smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000000868846 203959313 /nfs/dbraw/zinc/95/93/13/203959313.db2.gz TWSHEHPASLJVLH-LFIBNONCSA-N 0 0 358.394 3.388 50 10 FGCARN C[C@H]1CN(C2=NC(=O)C(=Cc3c[nH]nc3-c3ccccc3)S2)C[C@H](C)O1 ZINC000003904305 204114266 /nfs/dbraw/zinc/11/42/66/204114266.db2.gz CUBAANKEPOUECM-GKUYHTSYSA-N 0 0 368.462 3.156 50 10 FGCARN Cc1ccc(Sc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1 ZINC000004513328 204143146 /nfs/dbraw/zinc/14/31/46/204143146.db2.gz MATJRXMODWQSDS-UHFFFAOYSA-N 0 0 372.471 3.338 50 10 FGCARN CC(C)Nc1cc(N(C)CCO)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737940 204264829 /nfs/dbraw/zinc/26/48/29/204264829.db2.gz YCAJSKLCGPZZBS-UHFFFAOYSA-N 0 0 351.406 3.288 50 10 FGCARN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1[N+](=O)[O-] ZINC000007786437 204308242 /nfs/dbraw/zinc/30/82/42/204308242.db2.gz AATFEYXKFBZITD-GOSISDBHSA-N 0 0 352.394 3.390 50 10 FGCARN Cc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c1 ZINC000035597200 204323572 /nfs/dbraw/zinc/32/35/72/204323572.db2.gz MYMTXTBFDGSBQH-HXUWFJFHSA-N 0 0 352.482 3.412 50 10 FGCARN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(F)c1 ZINC000009287926 204360910 /nfs/dbraw/zinc/36/09/10/204360910.db2.gz FBQDZBJPPSSEAR-FOWTUZBSSA-N 0 0 373.453 3.255 50 10 FGCARN CN(C)c1ccc(CNC(=O)CSc2ncnc3sccc32)cc1 ZINC000009364322 204364889 /nfs/dbraw/zinc/36/48/89/204364889.db2.gz MZGWZJHZRRSTCP-UHFFFAOYSA-N 0 0 358.492 3.166 50 10 FGCARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000027520553 204863343 /nfs/dbraw/zinc/86/33/43/204863343.db2.gz APYIDLUBSZNNCY-ATVHPVEESA-N 0 0 367.361 3.384 50 10 FGCARN CCn1cc(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)c(C)n1 ZINC000036619604 205018359 /nfs/dbraw/zinc/01/83/59/205018359.db2.gz WVHNEGAKTJOKJY-YVLHZVERSA-N 0 0 352.463 3.240 50 10 FGCARN CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000053128202 205189951 /nfs/dbraw/zinc/18/99/51/205189951.db2.gz AFWILWSUIOOKNN-SFHVURJKSA-N 0 0 371.868 3.075 50 10 FGCARN COC(=O)c1c2c(sc1NC(=O)[C@H]1CC(=O)Nc3ccccc31)CCC2 ZINC000095947158 205797513 /nfs/dbraw/zinc/79/75/13/205797513.db2.gz CJWKPBJSBHNTBK-LBPRGKRZSA-N 0 0 370.430 3.088 50 10 FGCARN COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCCC1 ZINC000044085880 206064715 /nfs/dbraw/zinc/06/47/15/206064715.db2.gz OPUKOXHICYSFHI-UHFFFAOYSA-N 0 0 359.495 3.219 50 10 FGCARN O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)OC1CCCCC1 ZINC000001239038 206146400 /nfs/dbraw/zinc/14/64/00/206146400.db2.gz GAGRTZGSJZJXBM-LCYFTJDESA-N 0 0 351.449 3.357 50 10 FGCARN CN(C)c1ccc(CNC(=O)COc2ccccc2Br)cc1 ZINC000007096657 206207485 /nfs/dbraw/zinc/20/74/85/206207485.db2.gz PIWIUOZTQIWGBX-UHFFFAOYSA-N 0 0 363.255 3.210 50 10 FGCARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2C)cc1 ZINC000007423606 206208338 /nfs/dbraw/zinc/20/83/38/206208338.db2.gz CJXUTCGJXAWUDO-UHFFFAOYSA-N 0 0 358.423 3.123 50 10 FGCARN