGABHM O=c1cc(-c2ccccn2)nc([C@@H]2CCCN2C[C@H]2CC=CCC2)[n-]1 ZINC000019402499 275043322 /nfs/dbraw/zinc/04/33/22/275043322.db2.gz NIUJZZGJGGKOQR-YJBOKZPZSA-N -1 3 336.439 3.325 40 0 EGABHM O=S(=O)([N-]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000107431014 454756018 /nfs/dbraw/zinc/75/60/18/454756018.db2.gz JEYHDADLHXSGOC-CYBMUJFWSA-N -1 3 346.235 3.005 40 0 EGABHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N(C)C)cc2)N1 ZINC000000330976 452564916 /nfs/dbraw/zinc/56/49/16/452564916.db2.gz XFIALKIPERDTNJ-OAHLLOKOSA-N -1 3 343.349 3.006 40 0 EGABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)Nc1ccccc1 ZINC000005999387 452915851 /nfs/dbraw/zinc/91/58/51/452915851.db2.gz DOIIVSHSJAREEZ-UHFFFAOYSA-N -1 3 340.408 3.115 40 0 EGABHM O=c1cc(-c2ccccn2)nc(C2CCN(Cc3ccncc3)CC2)[n-]1 ZINC000013267962 453456453 /nfs/dbraw/zinc/45/64/53/453456453.db2.gz OEVYGVWVENNOOI-UHFFFAOYSA-N -1 3 347.422 3.019 40 0 EGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2)c(Cl)c1 ZINC000030753785 453837834 /nfs/dbraw/zinc/83/78/34/453837834.db2.gz RNKNSBVCBCDAMH-UHFFFAOYSA-N -1 3 342.779 3.103 40 0 EGABHM CC(C)(C)c1nnc([C@H]2CCN(Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000049170605 454537212 /nfs/dbraw/zinc/53/72/12/454537212.db2.gz MXMICWGGPPCTKW-AWEZNQCLSA-N -1 3 329.400 3.055 40 0 biogenic,in-vitro EGABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)CC ZINC000408698042 457585213 /nfs/dbraw/zinc/58/52/13/457585213.db2.gz MZWUEENJRVHXPT-UHFFFAOYSA-N -1 3 348.424 3.235 40 0 EGABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2F)N1 ZINC000408739445 457587592 /nfs/dbraw/zinc/58/75/92/457587592.db2.gz WGCCCSUJKFNDHS-CQSZACIVSA-N -1 3 332.297 3.469 40 0 EGABHM COc1cccc(OC)c1C(=O)[N-]c1nnc(-c2ccccc2)o1 ZINC000004330310 210173380 /nfs/dbraw/zinc/17/33/80/210173380.db2.gz BZUHFNDREVSBJA-UHFFFAOYSA-N -1 3 325.324 3.006 40 0 EGABHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(C(F)(F)F)CC2)c1 ZINC000565426699 316323183 /nfs/dbraw/zinc/32/31/83/316323183.db2.gz MNCLCHSAMKWVQC-AWEZNQCLSA-N -1 3 347.333 3.104 40 0 EGABHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000156963722 323222275 /nfs/dbraw/zinc/22/22/75/323222275.db2.gz ZUIBLFKUMMELDY-UHFFFAOYSA-N -1 3 348.399 3.128 40 0 EGABHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(C)cc2)N1 ZINC000000274574 452551600 /nfs/dbraw/zinc/55/16/00/452551600.db2.gz SGWSBTALAVVVAX-HNNXBMFYSA-N -1 3 328.334 3.177 40 0 EGABHM O=C([O-])C1CCN(Cc2c(-c3cccs3)nc3ccccn32)CC1 ZINC000006740882 452979747 /nfs/dbraw/zinc/97/97/47/452979747.db2.gz ICPBUQZTSBEIBN-UHFFFAOYSA-N -1 3 341.436 3.359 40 0 EGABHM Cc1ccc(C(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000013465261 453464503 /nfs/dbraw/zinc/46/45/03/453464503.db2.gz CWTHREUQVDMAER-NORZTCDRSA-N -1 3 340.345 3.494 40 0 EGABHM CCCCS(=O)(=O)[N-]c1c(C)nn(Cc2ccccc2C)c1C ZINC000014222457 453521186 /nfs/dbraw/zinc/52/11/86/453521186.db2.gz CZRUOXRMPKLTLF-UHFFFAOYSA-N -1 3 335.473 3.398 40 0 EGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(F)c2)c(Cl)c1 ZINC000030850209 453839521 /nfs/dbraw/zinc/83/95/21/453839521.db2.gz FFRJLRAHLBVAEV-UHFFFAOYSA-N -1 3 342.779 3.103 40 0 EGABHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000192718087 455676949 /nfs/dbraw/zinc/67/69/49/455676949.db2.gz MQFGSCRLCGLBOU-CQSZACIVSA-N -1 3 345.418 3.372 40 0 EGABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(F)c2)N1 ZINC000409101044 457594072 /nfs/dbraw/zinc/59/40/72/457594072.db2.gz OYAMISLXXIVKGS-CQSZACIVSA-N -1 3 332.297 3.469 40 0 EGABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(F)cc1)[C@@]2([O-])C(F)(F)F ZINC000409176848 457594499 /nfs/dbraw/zinc/59/44/99/457594499.db2.gz ZHVLMSUKVFBAIB-BCQZVRRWSA-N -1 3 344.308 3.325 40 0 EGABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sncc3c2)cc1 ZINC000190155019 528589631 /nfs/dbraw/zinc/58/96/31/528589631.db2.gz ODDOJZMLRJUVBF-UHFFFAOYSA-N -1 3 334.422 3.496 40 0 EGABHM CC(C)C(=O)N1CCC[C@@H](c2cnc([N-]c3nccs3)cn2)C1 ZINC000072361928 216168993 /nfs/dbraw/zinc/16/89/93/216168993.db2.gz IZMGMFZITDKIKQ-GFCCVEGCSA-N -1 3 331.445 3.039 40 0 EGABHM Cc1n[n-]nc1C(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 ZINC000193056218 240000080 /nfs/dbraw/zinc/00/00/80/240000080.db2.gz BVMDECGDORAIFQ-UHFFFAOYSA-N -1 3 347.831 3.375 40 0 EGABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)c1 ZINC000020482697 212136867 /nfs/dbraw/zinc/13/68/67/212136867.db2.gz VYAOVXAHDWSLQA-UHFFFAOYSA-N -1 3 342.779 3.103 40 0 EGABHM Cc1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1 ZINC000020493403 212139657 /nfs/dbraw/zinc/13/96/57/212139657.db2.gz YFMHDUIMJXCPRP-UHFFFAOYSA-N -1 3 338.816 3.272 40 0 EGABHM O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019406625 212026168 /nfs/dbraw/zinc/02/61/68/212026168.db2.gz LHAAUIGAYHBXSF-HNNXBMFYSA-N -1 3 343.452 3.352 