smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1nccc1NC(=O)c1nc2cc(F)ccc2[n-]1 ZINC000019226347 810725663 /nfs/dbraw/zinc/72/56/63/810725663.db2.gz RISANTQDADQYEG-UHFFFAOYSA-N -1 3 273.271 2.171 50 0 CEAAHM Cc1cc([O-])cc(C(=O)N[C@H]2CCCCC[C@@H]2CO)c1 ZINC000095996111 185060033 /nfs/dbraw/zinc/06/00/33/185060033.db2.gz QPSXTTIAQHRCNK-DOMZBBRYSA-N -1 3 277.364 2.372 50 0 CEAAHM CC1(C)OC(=O)C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000096116804 185100777 /nfs/dbraw/zinc/10/07/77/185100777.db2.gz IYZNJCGXAFFCAO-MRVPVSSYSA-N -1 3 283.711 2.326 50 0 CEAAHM CC1(C)OC(=O)C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000096116803 185100962 /nfs/dbraw/zinc/10/09/62/185100962.db2.gz IYZNJCGXAFFCAO-QMMMGPOBSA-N -1 3 283.711 2.326 50 0 CEAAHM Cc1ccc(NC(=O)CCS(=O)(=O)CC(C)C)c([O-])c1 ZINC000047477558 362209469 /nfs/dbraw/zinc/20/94/69/362209469.db2.gz YJOGNXUBQYMOTP-UHFFFAOYSA-N -1 3 299.392 2.100 50 0 CEAAHM COc1ccccc1C(=O)Nc1ccc(N)cc1[O-] ZINC000048564656 343531555 /nfs/dbraw/zinc/53/15/55/343531555.db2.gz HCKHKYCYFDNJKX-UHFFFAOYSA-N -1 3 258.277 2.235 50 0 CEAAHM Cc1ncc(CO)c(CNCc2ccc(F)cc2)c1[O-] ZINC000157410128 344446041 /nfs/dbraw/zinc/44/60/41/344446041.db2.gz OISOLXIEPJNSTK-UHFFFAOYSA-N -1 3 276.311 2.017 50 0 CEAAHM CCCS(=O)(=O)[N-]c1cc(CCc2ccccc2)[nH]n1 ZINC000252507906 344639910 /nfs/dbraw/zinc/63/99/10/344639910.db2.gz WWMHSIFZWCETNQ-UHFFFAOYSA-N -1 3 293.392 2.347 50 0 CEAAHM Cc1cccc(-n2c(=O)[n-]nc2[C@@H](C)OC(C)C)c1 ZINC000065395360 362817571 /nfs/dbraw/zinc/81/75/71/362817571.db2.gz HIYDQGOUMBGFQN-LLVKDONJSA-N -1 3 261.325 2.355 50 0 CEAAHM Cc1cccc(CN(C)Cc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000065410843 362820360 /nfs/dbraw/zinc/82/03/60/362820360.db2.gz BZCLJBYWTOHNKS-UHFFFAOYSA-N -1 3 297.362 2.009 50 0 CEAAHM C[C@@H](c1ccc(F)cc1F)N1CC[C@H](C(=O)[O-])C1 ZINC000086789906 179334823 /nfs/dbraw/zinc/33/48/23/179334823.db2.gz DEKORJYHOFOVGO-IUCAKERBSA-N -1 3 255.264 2.432 50 0 CEAAHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000069895396 363011491 /nfs/dbraw/zinc/01/14/91/363011491.db2.gz IQYXBKMSQIHCMS-UHFFFAOYSA-N -1 3 297.293 2.282 50 0 CEAAHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000069895396 363011497 /nfs/dbraw/zinc/01/14/97/363011497.db2.gz IQYXBKMSQIHCMS-UHFFFAOYSA-N -1 3 297.293 2.282 50 0 CEAAHM O=C1[N-]C2(CCCC2)O[C@@H]1C(Cl)(Cl)Cl ZINC000071771158 363111657 /nfs/dbraw/zinc/11/16/57/363111657.db2.gz