COc1c(C)cnc(CNC(=O)/C=C\c2ccc3c(c2)CCCN3C)c1C ZINC000098052650 132231521 /nfs/dbraw/zinc/23/15/21/132231521.db2.gz VLMFXABNHHGLHD-NTMALXAHSA-N 0 0 365.477 3.419 50 10 FGCARN CCOc1cc(CN2CCN(c3ccc(OC)cc3)CC2)ccc1OC ZINC000000752305 132378294 /nfs/dbraw/zinc/37/82/94/132378294.db2.gz JUHPDZBTXALPMU-UHFFFAOYSA-N 0 0 356.466 3.425 50 10 FGCARN Cc1cc(C)nc(NN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)n1 ZINC000001201001 493789702 /nfs/dbraw/zinc/78/97/02/493789702.db2.gz OQCYDPMOBIFKGI-JYRVWZFOSA-N 0 0 358.448 3.027 50 10 FGCARN COc1ccc([C@@H](NC(C)=O)c2ccc3cccnc3c2O)cc1OC ZINC000001216657 493790801 /nfs/dbraw/zinc/79/08/01/493790801.db2.gz DABPCQYLGSZBAM-GOSISDBHSA-N 0 0 352.390 3.183 50 10 FGCARN Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000010907121 494165286 /nfs/dbraw/zinc/16/52/86/494165286.db2.gz ULXOKSGXUIIMSR-UHFFFAOYSA-N 0 0 369.421 3.012 50 10 FGCARN CCOc1ccccc1[C@@H]1CC(=O)NC(NC(=O)c2cccc(Cl)c2)=N1 ZINC000020924848 494483819 /nfs/dbraw/zinc/48/38/19/494483819.db2.gz JGMOQDYQDBJFGG-HNNXBMFYSA-N 0 0 371.824 3.086 50 10 FGCARN Cc1cc(C(=O)NCc2nnc3ccccn32)c(C)n1-c1ccc(F)cc1 ZINC000023244578 494557905 /nfs/dbraw/zinc/55/79/05/494557905.db2.gz AKEWFFQJKPHTFO-UHFFFAOYSA-N 0 0 363.396 3.206 50 10 FGCARN CCCCN1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S ZINC000096942874 495016431 /nfs/dbraw/zinc/01/64/31/495016431.db2.gz IYKOTJGLLZAYLV-ZSOIEALJSA-N 0 0 362.455 3.408 50 10 FGCARN CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(OC)cc1)O2 ZINC000137215142 495430159 /nfs/dbraw/zinc/43/01/59/495430159.db2.gz GTRWMWKCKQQGHI-GWMUQRIZSA-N 0 0 350.378 3.060 50 10 FGCARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1N=NN(C)C ZINC000254823310 497351801 /nfs/dbraw/zinc/35/18/01/497351801.db2.gz NHVMJPNGPRKYFQ-AWEZNQCLSA-N 0 0 366.421 3.382 50 10 FGCARN Cc1c2cc(F)ccc2n(C)c1C(=O)N(Cc1cocn1)Cc1cocn1 ZINC000426658226 500302514 /nfs/dbraw/zinc/30/25/14/500302514.db2.gz MBHQUHSEHOIMOM-UHFFFAOYSA-N 0 0 368.368 3.444 50 10 FGCARN CCOC(=O)c1cnc2c(N=Nc3cccc(Cl)c3)c(N)nn2c1N ZINC000252617424 521575407 /nfs/dbraw/zinc/57/54/07/521575407.db2.gz KSNMBISZDFJVRR-UHFFFAOYSA-N 0 0 359.777 3.139 50 10 aggregator FGCARN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1c1ccccc1F ZINC000084502015 571086887 /nfs/dbraw/zinc/08/68/87/571086887.db2.gz UFFRDMMYUMAJRG-IRXDYDNUSA-N 0 0 372.415 3.221 50 10 FGCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccn1 ZINC000001217919 203994544 /nfs/dbraw/zinc/99/45/44/203994544.db2.gz BEIYJBPHPLZIAA-OWBHPGMISA-N 0 0 369.471 3.312 50 10 FGCARN Cc1cc(-c2csc(N=CC3C(=O)OC(C)(C)OC3=O)n2)ccc1F ZINC000002543500 204043926 /nfs/dbraw/zinc/04/39/26/204043926.db2.gz PRSIMLRFBUKJSU-UHFFFAOYSA-N 0 0 362.382 3.390 50 10 FGCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1 ZINC000004263475 204130476 /nfs/dbraw/zinc/13/04/76/204130476.db2.gz SBKSRWZGDQYFIB-GXDHUFHOSA-N 0 0 374.443 3.215 50 10 FGCARN CC(C)N1C(=O)C(=CNc2ccc(F)cc2)C(=O)N(Cc2ccco2)C1=O ZINC000005822985 204227304 /nfs/dbraw/zinc/22/73/04/204227304.db2.gz UVDAFSZEISEISM-MHWRWJLKSA-N 0 0 371.368 3.114 50 10 FGCARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 ZINC000009188744 204356714 /nfs/dbraw/zinc/35/67/14/204356714.db2.gz XXUCQJYDCRRZDL-GDNBJRDFSA-N 0 0 370.455 3.247 50 10 FGCARN Cn1ccnc1[C@@H](NC(=O)CSc1nccs1)c1ccccc1F ZINC000032932263 204948683 /nfs/dbraw/zinc/94/86/83/204948683.db2.gz CSOKFFUWXSXJEF-AWEZNQCLSA-N 0 0 362.455 3.014 50 10 FGCARN Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1cccc(F)c1 ZINC000056636770 205231950 /nfs/dbraw/zinc/23/19/50/205231950.db2.gz SSJBPGRXIRTKDH-UHFFFAOYSA-N 0 0 358.413 3.212 50 10 FGCARN COc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000002846269 132277004 /nfs/dbraw/zinc/27/70/04/132277004.db2.gz PGRUGVPJDYGBSU-UHFFFAOYSA-N 0 0 365.227 3.013 50 10 FGCARN COC(=O)C1=CN(c2cccc(C)c2C)c2ccc(F)cc2S1(=O)=O ZINC000064979223 136134304 /nfs/dbraw/zinc/13/43/04/136134304.db2.gz CPTDYZQOEINMJM-UHFFFAOYSA-N 0 0 361.394 3.382 50 10 FGCARN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000072115385 136141921 /nfs/dbraw/zinc/14/19/21/136141921.db2.gz CCUVXFSFEFLONV-SJORKVTESA-N 0 0 354.450 3.168 50 10 FGCARN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000072117397 136141938 /nfs/dbraw/zinc/14/19/38/136141938.db2.gz XZRDGQXIXXPHAQ-JKSUJKDBSA-N 0 0 372.440 3.307 50 10 FGCARN Cc1nccnc1N1CCc2[nH]nc(-c3ccc(C(F)(F)F)nc3C)c2C1 ZINC000023231988 136152375 /nfs/dbraw/zinc/15/23/75/136152375.db2.gz MTGSAYCBMWOTDB-UHFFFAOYSA-N 0 0 374.370 3.460 50 10 FGCARN CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000000715192 493770150 /nfs/dbraw/zinc/77/01/50/493770150.db2.gz FRQCSLRBAMASTQ-SUMWQHHRSA-N 0 0 359.470 3.358 50 10 FGCARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000000843348 493776443 /nfs/dbraw/zinc/77/64/43/493776443.db2.gz HJFKQBGVHYOVDS-UHFFFAOYSA-N 0 0 353.447 3.466 50 10 FGCARN CN1c2ccc(Br)cc2[C@]2(NN=C(c3ccccc3)S2)C1=O ZINC000000870179 493776762 /nfs/dbraw/zinc/77/67/62/493776762.db2.gz GEXAYXAKZPOPPW-MRXNPFEDSA-N 0 0 374.263 3.277 50 10 FGCARN COc1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001091727 493785054 /nfs/dbraw/zinc/78/50/54/493785054.db2.gz IVMPAPDZDMUIIY-PFONDFGASA-N 0 0 368.439 3.423 50 10 FGCARN CCOC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC000004167854 493867164 /nfs/dbraw/zinc/86/71/64/493867164.db2.gz IGBFUVCLSYEORF-CQSZACIVSA-N 0 0 363.413 3.242 50 10 FGCARN CCOC(=O)[C@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC000004167856 493867376 /nfs/dbraw/zinc/86/73/76/493867376.db2.gz IGBFUVCLSYEORF-AWEZNQCLSA-N 0 0 363.413 3.242 50 10 FGCARN O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)NCc1ccco1 ZINC000029922774 493867458 /nfs/dbraw/zinc/86/74/58/493867458.db2.gz BRFHLRALILNAEM-UHFFFAOYSA-N 0 0 354.328 3.247 50 10 FGCARN CC(=O)N(C)c1ccc(N2CCCCC2)c2c1C(=O)c1ccccc1C2=O ZINC000004981626 493905996 /nfs/dbraw/zinc/90/59/96/493905996.db2.gz GPKWIERQSLLQEH-UHFFFAOYSA-N 0 0 362.429 3.435 50 10 FGCARN