40 0 EGABHM O=C(c1cccs1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000004487741 280217411 /nfs/dbraw/zinc/21/74/11/280217411.db2.gz PWHKJFMVDGDDMU-TVQRCGJNSA-N -1 3 332.347 3.391 40 0 EGABHM Cc1ccc2ncc(C[N-]c3nnc([C@H]4Cc5ccccc5O4)o3)n2c1 ZINC000097231701 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COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000225137582 456074086 /nfs/dbraw/zinc/07/40/86/456074086.db2.gz PPHHERBATALVMW-LBPRGKRZSA-N -1 3 339.844 3.431 40 0 EGABHM Cc1ccc(C[C@H]2CCN(Cc3ccccc3C(=O)[O-])C[C@@H]2O)cc1 ZINC000585278880 459832564 /nfs/dbraw/zinc/83/25/64/459832564.db2.gz IBPDAXMMRVDIOF-XLIONFOSSA-N -1 3 339.435 3.119 40 0 EGABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C ZINC000055548780 214329687 /nfs/dbraw/zinc/32/96/87/214329687.db2.gz TVYJWABFILAMHR-UHFFFAOYSA-N -1 3 348.424 3.071 40 0 EGABHM CN1CCN(C2=Nc3cc(Cl)c([O-])cc3Nc3ccccc32)CC1 ZINC000067665016 215177793 /nfs/dbraw/zinc/17/77/93/215177793.db2.gz OGZLSMWTACJBSH-UHFFFAOYSA-N -1 3 342.830 3.428 40 0 in-vitro EGABHM COc1ccc(-c2nn3c(nnc3-c3cc(C(C)C)n[n-]3)s2)cc1 ZINC000022502269 212302295 /nfs/dbraw/zinc/30/22/95/212302295.db2.gz NSIYODSXVDHLPW-UHFFFAOYSA-N -1 3 340.412 3.375 40 0 EGABHM O=C([O-])[C@@H]1CCCN(Cc2c(-c3cccs3)nc3ccccn32)C1 ZINC000012357006 211354220 /nfs/dbraw/zinc/35/42/20/211354220.db2.gz 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/nfs/dbraw/zinc/36/54/95/454365495.db2.gz YKUOJCSTSUPDLJ-UHFFFAOYSA-N -1 3 329.332 3.493 40 0 EGABHM CCOc1cc(-c2cc(-c3ccc(O)cc3[O-])nn2C)ccc1O ZINC000257291996 455883606 /nfs/dbraw/zinc/88/36/06/455883606.db2.gz QJNFILGGZAQGFA-UHFFFAOYSA-N -1 3 326.352 3.270 40 0 EGABHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188736665 456123983 /nfs/dbraw/zinc/12/39/83/456123983.db2.gz TZYYIURVKKXRMI-DOTOQJQBSA-N -1 3 335.425 3.034 40 0 EGABHM O=C1OC(c2ccco2)=N/C1=C/c1cc(Br)ccc1[O-] ZINC000408846204 457588937 /nfs/dbraw/zinc/58/89/37/457588937.db2.gz RCZZJWSZBBCCPA-JXMROGBWSA-N -1 3 334.125 3.092 40 0 EGABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)C1CC1)N2 ZINC000409094638 457593387 /nfs/dbraw/zinc/59/33/87/457593387.db2.gz FDZTYEMOEUBOQL-JRPNMDOOSA-N -1 3 332.366 3.308 40 0 EGABHM Cc1ccc(C(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)cc1 ZINC000409174717 457595072 /nfs/dbraw/zinc/59/50/72/457595072.db2.gz UJLZMBNFNDQAIA-KFNAQCHYSA-N -1 3 340.345 3.494 40 0 EGABHM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c1 ZINC000585091275 459822300 /nfs/dbraw/zinc/82/23/00/459822300.db2.gz NVHYLCCWJXUNCZ-UHFFFAOYSA-N -1 3 328.384 3.255 40 0 EGABHM CO[C@H]1CN(Cc2cccc(C(=O)[O-])c2)CC[C@@H]1Cc1ccccc1 ZINC000585280154 459832403 /nfs/dbraw/zinc/83/24/03/459832403.db2.gz YLQIKETVPALCQT-QUCCMNQESA-N -1 3 339.435 3.464 40 0 EGABHM COCCN1CCC(c2cccc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000257274998 244389502 /nfs/dbraw/zinc/38/95/02/244389502.db2.gz NNORSFUAMCOBIZ-UHFFFAOYSA-N -1 3 340.423 3.273 40 0 EGABHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000078234649 217032886 /nfs/dbraw/zinc/03/28/86/217032886.db2.gz KBEOLSQIFLQZSU-UHFFFAOYSA-N -1 3 346.452 3.395 40 0 EGABHM Cc1ccc(C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)cc1F ZINC000009746305 211120828 /nfs/dbraw/zinc/12/08/28/211120828.db2.gz FDHGSDCEWQZPDA-UHFFFAOYSA-N -1 3 334.347 3.215 40 0 EGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)c1C ZINC000117227302 221038393 /nfs/dbraw/zinc/03/83/93/221038393.db2.gz DQDSSRBPIBTXEJ-UHFFFAOYSA-N -1 3 327.352 3.391 40 0 EGABHM CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409358231 257872337 /nfs/dbraw/zinc/87/23/37/257872337.db2.gz KUTKIAWNNXIMIN-AWEZNQCLSA-N -1 3 346.374 3.169 40 0 EGABHM Cc1ccc(CSCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000007688724 257864143 /nfs/dbraw/zinc/86/41/43/257864143.db2.gz XZHFMJHKFJKOTH-UHFFFAOYSA-N -1 3 327.496 3.268 40 0 EGABHM O=C(c1ccc(F)cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000280689 280186090 /nfs/dbraw/zinc/18/60/90/280186090.db2.gz AQFGXAZKLYFUPW-SWLSCSKDSA-N -1 3 344.308 3.469 40 0 EGABHM COc1cccc(C(=O)N2NC(CC(C)C)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000000356238 452570059 /nfs/dbraw/zinc/57/00/59/452570059.db2.gz RDKIKJKPNYPMBA-OAHLLOKOSA-N -1 3 344.333 3.194 40 0 EGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000006316850 452935508 /nfs/dbraw/zinc/93/55/08/452935508.db2.gz IUWHWYUEHLUMLS-UHFFFAOYSA-N -1 3 329.324 3.097 40 0 EGABHM CC(=O)Nc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000006416079 452943651 /nfs/dbraw/zinc/94/36/51/452943651.db2.gz VBPPIQNVXNBHMU-UHFFFAOYSA-N -1 3 332.425 3.371 40 0 EGABHM O=C([N-]c1nn2c(nnc2-c2cccs2)s1)c1cccs1 ZINC000006818076 452994537 /nfs/dbraw/zinc/99/45/37/452994537.db2.gz GPKXSADKAMWLKW-UHFFFAOYSA-N -1 3 333.423 3.228 40 0 EGABHM Cc1ccc(CN2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cc1 