MYGDRVCEPPYQEZ-YFKPBYRVSA-N -1 3 258.532 2.142 50 0 CEAAHM O=C(CC[C@@H]1CCCO1)Nc1cc(F)ccc1[O-] ZINC000079014355 363564805 /nfs/dbraw/zinc/56/48/05/363564805.db2.gz ZWSFIFYXFKWLAF-JTQLQIEISA-N -1 3 253.273 2.429 50 0 CEAAHM O=S(=O)([N-]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000000166852 361138480 /nfs/dbraw/zinc/13/84/80/361138480.db2.gz IWCGFPPNWQUVBR-UHFFFAOYSA-N -1 3 266.149 2.434 50 0 CEAAHM CCOC(=O)c1nnsc1[N-]C(=O)Nc1ccccc1 ZINC000000281836 361156950 /nfs/dbraw/zinc/15/69/50/361156950.db2.gz UXSHHFPUCBARLA-UHFFFAOYSA-N -1 3 292.320 2.359 50 0 CEAAHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1C ZINC000000613841 361190066 /nfs/dbraw/zinc/19/00/66/361190066.db2.gz KVOZEOSBQBKHBK-UHFFFAOYSA-N -1 3 294.310 2.439 50 0 CEAAHM CCn1cc(Cl)c(C(=O)[N-]c2cc(C)on2)n1 ZINC000002761836 361249492 /nfs/dbraw/zinc/24/94/92/361249492.db2.gz JOLUDGKCSAKVGX-UHFFFAOYSA-N -1 3 254.677 2.105 50 0 CEAAHM CCOC([O-])=NC(=O)CSc1ccc(F)cc1 ZINC000003518104 361282666 /nfs/dbraw/zinc/28/26/66/361282666.db2.gz GMPGZYYNRHZWJC-UHFFFAOYSA-N -1 3 257.286 2.191 50 0 CEAAHM CCOC(=O)[N-]C(=O)CSc1ccc(F)cc1 ZINC000003518104 361282671 /nfs/dbraw/zinc/28/26/71/361282671.db2.gz GMPGZYYNRHZWJC-UHFFFAOYSA-N -1 3 257.286 2.191 50 0 CEAAHM O=C(NC1CCCCC1)[C@@H]1CC(c2ccccc2[O-])=NO1 ZINC000004505197 361319426 /nfs/dbraw/zinc/31/94/26/361319426.db2.gz GKAZUERCSPBFMR-HNNXBMFYSA-N -1 3 288.347 2.334 50 0 CEAAHM CCOC([O-])=NC(=S)NCCc1c[nH]c2ccccc12 ZINC000004366783 361313570 /nfs/dbraw/zinc/31/35/70/361313570.db2.gz DFEIHVJJGNYTHR-UHFFFAOYSA-N -1 3 291.376 2.331 50 0 CEAAHM CCOC(=O)[N-]C(=S)NCCc1c[nH]c2ccccc12 ZINC000004366783 361313571 /nfs/dbraw/zinc/31/35/71/361313571.db2.gz DFEIHVJJGNYTHR-UHFFFAOYSA-N -1 3 291.376 2.331 50 0 CEAAHM O=C([N-]c1nc(-c2ccccn2)cs1)c1ccno1 ZINC000006607222 361336338 /nfs/dbraw/zinc/33/63/38/361336338.db2.gz ZGNOFSGIXVMSFT-UHFFFAOYSA-N -1 3 272.289 2.445 50 0 CEAAHM COc1cc(-c2noc(C(F)(F)F)n2)ccc1[O-] ZINC000011920164 361368921 /nfs/dbraw/zinc/36/89/21/361368921.db2.gz RNEGTPBAKCRJIQ-UHFFFAOYSA-N -1 3 260.171 2.470 50 0 CEAAHM CCCCn1nc(C(=O)Nc2ccccc2[O-])ccc1=O ZINC000012740934 361397970 /nfs/dbraw/zinc/39/79/70/361397970.db2.gz HTQMJIOGALLLRG-UHFFFAOYSA-N -1 3 287.319 2.001 50 0 CEAAHM CCc1nn(C)cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182933356 189340119 /nfs/dbraw/zinc/34/01/19/189340119.db2.gz UFSQAGIIGOOKBX-UHFFFAOYSA-N -1 3 285.347 2.281 50 0 CEAAHM