O=C(NCc1ccc(N2CCCC2)cc1)c1cncc(Br)c1 ZINC000032914714 494027681 /nfs/dbraw/zinc/02/76/81/494027681.db2.gz SJFNIOQGSLDWIK-UHFFFAOYSA-N 0 0 360.255 3.374 50 10 FGCARN CCOC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000036007028 494083332 /nfs/dbraw/zinc/08/33/32/494083332.db2.gz WOHBAKBGVKUKMH-HXUWFJFHSA-N 0 0 354.450 3.122 50 10 FGCARN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)cc1 ZINC000016605990 494396374 /nfs/dbraw/zinc/39/63/74/494396374.db2.gz CUVIHNHFLZYMSU-KRWDZBQOSA-N 0 0 354.450 3.120 50 10 FGCARN COc1cc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)cc(OC)c1OC ZINC000095946137 494991319 /nfs/dbraw/zinc/99/13/19/494991319.db2.gz CQBPLXZJWZPDTJ-INIZCTEOSA-N 0 0 370.405 3.116 50 10 FGCARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCc1ccncc1 ZINC000100163410 495063846 /nfs/dbraw/zinc/06/38/46/495063846.db2.gz XPPGFBAVTJPAOD-GHRIWEEISA-N 0 0 365.393 3.166 50 10 FGCARN O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCCC1 ZINC000363187337 498694111 /nfs/dbraw/zinc/69/41/11/498694111.db2.gz LGIYBTKWWJRUIS-ZDUSSCGKSA-N 0 0 357.376 3.217 50 10 FGCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCn1cccn1 ZINC000604419009 506825381 /nfs/dbraw/zinc/82/53/81/506825381.db2.gz HWBUYPREANPVGH-UHFFFAOYSA-N 0 0 355.397 3.500 50 10 FGCARN CCN(CC)c1ccc(CNC(=O)CN2Cc3ccccc3C2)cc1F ZINC000089969106 520897825 /nfs/dbraw/zinc/89/78/25/520897825.db2.gz ZCUHVGFXKNOBCU-UHFFFAOYSA-N 0 0 355.457 3.304 50 10 FGCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@H]3C)c2C)cc1 ZINC000020833574 521933435 /nfs/dbraw/zinc/93/34/35/521933435.db2.gz AZSHZANJQABXKG-SJKOYZFVSA-N 0 0 369.417 3.263 50 10 FGCARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000001161132 219384055 /nfs/dbraw/zinc/38/40/55/219384055.db2.gz PVSQWYLRCYCHCK-GDNBJRDFSA-N 0 0 368.345 3.061 50 10 FGCARN CCOc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)NC2=S)cc1 ZINC000002251892 204030159 /nfs/dbraw/zinc/03/01/59/204030159.db2.gz AIDAOLPHOONJCJ-AQTBWJFISA-N 0 0 367.474 3.414 50 10 FGCARN O=c1/c(=C\c2ccc(N3CCCCC3)cc2)sc2nc3ccccc3n12 ZINC000004472031 204139284 /nfs/dbraw/zinc/13/92/84/204139284.db2.gz SFWHSRXGBVNWND-XMHGGMMESA-N 0 0 361.470 3.447 50 10 FGCARN CCCOc1cc(/C=C2\C(=O)NC(C)=C2C(=O)OCC)ccc1OCC ZINC000005022968 204185264 /nfs/dbraw/zinc/18/52/64/204185264.db2.gz GCNNXEMZQKLHRO-PTNGSMBKSA-N 0 0 359.422 3.224 50 10 FGCARN Cc1cc(C(=O)COc2ccc(-n3cnnn3)cc2)c(C)n1-c1ccccc1 ZINC000005934941 204230940 /nfs/dbraw/zinc/23/09/40/204230940.db2.gz HBWOKIFLUZIEEF-UHFFFAOYSA-N 0 0 373.416 3.332 50 10 FGCARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(O)cc2O)NC(=O)N1 ZINC000005943919 204232358 /nfs/dbraw/zinc/23/23/58/204232358.db2.gz IUCUUIPLHOOAJM-INIZCTEOSA-N 0 0 373.796 3.018 50 10 FGCARN Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000007986059 204312712 /nfs/dbraw/zinc/31/27/12/204312712.db2.gz VOVQTLMOCOBDQP-UHFFFAOYSA-N 0 0 369.417 3.391 50 10 FGCARN COc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1O