ZINC000012666975 453391401 /nfs/dbraw/zinc/39/14/01/453391401.db2.gz ZANYUCKMCMOVKR-UHFFFAOYSA-N -1 3 334.423 3.179 40 0 EGABHM CCCCS(=O)(=O)[N-]c1c(C)nn(Cc2ccccc2F)c1C ZINC000014233721 453522579 /nfs/dbraw/zinc/52/25/79/453522579.db2.gz WDGMGQGLQMPNKI-UHFFFAOYSA-N -1 3 339.436 3.229 40 0 EGABHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(-n2cccc2)cc1 ZINC000028233139 453822667 /nfs/dbraw/zinc/82/26/67/453822667.db2.gz NWBYSSRMMBOBNR-GFCCVEGCSA-N -1 3 345.424 3.122 40 0 EGABHM Cc1ccc([C@@H](C(=O)[O-])N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000095635369 454232155 /nfs/dbraw/zinc/23/21/55/454232155.db2.gz QTTIAGDPSVQPJM-INIZCTEOSA-N -1 3 348.443 3.110 40 0 EGABHM Cc1ccc([C@H](C(=O)[O-])N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000095635331 454232321 /nfs/dbraw/zinc/23/23/21/454232321.db2.gz BUIHRNFDFXMPCV-JKSUJKDBSA-N -1 3 348.443 3.110 40 0 EGABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409069275 457591852 /nfs/dbraw/zinc/59/18/52/457591852.db2.gz MFTAEUYWUXLELS-LYSGOOTNSA-N -1 3 344.308 3.325 40 0 EGABHM Cc1cccc(C(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000409062554 457591941 /nfs/dbraw/zinc/59/19/41/457591941.db2.gz WRFHONGOCXGUME-NORZTCDRSA-N -1 3 340.345 3.494 40 0 EGABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(F)cc1)[C@]2([O-])C(F)(F)F ZINC000409176849 457594451 /nfs/dbraw/zinc/59/44/51/457594451.db2.gz ZHVLMSUKVFBAIB-DDHOLCJHSA-N -1 3 344.308 3.325 40 0 EGABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(F)cc1)[C@@]2([O-])C(F)(F)F ZINC000409176850 457594478 /nfs/dbraw/zinc/59/44/78/457594478.db2.gz ZHVLMSUKVFBAIB-LYSGOOTNSA-N -1 3 344.308 3.325 40 0 EGABHM CC(C)n1[n-]ccc1=NC(=O)[C@H](C)Sc1ncnc2ccsc21 ZINC000102853465 219235662 /nfs/dbraw/zinc/23/56/62/219235662.db2.gz ZFPRCGNXMMAZOC-XDTFECJCSA-N -1 3 347.469 3.010 40 0 EGABHM O=c1[n-]c(-c2ccccc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072389390 216190184 /nfs/dbraw/zinc/19/01/84/216190184.db2.gz ROKDPRDGDYNGPM-UHFFFAOYSA-N -1 3 335.382 3.134 40 0 EGABHM CCCC(=O)NC(=S)Nc1cc(C)c([O-])c(Br)c1 ZINC000226243478 242091512 /nfs/dbraw/zinc/09/15/12/242091512.db2.gz ZJPPOOXSQWUKTQ-UHFFFAOYSA-N -1 3 331.235 3.076 40 0 EGABHM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)c1 ZINC000020492448 212139052 /nfs/dbraw/zinc/13/90/52/212139052.db2.gz BPRVIQMJXVTRTB-AWEZNQCLSA-N -1 3 346.452 3.166 40 0 EGABHM O=S(=O)([N-]c1c(F)cccc1F)c1cnn(Cc2ccccc2)c1 ZINC000079321179 217209047 /nfs/dbraw/zinc/20/90/47/217209047.db2.gz GBHDZOYAVMBZFH-UHFFFAOYSA-N -1 3 349.362 3.010 40 0 EGABHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1CC1CCCCC1 ZINC000095351175 218285589 /nfs/dbraw/zinc/28/55/89/218285589.db2.gz BJWBNBSMQWQSJY-HNNXBMFYSA-N -1 3 340.423 3.145 40 0 EGABHM 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CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000078234986 217032383 /nfs/dbraw/zinc/03/23/83/217032383.db2.gz ONEVUGRGKRLKEA-UHFFFAOYSA-N -1 3 332.425 3.087 40 0 EGABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3)cc1Cl ZINC000078403680 217049362 /nfs/dbraw/zinc/04/93/62/217049362.db2.gz INXPKAPTQSSCPN-UHFFFAOYSA-N -1 3 338.816 3.117 40 0 EGABHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(C)cc2)N1 ZINC000000274579 452552962 /nfs/dbraw/zinc/55/29/62/452552962.db2.gz SGWSBTALAVVVAX-OAHLLOKOSA-N -1 3 328.334 3.177 40 0 EGABHM Cc1cccc(C(=O)N2NC(CC(C)C)=C[C@]2(O)C(F)(F)F)c1[O-] ZINC000000356265 452570660 /nfs/dbraw/zinc/57/06/60/452570660.db2.gz RMZPKOMLEWDDEU-HNNXBMFYSA-N -1 3 344.333 3.200 40 0 EGABHM COc1ccc(C(=O)N2NC(CC(C)C)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000000356231 452570814 /nfs/dbraw/zinc/57/08/14/452570814.db2.gz COCIEVXEGMZKTL-OAHLLOKOSA-N -1 3 344.333 3.194 40 0 EGABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc21 ZINC000000428754 452588853 /nfs/dbraw/zinc/58/88/53/452588853.db2.gz LSFCJXGHMVQDHC-UHFFFAOYSA-N -1 3 344.436 3.095 40 0 EGABHM Cc1ccc(CC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000000978911 452639408 /nfs/dbraw/zinc/63/94/08/452639408.db2.gz INOBVGJAHJEWPW-BBRMVZONSA-N -1 3 340.345 3.177 40 0 EGABHM Cc1ccc(-c2nnc3sc([N-]C(=O)c4ccco4)nn32)cc1 ZINC000006818082 452993434 /nfs/dbraw/zinc/99/34/34/452993434.db2.gz LTCNFVNGKKQIHA-UHFFFAOYSA-N -1 3 325.353 3.007 40 0 EGABHM CCCCS(=O)(=O)[N-]c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000014224712 453520755 /nfs/dbraw/zinc/52/07/55/453520755.db2.gz VAKBKRJJJUZJEE-UHFFFAOYSA-N -1 3 335.473 3.398 40 0 EGABHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c(C)c1C ZINC000074935894 454661868 /nfs/dbraw/zinc/66/18/68/454661868.db2.gz XCOPWIQTBLWKEL-UHFFFAOYSA-N -1 3 348.424 3.071 40 0 EGABHM Cc1cnc([C@H]2CCCN(Cc3ccc(OCC(=O)[O-])cc3)C2)s1 ZINC000257290221 455884032 /nfs/dbraw/zinc/88/40/32/455884032.db2.gz QCBOKRHPIUECHQ-HNNXBMFYSA-N -1 