Cc1ccccc1CSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000013543803 361431417 /nfs/dbraw/zinc/43/14/17/361431417.db2.gz KJMXTNIPAFIQAD-UHFFFAOYSA-N -1 3 272.333 2.247 50 0 CEAAHM CC(C)(C)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024894845 361615770 /nfs/dbraw/zinc/61/57/70/361615770.db2.gz ZZTOCWIGMMQLKM-UHFFFAOYSA-N -1 3 284.381 2.433 50 0 CEAAHM C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3[O-])C(=O)[C@H]2C1 ZINC000239274886 370776222 /nfs/dbraw/zinc/77/62/22/370776222.db2.gz AVRRDAJDEBVFMS-MXWKQRLJSA-N -1 3 259.305 2.318 50 0 CEAAHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccccc2)n[n-]1 ZINC000097097486 364447695 /nfs/dbraw/zinc/44/76/95/364447695.db2.gz FOYNQMNRSPCQRL-JTQLQIEISA-N -1 3 287.319 2.329 50 0 CEAAHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccccc2)[n-]n1 ZINC000097097486 364447701 /nfs/dbraw/zinc/44/77/01/364447701.db2.gz FOYNQMNRSPCQRL-JTQLQIEISA-N -1 3 287.319 2.329 50 0 CEAAHM O=C(/C=C/C1CCOCC1)Nc1ccc([O-])cc1F ZINC000170599384 367384288 /nfs/dbraw/zinc/38/42/88/367384288.db2.gz PCKTXJISXOPKQM-DAFODLJHSA-N -1 3 265.284 2.453 50 0 CEAAHM CC(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)=C1CCCC1 ZINC000170657270 367393221 /nfs/dbraw/zinc/39/32/21/367393221.db2.gz HKHIQESSYAMMSA-UHFFFAOYSA-N -1 3 297.362 2.373 50 0 CEAAHM CC(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)=C1CCCC1 ZINC000170657270 367393225 /nfs/dbraw/zinc/39/32/25/367393225.db2.gz HKHIQESSYAMMSA-UHFFFAOYSA-N -1 3 297.362 2.373 50 0 CEAAHM CCCc1noc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000249718786 284125145 /nfs/dbraw/zinc/12/51/45/284125145.db2.gz AKWYKYGHOOQVLW-UTUOFQBUSA-N -1 3 293.367 2.240 50 0 CEAAHM CCCN1CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC000221215501 370238806 /nfs/dbraw/zinc/23/88/06/370238806.db2.gz BZGMQEGUBKPEJB-LBPRGKRZSA-N -1 3 280.343 2.136 50 0 CEAAHM NC(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000225418276 370293980 /nfs/dbraw/zinc/29/39/80/370293980.db2.gz VINUKKCXRHZSCQ-UHFFFAOYSA-N -1 3 278.258 2.381 50 0 CEAAHM O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc([O-])cc1 ZINC000244899768 189915471 /nfs/dbraw/zinc/91/54/71/189915471.db2.gz ZPTLDUWNWXHXJC-XNRPHZJLSA-N -1 3 298.342 2.029 50 0 CEAAHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](C(C)(C)C)C2)n1 ZINC000279809471 374996931 /nfs/dbraw/zinc/99/69/31/374996931.db2.gz PUZBFKMAHPZDRG-NEPJUHHUSA-N -1 3 279.384 2.299 50 0 CEAAHM