ZINC000009322432 204363370 /nfs/dbraw/zinc/36/33/70/204363370.db2.gz QSCBDOWAONGNGZ-YJYMSZOUSA-N 0 0 354.406 3.146 50 10 FGCARN COc1cccc(-n2c(C)cc(C(=O)Cn3c(C)ncc3[N+](=O)[O-])c2C)c1 ZINC000009421207 204366741 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COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)cc1 ZINC000006044728 493949953 /nfs/dbraw/zinc/94/99/53/493949953.db2.gz HFIBBCJXBRXUHR-QGZVFWFLSA-N 0 0 354.450 3.120 50 10 FGCARN COc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000066091765 494274995 /nfs/dbraw/zinc/27/49/95/494274995.db2.gz QBUGKSAZBYARBE-QGZVFWFLSA-N 0 0 370.405 3.116 50 10 FGCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000015011642 494333836 /nfs/dbraw/zinc/33/38/36/494333836.db2.gz ZNWYGQPSLZVNHI-RIYZIHGNSA-N 0 0 374.399 3.412 50 10 FGCARN C[C@H]1Sc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2NC1=O ZINC000018214880 494429802 /nfs/dbraw/zinc/42/98/02/494429802.db2.gz HMFREPGHGCJCIX-GFCCVEGCSA-N 0 0 355.463 3.115 50 10 FGCARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000020111162 494467531 /nfs/dbraw/zinc/46/75/31/494467531.db2.gz AKEBJLCBLVMHQM-UHFFFAOYSA-N 0 0 367.401 3.307 50 10 FGCARN Oc1c([C@H](c2ccncc2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000021486922 494496993 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CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(O)c(OCC)c3)C2=N)S1 ZINC000003864075 209409732 /nfs/dbraw/zinc/40/97/32/209409732.db2.gz DBGBEBQMGHWNOO-NGRIUPPZSA-N 0 0 358.423 3.210 50 10 FGCARN COC(=O)C1=C(C)N[C@H](c2c(O)ccc3ccccc32)C(C(=O)OC)=C1C ZINC000100245034 209360336 /nfs/dbraw/zinc/36/03/36/209360336.db2.gz CEQKYXRUKRQKBZ-IBGZPJMESA-N 0 0 367.401 3.126 50 10 FGCARN COc1ccccc1C=C1SC(=S)N(Nc2nc(C)cc(C)n2)C1=O ZINC000001201910 206866960 /nfs/dbraw/zinc/86/69/60/206866960.db2.gz YWDAARKZWPIJRZ-ZROIWOOFSA-N 0 0 372.475 3.330 50 10 FGCARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000004703276 207040382 /nfs/dbraw/zinc/04/03/82/207040382.db2.gz KOFNOGLVXVUDGT-UHFFFAOYSA-N 0 0 365.433 3.145 50 10 FGCARN COC(=O)CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000004860304 207056150 /nfs/dbraw/zinc/05/61/50/207056150.db2.gz PMQYPUDRJMXBKG-SDNWHVSQSA-N 0 0 365.476 3.327 50 10 FGCARN CCc1ccc(-c2nc(SCC(=O)c3ccc(O)c(O)c3)n[nH]2)cc1 ZINC000005179646 207086272 /nfs/dbraw/zinc/08/62/72/207086272.db2.gz 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COc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 ZINC000018094225 207628372 /nfs/dbraw/zinc/62/83/72/207628372.db2.gz ZAVLTADQSNIAHB-UHFFFAOYSA-N 0 0 350.403 3.490 50 10 FGCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000018190247 207630681 /nfs/dbraw/zinc/63/06/81/207630681.db2.gz XIAIRMJFNHYTJU-WQRHYEAKSA-N 0 0 350.418 3.363 50 10 FGCARN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000045881118 208339638 /nfs/dbraw/zinc/33/96/38/208339638.db2.gz DGHYXBNBXNDFEF-KRWDZBQOSA-N 0 0 374.506 3.134 50 10 FGCARN