3 346.452 3.295 40 0 EGABHM CC(C)(C)c1ccccc1OCC[N-]S(=O)(=O)c1cccs1 ZINC000223733202 456059642 /nfs/dbraw/zinc/05/96/42/456059642.db2.gz RSNKEWGHKYLEST-UHFFFAOYSA-N -1 3 339.482 3.403 40 0 EGABHM CCOC(=O)c1cc(OC)c(F)cc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000225649945 456101905 /nfs/dbraw/zinc/10/19/05/456101905.db2.gz VZUDOKFGFKKAFM-UHFFFAOYSA-N -1 3 348.330 3.129 40 0 EGABHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188736733 456123693 /nfs/dbraw/zinc/12/36/93/456123693.db2.gz TZYYIURVKKXRMI-WBVHZDCISA-N -1 3 335.425 3.034 40 0 EGABHM O=C([O-])c1coc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000652386742 461168068 /nfs/dbraw/zinc/16/80/68/461168068.db2.gz HFKTZCSEPWFZDJ-LBPRGKRZSA-N -1 3 326.352 3.499 40 0 EGABHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000020483250 212136393 /nfs/dbraw/zinc/13/63/93/212136393.db2.gz UMWXNWQLJHHVAO-UHFFFAOYSA-N -1 3 338.816 3.272 40 0 EGABHM COc1cccc(CNc2nc(-c3sc(C)nc3C)cc(=O)[n-]2)c1 ZINC000019560627 212042874 /nfs/dbraw/zinc/04/28/74/212042874.db2.gz AXZGTBBOLPCNIS-UHFFFAOYSA-N -1 3 342.424 3.131 40 0 EGABHM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c1 ZINC000078404012 217048869 /nfs/dbraw/zinc/04/88/69/217048869.db2.gz KRDJWXNXULOWRX-LLVKDONJSA-N -1 3 330.409 3.047 40 0 EGABHM Cc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)c1C ZINC000091690379 218048223 /nfs/dbraw/zinc/04/82/23/218048223.db2.gz YPSAINAREUUERV-IBGZPJMESA-N -1 3 342.414 3.390 40 0 EGABHM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)cc1C ZINC000010274224 211159821 /nfs/dbraw/zinc/15/98/21/211159821.db2.gz KYXDGGAELIPKLM-UHFFFAOYSA-N -1 3 342.420 3.254 40 0 EGABHM Cc1noc(-c2ccc(O)cc2[O-])c1-c1ccc2c(c1)OCCO2 ZINC000000519077 452611725 /nfs/dbraw/zinc/61/17/25/452611725.db2.gz JUVYRYASMYFMMX-UHFFFAOYSA-N -1 3 325.320 3.499 40 0 biogenic EGABHM O=S(=O)([N-]c1ccccc1Br)c1ccccc1F ZINC000006315648 452932692 /nfs/dbraw/zinc/93/26/92/452932692.db2.gz FZOKKBPMBVUTDO-UHFFFAOYSA-N -1 3 330.178 3.389 40 0 EGABHM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000007927793 453135953 /nfs/dbraw/zinc/13/59/53/453135953.db2.gz YXUALSJOIXUCAW-LBPRGKRZSA-N -1 3 344.436 3.496 40 0 EGABHM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000047219445 454342513 /nfs/dbraw/zinc/34/25/13/454342513.db2.gz SGOXKJGUJQCWPD-UHFFFAOYSA-N -1 3 332.425 3.434 40 0 EGABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c(C)c1 ZINC000047454244 454374059 /nfs/dbraw/zinc/37/40/59/454374059.db2.gz LKOYAVWHIXAPRZ-UHFFFAOYSA-N -1 3 348.424 3.071 40 0 EGABHM CCc1onc(C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000185623176 455586385 /nfs/dbraw/zinc/58/63/85/455586385.db2.gz HAYLRAJFKMFDNI-UHFFFAOYSA-N -1 3 325.162 3.266 40 0 EGABHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC000027530732 212562000 /nfs/dbraw/zinc/56/20/00/212562000.db2.gz TWQAKEZGYVOBJM-HNNXBMFYSA-N -1 3 337.416 3.134 40 0 EGABHM CC(C)(C)c1cc([N-]C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)on1 ZINC000023326396 212369110 /nfs/dbraw/zinc/36/91/10/212369110.db2.gz ZGRQLHGUVVSCMV-ZDUSSCGKSA-N -1 3 349.214 3.038 40 0 EGABHM c1c[nH]c(CN2CCCC[C@@H]2c2csc([N-]c3cnccn3)n2)n1 ZINC000257238126 244235932 /nfs/dbraw/zinc/23/59/32/244235932.db2.gz HJRNHTOBZZNFPJ-CYBMUJFWSA-N -1 3 341.444 3.127 40 0 EGABHM Cc1nc([C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)cc(=O)[n-]1 ZINC000019285220 212010828 /nfs/dbraw/zinc/01/08/28/212010828.db2.gz NPLGFLKLKSMENZ-GFCCVEGCSA-N -1 3 338.238 3.375 40 0 EGABHM Cc1nc([C@H]2CCN(Cc3cccc(Cl)c3Cl)C2)cc(=O)[n-]1 ZINC000019285260 212009876 /nfs/dbraw/zinc/00/98/76/212009876.db2.gz AGWBORIBHBBASL-NSHDSACASA-N -1 3 338.238 3.375 40 0 EGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000011613821 211226058 /nfs/dbraw/zinc/22/60/58/211226058.db2.gz ZJKMNKQOXAYMLY-UHFFFAOYSA-N -1 3 346.235 3.481 40 0 EGABHM COc1cccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1OC(F)F ZINC000009647840 211112772 /nfs/dbraw/zinc/11/27/72/211112772.db2.gz XZRKTXFCSAMXHL-LCYFTJDESA-N -1 3 345.301 3.107 40 0 EGABHM COc1ccccc1-n1c(COc2ccc(C)cc2)n[n-]c1=S ZINC000040163728 295345009 /nfs/dbraw/zinc/34/50/09/295345009.db2.gz YZJCTTIZMIGYQX-UHFFFAOYSA-N -1 3 327.409 3.452 40 0 EGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000006553251 452953803 /nfs/dbraw/zinc/95/38/03/452953803.db2.gz RQFHGGKNUNXWEH-UHFFFAOYSA-N -1 3 346.452 3.486 40 0 EGABHM CC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000009064189 453241988 /nfs/dbraw/zinc/24/19/88/453241988.db2.gz BQUXIGFMVFZJGR-UHFFFAOYSA-N -1 3 327.365 3.033 40 0 EGABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1N1CCCC1=O ZINC000044845089 454122049 /nfs/dbraw/zinc/12/20/49/454122049.db2.gz ABCBQQLEZBTFCM-UHFFFAOYSA-N -1 3 348.399 3.062 40 0 EGABHM O=C([O-])c1cc2c(nc1-c1ccoc1)CCN(Cc1ccoc1)CC2 ZINC000096189582 454301263 /nfs/dbraw/zinc/30/12/63/454301263.db2.gz MKPQNNADLRFHOO-UHFFFAOYSA-N -1 3 338.363 3.234 40 0 EGABHM CCc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1OC ZINC000113970299 454940999 /nfs/dbraw/zinc/94/09/99/454940999.db2.gz RAVSBDCFLQXJHQ-UHFFFAOYSA-N -1 3 327.352 3.337 40 0 EGABHM Cc1ccc(CN2CCc3c(nc(N4CCCC[C@H]4C)[n-]c3=O)C2)o1 ZINC000257275392 455880815 /nfs/dbraw/zinc/88/08/15/455880815.db2.gz NPFGYBTZONWDTH-CYBMUJFWSA-N -1 3 342.443 3.021 40 0 EGABHM CCc1onc(C)c1NC(=O)c1cc([O-])cc(OCC(F)(F)F)c1 ZINC000195546627 455982118 /nfs/dbraw/zinc/98/21/18/455982118.db2.gz FMHCKYQMXNBTPN-UHFFFAOYSA-N -1 3 344.289 3.444 40 0 EGABHM CCc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000198778102 456012356 /nfs/dbraw/zinc/01/23/56/456012356.db2.gz IJIPVCUMHWFNIB-ZDUSSCGKSA-N -1 3 346.452 3.112 40 0 EGABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 ZINC000224591693 456067527 /nfs/dbraw/zinc/06/75/27/456067527.db2.gz OGKCYIBYLBVOAN-DLBZAZTESA-N -1 3 336.420 3.292 40 0 EGABHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188736690 456123804 /nfs/dbraw/zinc/12/38/04/456123804.db2.gz TZYYIURVKKXRMI-RDJZCZTQSA-N -1 3 335.425 3.034 40 0 EGABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)Cc1ccccc1)N2 ZINC000409056337 457592234 /nfs/dbraw/zinc/59/22/34/457592234.db2.gz CWJIWWHFANWBMX-FFSVYQOJSA-N -1 3 340.345 3.114 40 0 EGABHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccsc2C(F)F)n1 ZINC000823776069 1320205808 /nfs/dbraw/zinc/20/58/08/1320205808.db2.gz FKLXVTDCBBTRQV-UHFFFAOYSA-N -1 3 327.356 3.155 40 0 EGABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C ZINC000055555162 214329947 /nfs/dbraw/zinc/32/99/47/214329947.db2.gz BDIVHICBIYEQPH-UHFFFAOYSA-N -1 3 333.409 3.315 40 0 EGABHM COc1ccccc1CNc1nc(-c2cc(C(C)C)[nH]n2)cc(=O)[n-]1 ZINC000100222374 219094845 /nfs/dbraw/zinc/09/48/45/219094845.db2.gz IONPFGUYOLGRIM-UHFFFAOYSA-N -1 3 339.399 3.316 40 0 EGABHM c1sc(-c2ccccn2)nc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000181798185 234325119 /nfs/dbraw/zinc/32/51/19/234325119.db2.gz REDRASVETYRPEG-LBPRGKRZSA-N -1 3 329.385 3.052 40 0 EGABHM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCC(=O)[O-])CC2 ZINC000039281147 213233410 /nfs/dbraw/zinc/23/34/10/213233410.db2.gz ONKWHSFOTCJLTD-FQEVSTJZSA-N -1 3 341.407 3.126 40 0 EGABHM Cc1nc(C[C@H](NC(=O)C2CCCCC2)c2ccccc2)cc(=O)[n-]1 ZINC000019285404 212009841 /nfs/dbraw/zinc/00/98/41/212009841.db2.gz MDGBNFZBCVWVEE-SFHVURJKSA-N -1 3 339.439 3.059 40 0 EGABHM CC(C)n1cccc1CN1CCc2nc(-c3ccncc3)[n-]c(=O)c2C1 ZINC000012121895 211299080 /nfs/dbraw/zinc/29/90/80/211299080.db2.gz WZVJQCXQQCJSLE-UHFFFAOYSA-N -1 3 349.438 3.185 40 0 EGABHM Cc1cccc(C(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)c1 ZINC000409062553 257880822 /nfs/dbraw/zinc/88/08/22/257880822.db2.gz WRFHONGOCXGUME-GHJWDPDVSA-N -1 3 340.345 3.494 40 0 EGABHM O=C(COC(=O)c1ccc([O-])cc1O)C12CC3CC(CC(C3)C1)C2 ZINC000005103638 258051476 /nfs/dbraw/zinc/05/14/76/258051476.db2.gz RXNVTLAZNKMYTB-UHFFFAOYSA-N -1 3 330.380 3.040 40 0 EGABHM Cc1ccsc1CN1CCc2nc3cc(C4CC4)[n-]n3c(=O)c2C1 ZINC000012667039 453391029 /nfs/dbraw/zinc/39/10/29/453391029.db2.gz GMYNAUCXSUYTIZ-UHFFFAOYSA-N -1 3 340.452 3.241 40 0 EGABHM CC(C)c1ccc(NC(=N)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000013634035 453477026 /nfs/dbraw/zinc/47/70/26/453477026.db2.gz OTUBIFOJWXQADH-UHFFFAOYSA-N -1 3 325.416 3.231 40 0 EGABHM Cc1ccc(C(=O)NCCc2ccc(Br)s2)c([O-])c1 ZINC000025877209 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346.745 3.278 40 0 EGABHM O=S(=O)([N-]CCc1ccccc1F)c1ccc(Cl)cc1F ZINC000008166907 453171165 /nfs/dbraw/zinc/17/11/65/453171165.db2.gz YLTUZUWGROHVQW-UHFFFAOYSA-N -1 3 331.771 3.139 40 0 EGABHM COc1cccc(NC(=O)c2cnc3cc(F)cc(F)c3c2[O-])c1 ZINC000032606778 453880007 /nfs/dbraw/zinc/88/00/07/453880007.db2.gz KSSXHOGUWSYQRI-UHFFFAOYSA-N -1 3 330.290 3.067 40 0 EGABHM CCOc1cc(C(=O)CCC(=O)NCc2ccc(F)cc2)ccc1[O-] ZINC000032963807 453898925 /nfs/dbraw/zinc/89/89/25/453898925.db2.gz RCWDAOUONZGCAV-UHFFFAOYSA-N -1 3 345.370 3.209 40 0 EGABHM Cc1cc([C@H](O)CC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)o1 ZINC000085561825 454033700 /nfs/dbraw/zinc/03/37/00/454033700.db2.gz WTSYVWHPHLLTDL-LLVKDONJSA-N -1 3 349.861 3.013 40 0 EGABHM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000095429616 454210759 /nfs/dbraw/zinc/21/07/59/454210759.db2.gz DRABKUDLCWSHOM-LBPRGKRZSA-N -1 3 336.366 3.427 40 0 EGABHM C[C@H](C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1)n1ccnc1 ZINC000096449122 454355610 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COc1ccccc1/C=C\CN1CC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000012337548 211351326 /nfs/dbraw/zinc/35/13/26/211351326.db2.gz FXLNACANJOYSPP-WRLNGNIRSA-N -1 3 325.412 3.002 40 0 EGABHM Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])o1 