O=c1[nH]c(-c2ccc([O-])cc2)nc2ccc(F)cc12 ZINC000048606600 285193954 /nfs/dbraw/zinc/19/39/54/285193954.db2.gz UIZSGJMLDVHUNG-UHFFFAOYSA-N -1 3 256.236 2.435 50 0 CEAAHM C[C@@H](Cc1ccsc1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000048751651 400209884 /nfs/dbraw/zinc/20/98/84/400209884.db2.gz VWTRZNIPXXYXDN-VIFPVBQESA-N -1 3 286.360 2.380 50 0 CEAAHM CCCCOC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O ZINC000005129571 170069123 /nfs/dbraw/zinc/06/91/23/170069123.db2.gz NMTPJRZGRSMVIC-UHFFFAOYSA-N -1 3 270.354 2.017 50 0 CEAAHM CSc1ccccc1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000006607640 170218675 /nfs/dbraw/zinc/21/86/75/170218675.db2.gz VXPCRNZMTZINSP-UHFFFAOYSA-N -1 3 299.359 2.407 50 0 CEAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000006731502 170235626 /nfs/dbraw/zinc/23/56/26/170235626.db2.gz FYVPNQRCKZSWLM-UHFFFAOYSA-N -1 3 283.266 2.258 50 0 CEAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000006731502 170235627 /nfs/dbraw/zinc/23/56/27/170235627.db2.gz FYVPNQRCKZSWLM-UHFFFAOYSA-N -1 3 283.266 2.258 50 0 CEAAHM COc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1O ZINC000009155300 170364602 /nfs/dbraw/zinc/36/46/02/170364602.db2.gz XPYMCVLLGORKRC-JYRVWZFOSA-N -1 3 295.294 2.211 50 0 CEAAHM O=C(Nc1ncccc1[O-])c1cncc(Br)c1 ZINC000009834496 170386262 /nfs/dbraw/zinc/38/62/62/170386262.db2.gz RJYANYCSOMCXNE-UHFFFAOYSA-N -1 3 294.108 2.197 50 0 CEAAHM CCc1nc2ccccc2n1CC(=O)Nc1ncccc1[O-] ZINC000022264094 171382876 /nfs/dbraw/zinc/38/28/76/171382876.db2.gz LBGUZYFHIUGSLT-UHFFFAOYSA-N -1 3 296.330 2.338 50 0 CEAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(C)c2)N1 ZINC000000356109 278510293 /nfs/dbraw/zinc/51/02/93/278510293.db2.gz GBHSLBJJTGWWJL-LBPRGKRZSA-N -1 3 286.253 2.468 50 0 CEAAHM Cc1cocc1C(=O)N1NC(C)=C[C@@]1([O-])C(F)(F)F ZINC000000448862 293011962 /nfs/dbraw/zinc/01/19/62/293011962.db2.gz OLXIVZXYQOEBLS-SNVBAGLBSA-N -1 3 276.214 2.061 50 0 CEAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)s1 ZINC000195579681 321821599 /nfs/dbraw/zinc/82/15/99/321821599.db2.gz VRARFZSXENHVMK-UHFFFAOYSA-N -1 3 284.362 2.266 50 0 CEAAHM COc1ccsc1CN1CCC(C(=O)[O-])CC1 ZINC000575442450 329120219 /nfs/dbraw/zinc/12/02/19/329120219.db2.gz PRMBTJBXHJOJFK-UHFFFAOYSA-N -1 3 255.339 2.053 50 0 CEAAHM CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2F)n[n-]1 ZINC000096004829 185062650 /nfs/dbraw/zinc/06/26/50/185062650.db2.gz GMMMFEAZPCXERH-UHFFFAOYSA-N -1 3 291.282 2.286 50 0 CEAAHM CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2F)[n-]n1 ZINC000096004829 185062651 /nfs/dbraw/zinc/06/26/51/185062651.db2.gz GMMMFEAZPCXERH-UHFFFAOYSA-N -1 3 291.282 2.286 50 0 CEAAHM CC1CCC(NC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000032747492 361754850 /nfs/dbraw/zinc/75/48/50/361754850.db2.gz GSXLTHXDIQTHJG-UHFFFAOYSA-N -1 3 285.351 2.175 50 0 CEAAHM CC1CCC(NC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000032747492 361754855 /nfs/dbraw/zinc/75/48/55/361754855.db2.gz GSXLTHXDIQTHJG-UHFFFAOYSA-N -1 3 285.351 2.175 50 0 CEAAHM CCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000037022950 361887251 /nfs/dbraw/zinc/88/72/51/361887251.db2.gz YRRYIQXGKWPBLI-UHFFFAOYSA-N -1 3 251.710 2.167 50 0 CEAAHM O=C(c1c([O-])cccc1F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000131474768 344358156 /nfs/dbraw/zinc/35/81/56/344358156.db2.gz BSXSLTSPOQOXJA-JTQLQIEISA-N -1 3 290.298 2.017 50 0 CEAAHM O=C(Cc1[nH]nc2ccccc21)[N-]OCc1ccccc1 ZINC000050553556 362421793 /nfs/dbraw/zinc/42/17/93/362421793.db2.gz MRIVBYNWWZFWSX-UHFFFAOYSA-N -1 3 281.315 2.353 50 0 CEAAHM COC(C)(C)CCNC(=O)c1cc([O-])ccc1F ZINC000584891077 344999785 /nfs/dbraw/zinc/99/97/85/344999785.db2.gz XUWCPCOXDPKJAH-UHFFFAOYSA-N -1 3 255.289 2.076 50 0 CEAAHM O=C([O-])[C@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000062134118 362712227 /nfs/dbraw/zinc/71/22/27/362712227.db2.gz KTGSOHQJNOMXTA-NSHDSACASA-N -1 3 274.295 2.280 50 0 CEAAHM O=C(Nc1ncccc1[O-])c1ccn(-c2cccc(F)c2)n1 ZINC000063090588 362748878 /nfs/dbraw/zinc/74/88/78/362748878.db2.gz PGAJSDUNVXIISP-UHFFFAOYSA-N -1 3 298.277 2.364 50 0 CEAAHM COc1cccc(-n2c(=O)[n-]nc2[C@H](C)OC(C)C)c1 ZINC000065410960 362820190 /nfs/dbraw/zinc/82/01/90/362820190.db2.gz IRFMGKVERLFQQC-JTQLQIEISA-N -1 3 277.324 2.055 50 0 CEAAHM Cc1cc([N-]C(=O)[C@@H](C)N(C)Cc2scnc2C)on1 ZINC000066564915 362873630 /nfs/dbraw/zinc/87/36/30/362873630.db2.gz POZWVKZEHCZKGL-SNVBAGLBSA-N -1 3 294.380 2.207 50 0 CEAAHM Cc1nc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)sc1C ZINC000091663235 180219285 /nfs/dbraw/zinc/21/92/85/180219285.db2.gz KCEVXAZYAKNELP-NWDGAFQWSA-N -1 3 280.393 2.303 50 0 CEAAHM Cc1ccc(C)c2sc(NC(=O)c3cnn[n-]3)nc21 ZINC000069567905 362981268 /nfs/dbraw/zinc/98/12/68/362981268.db2.gz ATSCHUFFUOHFEK-UHFFFAOYSA-N -1 3 273.321 2.284 50 0 CEAAHM Cc1ccc(C)c2sc(NC(=O)c3c[n-]nn3)nc21 ZINC000069567905 362981273 /nfs/dbraw/zinc/98/12/73/362981273.db2.gz ATSCHUFFUOHFEK-UHFFFAOYSA-N -1 3 273.321 2.284 50 0 CEAAHM Cc1ccc(C)c2sc(NC(=O)c3cn[n-]n3)nc21 ZINC000069567905 362981277 /nfs/dbraw/zinc/98/12/77/362981277.db2.gz ATSCHUFFUOHFEK-UHFFFAOYSA-N -1 3 273.321 2.284 50 0 CEAAHM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccccc1[O-] ZINC000081796783 363740904 /nfs/dbraw/zinc/74/09/04/363740904.db2.gz PBXGPHGRLKYOBJ-UHFFFAOYSA-N -1 3 299.305 2.380 50 0 CEAAHM CCOC(=O)c1nnsc1[N-]c1cccc(OC)c1 ZINC000001416966 361205168 /nfs/dbraw/zinc/20/51/68/361205168.db2.gz IRLXYMHIHUKVPF-UHFFFAOYSA-N -1 3 279.321 2.467 50 0 CEAAHM CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000000529283 361184089 /nfs/dbraw/zinc/18/40/89/361184089.db2.gz BTCMAALHVUSWIT-UHFFFAOYSA-N -1 3 284.164 2.300 50 0 CEAAHM N[C@@H](C(=O)[O-])c1ccc(OCCc2ccccc2)cc1 ZINC000003676980 361288325 /nfs/dbraw/zinc/28/83/25/361288325.db2.gz JHONQAMLVHSTGB-OAHLLOKOSA-N -1 3 271.316 2.393 50 0 CEAAHM CC(=O)Nc1ccc2c(ccc([O-])c2NC(C)=O)c1 ZINC000003844823 361291264 /nfs/dbraw/zinc/29/12/64/361291264.db2.gz VWWTVRDJIAUFRL-UHFFFAOYSA-N -1 3 258.277 2.462 50 0 CEAAHM COc1cccc(C(=O)NCc2ccccc2F)c1[O-] ZINC000012790165 361401081 /nfs/dbraw/zinc/40/10/81/361401081.db2.gz HEZXFAOLZKSVIM-UHFFFAOYSA-N -1 3 275.279 2.470 50 0 CEAAHM C[C@H]1CCCCN1C(=O)[C@@H]1CC(c2ccccc2[O-])=NO1 ZINC000012848611 361402159 /nfs/dbraw/zinc/40/21/59/361402159.db2.gz JPZXEZSLAPODKN-NHYWBVRUSA-N -1 3 288.347 2.286 50 0 CEAAHM Cc1ccc([O-])c(C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000012976613 361413009 /nfs/dbraw/zinc/41/30/09/361413009.db2.gz BHXZWGGNZFNJLT-UHFFFAOYSA-N -1 3 288.391 2.401 50 0 CEAAHM Cc1ccc(NC(=O)CNC(=O)C2CCCCC2)c([O-])c1 ZINC000014076746 361447848 /nfs/dbraw/zinc/44/78/48/361447848.db2.gz WALPOVLSVAKBOZ-UHFFFAOYSA-N -1 3 290.363 2.336 50 0 CEAAHM Cc1ccc(NC(=O)CN2CCCCCC2=O)c([O-])c1 ZINC000013021353 361417043 /nfs/dbraw/zinc/41/70/43/361417043.db2.gz WJWMCLDKBZKQGS-UHFFFAOYSA-N -1 3 276.336 2.042 50 0 CEAAHM CCC(CC)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000016093153 361482872 /nfs/dbraw/zinc/48/28/72/361482872.db2.gz SDHJRODYTSQGLO-UHFFFAOYSA-N -1 3 262.762 2.202 50 0 CEAAHM Cc1[nH]c(=S)[n-]c(=O)c1Cc1ccc(F)cc1 ZINC000018067793 361514329 /nfs/dbraw/zinc/51/43/29/361514329.db2.gz FQTSAGYEEWAYQZ-UHFFFAOYSA-N -1 3 250.298 2.471 50 0 CEAAHM Nc1nc([O-])c(Cc2cc(Cl)ccc2Cl)s1 ZINC000018209188 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