COc1ccc(N2CCN(C(=O)c3ccc(-c4cccnc4)nc3)CC2)cc1 ZINC000096373277 132225298 /nfs/dbraw/zinc/22/52/98/132225298.db2.gz BPIXTNVMSLCXDF-UHFFFAOYSA-N 0 0 374.444 3.115 50 10 FGCARN COc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1OC ZINC000054035545 136124984 /nfs/dbraw/zinc/12/49/84/136124984.db2.gz WEOAVEFAKGOGBH-UHFFFAOYSA-N 0 0 372.490 3.187 50 10 FGCARN C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000056269778 136127627 /nfs/dbraw/zinc/12/76/27/136127627.db2.gz 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FGCARN CC(C)c1noc(CCCC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000052807147 494063277 /nfs/dbraw/zinc/06/32/77/494063277.db2.gz KBQMOBWHTZYPID-UHFFFAOYSA-N 0 0 356.470 3.432 50 10 FGCARN Oc1ccccc1CN1CCc2nc[nH]c2[C@H]1c1cnc(-c2ccco2)nc1 ZINC000072171666 494142800 /nfs/dbraw/zinc/14/28/00/494142800.db2.gz JLKVCEGPRYATGZ-HXUWFJFHSA-N 0 0 373.416 3.313 50 10 FGCARN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000012817582 494262222 /nfs/dbraw/zinc/26/22/22/494262222.db2.gz NAFCLNFQZINLLC-XLIONFOSSA-N 0 0 351.450 3.498 50 10 FGCARN COc1ccccc1-c1onc(C)c1C(=O)NCCc1ccc(N)cc1 ZINC000022660336 494530524 /nfs/dbraw/zinc/53/05/24/494530524.db2.gz FINJOXLJEBNHSH-UHFFFAOYSA-N 0 0 351.406 3.213 50 10 FGCARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cn2nc(Cl)ccc2n1 ZINC000097938960 495046069 /nfs/dbraw/zinc/04/60/69/495046069.db2.gz NRVOEBJHTNOELP-UHFFFAOYSA-N 0 0 369.856 3.303 50 10 FGCARN CC(NCc1cccnc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000101152986 495067502 /nfs/dbraw/zinc/06/75/02/495067502.db2.gz 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CCCn1cc(C=C2C(=O)NC(=S)N([C@@H](C)CC)C2=O)c2ccccc21 ZINC000013842511 211063677 /nfs/dbraw/zinc/06/36/77/211063677.db2.gz YZYAGQXBJPBSTH-RERGGYADSA-N 0 0 369.490 3.477 50 10 FGCARN CCN1C(=O)/C(=C\c2cc(Br)cc(OC)c2O)SC1=S ZINC000005017578 210591492 /nfs/dbraw/zinc/59/14/92/210591492.db2.gz XCXMDMYJHGEQAC-BJMVGYQFSA-N 0 0 374.281 3.384 50 10 FGCARN CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC000004933325 210581264 /nfs/dbraw/zinc/58/12/64/210581264.db2.gz MAHDJDXJGAAVDA-GXDHUFHOSA-N 0 0 362.451 3.131 50 10 FGCARN O=C1C(=Cc2c[nH]nc2-c2ccccc2)SC(=S)N1C[C@H]1CCCO1 ZINC000001164524 210327661 /nfs/dbraw/zinc/32/76/61/210327661.db2.gz ZBQHGRIEBQRDNG-WJQTUHTMSA-N 0 0 371.487 3.457 50 10 FGCARN CCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)SC1=S ZINC000001188738 210332272 /nfs/dbraw/zinc/33/22/72/210332272.db2.gz PBBNLZHFCUAHHX-WCIBSUBMSA-N 0 0 372.265 3.399 50 10 FGCARN COC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000001126540 210320862 /nfs/dbraw/zinc/32/08/62/210320862.db2.gz 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ZINC000013689621 211050120 /nfs/dbraw/zinc/05/01/20/211050120.db2.gz OAGJKPIQYATPGU-MLJKTZRHSA-N 0 0 365.476 3.084 50 10 FGCARN COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c1 ZINC000013689600 211050916 /nfs/dbraw/zinc/05/09/16/211050916.db2.gz