ZINC000004867129 210307224 /nfs/dbraw/zinc/30/72/24/210307224.db2.gz OHIUWDTZWVUGLW-UHFFFAOYSA-N -1 3 341.392 3.481 40 0 EGABHM CCOc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000005101729 258051354 /nfs/dbraw/zinc/05/13/54/258051354.db2.gz QOWCEUQLDNNAKI-UHFFFAOYSA-N -1 3 334.755 3.484 40 0 EGABHM O=C(c1ccc(F)cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000280691 280186101 /nfs/dbraw/zinc/18/61/01/280186101.db2.gz AQFGXAZKLYFUPW-IUODEOHRSA-N -1 3 344.308 3.469 40 0 EGABHM CN(C[C@@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000517750583 312392185 /nfs/dbraw/zinc/39/21/85/312392185.db2.gz OTNRUOZNJZUZRN-RHSMWYFYSA-N -1 3 347.798 3.238 40 0 EGABHM COc1cc(OC)c(-c2oc3ccccc3c(=O)c2[O-])c(OC)c1 ZINC000001718914 452675605 /nfs/dbraw/zinc/67/56/05/452675605.db2.gz 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/nfs/dbraw/zinc/12/37/75/456123775.db2.gz TZYYIURVKKXRMI-NVXWUHKLSA-N -1 3 335.425 3.034 40 0 EGABHM COC(=O)c1ccc(CSc2n[n-]c(COc3ccccc3)n2)o1 ZINC000408552335 457580664 /nfs/dbraw/zinc/58/06/64/457580664.db2.gz LZXFGUIESLYDLZ-UHFFFAOYSA-N -1 3 345.380 3.056 40 0 EGABHM Cc1ccccc1C[C@H]1CCN(Cc2ccccc2C(=O)[O-])C[C@@H]1O ZINC000585278306 459832498 /nfs/dbraw/zinc/83/24/98/459832498.db2.gz BPLRFXKBNOHBQT-XLIONFOSSA-N -1 3 339.435 3.119 40 0 EGABHM O=c1c2ccc(I)cc2[nH]c([O-])c1CC1CC1 ZINC000685937199 550456343 /nfs/dbraw/zinc/45/63/43/550456343.db2.gz MVRDDZMSYHCDEE-UHFFFAOYSA-N -1 3 341.148 3.203 40 0 EGABHM O=c1[nH]c2cc(I)ccc2c([O-])c1CC1CC1 ZINC000685937199 550456344 /nfs/dbraw/zinc/45/63/44/550456344.db2.gz MVRDDZMSYHCDEE-UHFFFAOYSA-N -1 3 341.148 3.203 40 0 EGABHM Cc1nc(-c2cnc(C)nc2-c2ccc3c(c2[O-])OCCO3)cs1 ZINC000028464932 1291310121 /nfs/dbraw/zinc/31/01/21/1291310121.db2.gz DBLNTHOXQZAPKZ-UHFFFAOYSA-N -1 3 341.392 3.361 40 0 EGABHM Cc1nn2c(nnc3c2CC=N[N-]C3=O)c1-c1ccc(Cl)cc1 ZINC000040396036 282306620 /nfs/dbraw/zinc/30/66/20/282306620.db2.gz BVZFBJNBGQOHAC-UHFFFAOYSA-N -1 3 326.747 3.090 40 0 EGABHM Cc1cc(-c2cc(NC(=O)c3cc(-c4ccccn4)[n-]n3)n[nH]2)c(C)o1 ZINC000012147408 211308137 /nfs/dbraw/zinc/30/81/37/211308137.db2.gz LWUMQEFQYUIBBL-UHFFFAOYSA-N -1 3 348.366 3.324 40 0 EGABHM CCOC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(C)cc2)c1 ZINC000013647595 257912116 /nfs/dbraw/zinc/91/21/16/257912116.db2.gz PPUJMTGUMIIRSV-UHFFFAOYSA-N -1 3 333.409 3.114 40 0 EGABHM Cc1ccc(CC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000000978913 452640088 /nfs/dbraw/zinc/64/00/88/452640088.db2.gz INOBVGJAHJEWPW-XJKSGUPXSA-N -1 3 340.345 3.177 40 0 EGABHM CCCCCCc1cc(C(=O)Cn2ccccc2=O)c(O)cc1[O-] ZINC000003111550 452744767 /nfs/dbraw/zinc/74/47/67/452744767.db2.gz IMTSKBBPAFNNLQ-UHFFFAOYSA-N -1 3 329.396 3.265 40 0 biogenic EGABHM COc1ccc(NCc2n[n-]c(=S)n2-c2ccc(OC)cc2)cc1 ZINC000006520777 452949710 /nfs/dbraw/zinc/94/97/10/452949710.db2.gz BPXXPUJGRGFJLU-UHFFFAOYSA-N -1 3 342.424 3.185 40 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-1 3 328.434 3.080 40 0 EGABHM O=C([N-][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)C(F)F ZINC000194277217 455822216 /nfs/dbraw/zinc/82/22/16/455822216.db2.gz ZORNGARRBAYYPD-AWEZNQCLSA-N -1 3 333.313 3.298 40 0 EGABHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(F)cc2)N1 ZINC000000081511 209406731 /nfs/dbraw/zinc/40/67/31/209406731.db2.gz LRLCQJATHYVVGF-AWEZNQCLSA-N -1 3 332.297 3.325 40 0 EGABHM Cc1nc([C@H]2CCCN(Cc3cccc(F)c3F)C2)[n-]c(=O)c1C ZINC000019555400 212041615 /nfs/dbraw/zinc/04/16/15/212041615.db2.gz VSUOLXNMFRNOHY-AWEZNQCLSA-N -1 3 333.382 3.045 40 0 EGABHM CCC(CC)C(=O)N[C@H](c1cc(=O)[n-]c(-c2cccnc2)n1)C(C)C ZINC000019500246 212033404 /nfs/dbraw/zinc/03/34/04/212033404.db2.gz RBYCTAAOUQSQTR-KRWDZBQOSA-N -1 3 342.443 3.081 40 0 EGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 ZINC000012526289 211399357 /nfs/dbraw/zinc/39/93/57/211399357.db2.gz OXZCDPJODKGMLZ-UHFFFAOYSA-N -1 3 346.452 3.242 40 0 EGABHM Cc1cc(C(=O)Nc2ccccc2[O-])c2nc3n(c2n1)CCCCC3 ZINC000039554790 278654498 /nfs/dbraw/zinc/65/44/98/278654498.db2.gz ALXZHQFBGQMHGD-UHFFFAOYSA-N -1 3 336.395 3.424 40 0 EGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSC(C)(C)C ZINC000224189747 456064102 /nfs/dbraw/zinc/06/41/02/456064102.db2.gz MNEOFXPGSVMNNS-UHFFFAOYSA-N -1 3 337.894 3.159 40 0 EGABHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)cc1 ZINC000097103194 323215270 /nfs/dbraw/zinc/21/52/70/323215270.db2.gz RFJQDWXVNPBVRQ-UHFFFAOYSA-N -1 3 346.452 3.060 40 0 EGABHM CCOc1ccc(OCC)c(Cc2oc(-c3ccccc3)nc2[O-])c1 ZINC000000042471 452495307 /nfs/dbraw/zinc/49/53/07/452495307.db2.gz QTBYLWSMHNGQKW-SFHVURJKSA-N -1 3 339.391 3.399 40 0 EGABHM COc1cccc(C(=O)N2NC(CC(C)C)=C[C@]2([O-])C(F)(F)F)c1 ZINC000000356234 452570532 /nfs/dbraw/zinc/57/05/32/452570532.db2.gz RDKIKJKPNYPMBA-HNNXBMFYSA-N -1 3 344.333 3.194 40 0 EGABHM Cc1ccccc1-c1nnc2sc([N-]C(=O)c3ccco3)nn21 ZINC000006818080 