XCEKXFREMYNPGQ-PTNGSMBKSA-N 0 0 370.455 3.241 50 10 FGCARN COC(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000013583838 211041727 /nfs/dbraw/zinc/04/17/27/211041727.db2.gz JPSMNJHLFQDYGH-ZROIWOOFSA-N 0 0 359.428 3.468 50 10 FGCARN O=c1/c(=C\c2ccc(N3CCCC3)c(F)c2)sc2nc3ccccc3n12 ZINC000004516836 210536182 /nfs/dbraw/zinc/53/61/82/210536182.db2.gz RLZLUCFBTYEHOM-LDADJPATSA-N 0 0 365.433 3.196 50 10 FGCARN CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000002250740 210387307 /nfs/dbraw/zinc/38/73/07/210387307.db2.gz OBAWDHOMHDEANX-KAMYIIQDSA-N 0 0 365.476 3.240 50 10 FGCARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1C ZINC000001185952 210331610 /nfs/dbraw/zinc/33/16/10/210331610.db2.gz KCHIZPQLEULRNX-UHFFFAOYSA-N 0 0 367.474 3.001 50 10 FGCARN 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Cc1cnc2c(cccc2S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000029339329 493834625 /nfs/dbraw/zinc/83/46/25/493834625.db2.gz TXROJNQPOQTUPJ-UHFFFAOYSA-N 0 0 369.490 3.430 50 10 FGCARN O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1O)c1ccccc1 ZINC000003641553 493856609 /nfs/dbraw/zinc/85/66/09/493856609.db2.gz WRRVPECGCFOMPX-LJQANCHMSA-N 0 0 359.385 3.304 50 10 FGCARN O=C1c2ccccc2-c2onc3c2c1c(NCCO)cc3Br ZINC000004718014 493889261 /nfs/dbraw/zinc/88/92/61/493889261.db2.gz PSGYFPDMZTUFML-UHFFFAOYSA-N 0 0 359.179 3.206 50 10 FGCARN CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl ZINC000004723751 493890339 /nfs/dbraw/zinc/89/03/39/493890339.db2.gz NFXMAPUGUCCZAN-SNVBAGLBSA-N 0 0 366.870 3.116 50 10 FGCARN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1 ZINC000004745380 493891003 /nfs/dbraw/zinc/89/10/03/493891003.db2.gz CCLKQAYCPBONPI-XYOKQWHBSA-N 0 0 352.506 3.008 50 10 FGCARN COCCCN1C(=O)/C(=C/c2ccc(SC)cc2)C(C(=O)OC)=C1C ZINC000004860443 493897096 /nfs/dbraw/zinc/89/70/96/493897096.db2.gz 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CC1CCN(c2ccc(CNc3nc4ccncc4n(C)c3=O)cc2)CC1 ZINC000097151834 495024806 /nfs/dbraw/zinc/02/48/06/495024806.db2.gz VUYNXLYKIBUSDS-UHFFFAOYSA-N 0 0 363.465 3.177 50 10 FGCARN COC(=O)N(C)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000083854290 523422003 /nfs/dbraw/zinc/42/20/03/523422003.db2.gz ABVMPRCYZNTVOP-UHFFFAOYSA-N 0 0 356.426 3.277 50 10 FGCARN COc1ccc(N2CCN(C(=O)c3ncc(F)cc3F)CC2(C)C)cc1 ZINC000091650052 536690736 /nfs/dbraw/zinc/69/07/36/536690736.db2.gz YGFHVEJXTUBTJN-UHFFFAOYSA-N 0 0 361.392 3.109 50 10 FGCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000101113865 570816722 /nfs/dbraw/zinc/81/67/22/570816722.db2.gz NVBIMFLUMVDHDN-NTEUORMPSA-N 0 0 367.796 3.228 50 10 FGCARN CC(C)n1ncc2cc(NC(=O)NCc3ccc(N(C)C)cc3)cnc21 ZINC000048354884 570950524 /nfs/dbraw/zinc/95/05/24/570950524.db2.gz XRMIILGEDMMYEK-UHFFFAOYSA-N 0 0 352.442 3.400 50 10 FGCARN Cc1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000084081389 571070277 /nfs/dbraw/zinc/07/02/77/571070277.db2.gz 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