452993417 /nfs/dbraw/zinc/99/34/17/452993417.db2.gz FOFHMJSTWXAHQJ-UHFFFAOYSA-N -1 3 325.353 3.007 40 0 EGABHM CCn1c(=O)[n-]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21 ZINC000006935376 453008315 /nfs/dbraw/zinc/00/83/15/453008315.db2.gz PLUFDYPICVLQOY-UHFFFAOYSA-N -1 3 349.312 3.099 40 0 EGABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc21 ZINC000007323247 453059706 /nfs/dbraw/zinc/05/97/06/453059706.db2.gz LQHCMLWMNXNIMS-UHFFFAOYSA-N -1 3 344.436 3.095 40 0 EGABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)c1 ZINC000014232442 453523455 /nfs/dbraw/zinc/52/34/55/453523455.db2.gz RLRYCHABZHEQOS-UHFFFAOYSA-N -1 3 341.436 3.349 40 0 EGABHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCCC2)c1 ZINC000096484013 454366244 /nfs/dbraw/zinc/36/62/44/454366244.db2.gz BBSWDWNOTZXEKA-KRWDZBQOSA-N -1 3 348.472 3.069 40 0 EGABHM Brc1ccsc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000184890702 455467691 /nfs/dbraw/zinc/46/76/91/455467691.db2.gz DEODQUZQTJZFQO-MRVPVSSYSA-N -1 3 330.207 3.357 40 0 EGABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C ZINC000408626269 457583714 /nfs/dbraw/zinc/58/37/14/457583714.db2.gz VQCCHRKLZBLADR-UHFFFAOYSA-N -1 3 340.351 3.032 40 0 EGABHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C)cc1 ZINC000585139796 459828447 /nfs/dbraw/zinc/82/84/47/459828447.db2.gz CJLRJGSWVDKTBJ-UHFFFAOYSA-N -1 3 348.468 3.336 40 0 EGABHM O=S(=O)(CCC(F)(F)F)[N-]Cc1ccc(-c2cccs2)o1 ZINC000575604930 459980309 /nfs/dbraw/zinc/98/03/09/459980309.db2.gz IGMISNGAAJDEOK-UHFFFAOYSA-N -1 3 339.360 3.380 40 0 EGABHM O=C([O-])c1coc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000652386741 461167640 /nfs/dbraw/zinc/16/76/40/461167640.db2.gz HFKTZCSEPWFZDJ-GFCCVEGCSA-N -1 3 326.352 3.499 40 0 EGABHM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)c1ccc(Br)o1 ZINC000101087719 219115975 /nfs/dbraw/zinc/11/59/75/219115975.db2.gz ODERXENNLNFTKW-CYBMUJFWSA-N -1 3 347.168 3.264 40 0 EGABHM Cc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020490273 212138302 /nfs/dbraw/zinc/13/83/02/212138302.db2.gz LLBPKMXUCVLPST-UHFFFAOYSA-N -1 3 338.816 3.272 40 0 EGABHM COc1c(Br)c(C)sc1C(=O)[N-]c1nnc(C)s1 ZINC000079685129 217247547 /nfs/dbraw/zinc/24/75/47/217247547.db2.gz CYNGYHCPOAYLMM-UHFFFAOYSA-N -1 3 348.247 3.240 40 0 EGABHM COc1ccc2cc(CNC(=O)c3ccc4n[n-]nc4c3)ccc2c1 ZINC000011125039 211203431 /nfs/dbraw/zinc/20/34/31/211203431.db2.gz BEFJQXGBOTXTQB-UHFFFAOYSA-N -1 3 332.363 3.050 40 0 EGABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C ZINC000408610325 257894116 /nfs/dbraw/zinc/89/41/16/257894116.db2.gz SVOSOMYBRGIUQK-UHFFFAOYSA-N -1 3 332.425 3.371 40 0 EGABHM Cc1ccc(CC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000000978914 452638980 /nfs/dbraw/zinc/63/89/80/452638980.db2.gz INOBVGJAHJEWPW-CZUORRHYSA-N -1 3 340.345 3.177 40 0 EGABHM O=C(/C=C/c1c(Cl)nc2ccccn21)[N-]OCc1ccccc1 ZINC000008096886 453161100 /nfs/dbraw/zinc/16/11/00/453161100.db2.gz GMXFGLZMTWSAHK-MDZDMXLPSA-N -1 3 327.771 3.249 40 0 EGABHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000024889355 453750427 /nfs/dbraw/zinc/75/04/27/453750427.db2.gz XNWYMXFHJMITFN-UHFFFAOYSA-N -1 3 344.436 3.189 40 0 EGABHM CCOc1ccc(OCC)c(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000044831987 454121409 /nfs/dbraw/zinc/12/14/09/454121409.db2.gz BVOUQEIBQMJWDL-LBPRGKRZSA-N -1 3 333.388 3.220 40 0 EGABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c(C)c1 ZINC000047454274 454374237 /nfs/dbraw/zinc/37/42/37/454374237.db2.gz HTYFFPGDXXDPLA-UHFFFAOYSA-N -1 3 333.409 3.315 40 0 EGABHM CCc1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1OC ZINC000074935041 454662525 /nfs/dbraw/zinc/66/25/25/454662525.db2.gz SLLCOYQFXBRWID-UHFFFAOYSA-N -1 3 348.424 3.017 40 0 EGABHM COc1ccc(S(=O)(=O)[N-]c2ccc3sncc3c2)cc1C ZINC000190829561 455388906 /nfs/dbraw/zinc/38/89/06/455388906.db2.gz FMACVDZOFFNGRR-UHFFFAOYSA-N -1 3 334.422 3.414 40 0 EGABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)N(C)CCO)ccc1OC2(C)C ZINC000257245710 455880262 /nfs/dbraw/zinc/88/02/62/455880262.db2.gz IQSBJGGJGKKJCC-BPLDGKMQSA-N -1 3 347.455 3.147 40 0 EGABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)Cc1ccccc1)N2 ZINC000409056341 457592618 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Cc1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000113948553 454939915 /nfs/dbraw/zinc/93/99/15/454939915.db2.gz IOPUKMXHZBAJNY-UHFFFAOYSA-N -1 3 338.816 3.272 40 0 EGABHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000331975788 457282876 /nfs/dbraw/zinc/28/28/76/457282876.db2.gz XIFAHDJSQFORDA-MRXNPFEDSA-N -1 3 343.427 3.069 40 0 EGABHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2ccc(F)c(C)c2)n[n-]1 ZINC000585141435 459829885 /nfs/dbraw/zinc/82/98/85/459829885.db2.gz VVILMFSFENQSSR-OAHLLOKOSA-N -1 3 348.422 3.306 40 0 EGABHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2ccc(F)c(C)c2)n1 ZINC000585141435 459829887 /nfs/dbraw/zinc/82/98/87/459829887.db2.gz VVILMFSFENQSSR-OAHLLOKOSA-N -1 3 348.422 3.306 40 0 EGABHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2ccc(F)c(C)c2)[n-]1 ZINC000585141435 459829891 /nfs/dbraw/zinc/82/98/91/459829891.db2.gz VVILMFSFENQSSR-OAHLLOKOSA-N -1 3 348.422 3.306 40 0 EGABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2OC)N1 ZINC000004181458 210141077 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CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccccc2)N1 ZINC000004866042 210306141 /nfs/dbraw/zinc/30/61/41/210306141.db2.gz SRSMEHGQPIYTDY-OAHLLOKOSA-N -1 3 328.334 3.259 40 0 EGABHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(F)cc2)N1 ZINC000000081521 452501715 /nfs/dbraw/zinc/50/17/15/452501715.db2.gz LRLCQJATHYVVGF-CQSZACIVSA-N -1 3 332.297 3.325 40 0 EGABHM O=C(c1ccco1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000000280403 452552708 /nfs/dbraw/zinc/55/27/08/452552708.db2.gz UETBGNBNLJAXFZ-AWEZNQCLSA-N -1 3 330.306 3.313 40 0 EGABHM CCOC(=O)c1cn[n-]c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006693798 452968892 /nfs/dbraw/zinc/96/88/92/452968892.db2.gz YLPYAFFCQCCWEM-UHFFFAOYSA-N -1 3 342.277 3.249 40 0 EGABHM CCOC(=O)c1c[n-]nc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006693798 452968920 /nfs/dbraw/zinc/96/89/20/452968920.db2.gz YLPYAFFCQCCWEM-UHFFFAOYSA-N -1 3 342.277 3.249 40 0 EGABHM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000007927792 453135365 /nfs/dbraw/zinc/13/53/65/453135365.db2.gz 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/nfs/dbraw/zinc/34/75/09/454347509.db2.gz UBZOJINLJGHGPN-UHFFFAOYSA-N -1 3 342.786 3.198 40 0 EGABHM COc1cccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000047318224 454356660 /nfs/dbraw/zinc/35/66/60/454356660.db2.gz NZCMSBANHNZNPH-UHFFFAOYSA-N -1 3 335.363 3.006 40 0 EGABHM CCOCCOc1c2cc(Br)ccc2oc1C(=O)[O-] ZINC000096510848 454373862 /nfs/dbraw/zinc/37/38/62/454373862.db2.gz RKYIXWNSUXFUDT-UHFFFAOYSA-N -1 3 329.146 3.309 40 0 EGABHM O=C([O-])CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000065739617 454616856 /nfs/dbraw/zinc/61/68/56/454616856.db2.gz NBQBQRKLQXVPIS-LJQANCHMSA-N -1 3 344.842 3.132 40 0 in-vitro EGABHM CCOc1cc(Cl)c(S(=O)(=O)[N-]CC(C)C)cc1Cl ZINC000072414536 216204781 /nfs/dbraw/zinc/20/47/81/216204781.db2.gz XDDRODGCKRZXSW-UHFFFAOYSA-N -1 3 326.245 3.326 40 0 EGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(F)c2)cc1Cl ZINC000022519285 212303893 /nfs/dbraw/zinc/30/38/93/212303893.db2.gz DHONDHIHUIGUHH-UHFFFAOYSA-N -1 3 342.779 3.103 40 0 EGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1 ZINC000225964202 242080793 /nfs/dbraw/zinc/08/07/93/242080793.db2.gz HICRFEGAFKTBTO-UHFFFAOYSA-N -1 3 346.452 3.342 40 0 EGABHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)c1 ZINC000020492445 212139185 /nfs/dbraw/zinc/13/91/85/212139185.db2.gz BPRVIQMJXVTRTB-CQSZACIVSA-N -1 3 346.452 3.166 40 0 EGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C ZINC000020029913 212095668 /nfs/dbraw/zinc/09/56/68/212095668.db2.gz XBJVPZPAAGIFLG-UHFFFAOYSA-N -1 3 331.315 3.222 40 0 EGABHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)o1 ZINC000539804463 314339827 /nfs/dbraw/zinc/33/98/27/314339827.db2.gz WBNALUBDKYLSAO-ZDUSSCGKSA-N -1 3 344.436 3.214 40 0 EGABHM CC(C)OC(=O)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000002643556 452711063 /nfs/dbraw/zinc/71/10/63/452711063.db2.gz GMARJZSRFLOPHZ-UHFFFAOYSA-N -1 3 328.393 3.146 40 0 EGABHM C[C@H]([N-]S(=O)(=O)c1cccs1)C1C2CC3CC(C2)CC1C3 ZINC000005555507 452881875 /nfs/dbraw/zinc/88/18/75/452881875.db2.gz SPQJQLRSDWUDRT-BSTQEOMGSA-N -1 3 325.499 3.487 40 0 EGABHM C[C@@H]1CC(=O)c2c[n-]c3nn(-c4ccc(Cl)cc4)c(=O)c-3c2C1 ZINC000013611309 453475311 /nfs/dbraw/zinc/47/53/11/453475311.db2.gz FBZCEOPFFACLEU-VIFPVBQESA-N -1 3 327.771 3.132 40 0 EGABHM CCCCS(=O)(=O)[N-]c1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000014236993 453524660 /nfs/dbraw/zinc/52/46/60/453524660.db2.gz WTRASWAHDJIJKH-UHFFFAOYSA-N -1 3 345.827 3.266 40 0 EGABHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2cccc(Cl)c2)c1 ZINC000015279159 453563283 /nfs/dbraw/zinc/56/32/83/453563283.db2.gz OPMXPGHCJASYRX-UHFFFAOYSA-N -1 3 339.800 3.069 40 0 EGABHM COC(=O)c1cnc(SCc2ncc(-c3ccccc3F)o2)[n-]1 ZINC000193537443 455763887 /nfs/dbraw/zinc/76/38/87/455763887.db2.gz VECKLXPMEVKVKA-UHFFFAOYSA-N -1 3 333.344 3.283 40 0 EGABHM CO[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1Cc1ccccc1 ZINC000585278898 459832272 /nfs/dbraw/zinc/83/22/72/459832272.db2.gz IJWKWGGSAHUEBY-WOJBJXKFSA-N -1 3 339.435 3.464 40 0 EGABHM CCCCOc1ccc(C(=O)N2CCC(n3ccnc3)CC2)c([O-])c1 ZINC000190237911 528659116 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