smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1CCCN(c2ccccn2)C1)C1(N2CCOCC2)CCCCC1 ZINC000218206808 136203688 /nfs/dbraw/zinc/20/36/88/136203688.db2.gz XGUHNUDXPWUGLW-LJQANCHMSA-N 0 0 386.540 2.449 50 70 GEIARN Cc1nnc([C@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)[nH]1 ZINC000217198188 570313643 /nfs/dbraw/zinc/31/36/43/570313643.db2.gz UVZXBSYBRSGOHZ-NSHDSACASA-N 0 0 375.860 2.496 50 70 GEIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000218422961 570333987 /nfs/dbraw/zinc/33/39/87/570333987.db2.gz FSEBLPLESYLDHA-CQSZACIVSA-N 0 0 383.360 2.114 50 70 GEIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000218479590 570335113 /nfs/dbraw/zinc/33/51/13/570335113.db2.gz MYMKDISZWBPOBO-KGVIQGDOSA-N 0 0 388.508 2.411 50 70 GEIARN Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1ccc(Br)s1 ZINC000217943676 570491784 /nfs/dbraw/zinc/49/17/84/570491784.db2.gz GOWCLXRUTRRCOT-JTQLQIEISA-N 0 0 379.301 2.251 50 70 GEIARN COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000218009761 205942927 /nfs/dbraw/zinc/94/29/27/205942927.db2.gz QNEXMEREVYOTQZ-FQEVSTJZSA-N 0 0 389.473 2.400 50 70 GEIARN O=C(c1ccccc1Br)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217614193 136203339 /nfs/dbraw/zinc/20/33/39/136203339.db2.gz OYDBSIWXTNZUIJ-UHFFFAOYSA-N 0 0 389.253 2.232 50 70 GEIARN Cc1[nH]c(=O)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(C)c1Cl ZINC000218375902 570332703 /nfs/dbraw/zinc/33/27/03/570332703.db2.gz GXOGAZFYXQJNCA-CHWSQXEVSA-N 0 0 377.828 2.006 50 70 GEIARN Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H](Cn4ccnc4)C3)CC2)c1 ZINC000218385962 136203668 /nfs/dbraw/zinc/20/36/68/136203668.db2.gz HFDGQWDUFCQNGD-FQEVSTJZSA-N 0 0 381.524 2.252 50 70 GEIARN CCc1nnc(N2CCN(S(=O)(=O)c3cccc4cnccc43)[C@@H](C)C2)o1 ZINC000217598638 570318927 /nfs/dbraw/zinc/31/89/27/570318927.db2.gz SSALEWXYIKNRSB-ZDUSSCGKSA-N 0 0 387.465 2.080 50 70 GEIARN CCn1c2ccccc2nc1SCCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000217959705 570323087 /nfs/dbraw/zinc/32/30/87/570323087.db2.gz GPIXPWNUUCXKQC-CYBMUJFWSA-N 0 0 381.523 2.089 50 70 GEIARN COC(=O)[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(C)C ZINC000218371027 570332690 /nfs/dbraw/zinc/33/26/90/570332690.db2.gz GMXAKGFWWAKFES-NRFANRHFSA-N 0 0 393.443 2.377 50 70 GEIARN O=C(CCN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000218647368 570338597 /nfs/dbraw/zinc/33/85/97/570338597.db2.gz MUYMHLVTAOZZJR-QZTJIDSGSA-N 0 0 378.444 2.271 50 70 GEIARN COc1ccc(Br)c(C(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)c1 ZINC000217782857 570418529 /nfs/dbraw/zinc/41/85/29/570418529.db2.gz HDTGQVMDOLODGR-VIFPVBQESA-N 0 0 399.266 2.368 50 70 GEIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1c[nH]c(=O)c(Cl)c1 ZINC000218284031 570819081 /nfs/dbraw/zinc/81/90/81/570819081.db2.gz HXSUWBQSXIZIMZ-CYBMUJFWSA-N 0 0 386.795 2.317 50 70 GEIARN COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc1 ZINC000218565867 570928667 /nfs/dbraw/zinc/92/86/67/570928667.db2.gz YEDHAPMRIYCBJT-QGZVFWFLSA-N 0 0 393.443 2.245 50 70 GEIARN O=C1CCC(=O)N1C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1Cl ZINC000217766817 205941154 /nfs/dbraw/zinc/94/11/54/205941154.db2.gz KBWMVJOCJRZJAR-FUNVUKJBSA-N 0 0 382.869 2.173 50 70 GEIARN COc1ccc(-c2cc(C(=O)N[C@H](CO)Cc3ccccc3)n(C)n2)c(OC)c1 ZINC000218296497 205947472 /nfs/dbraw/zinc/94/74/72/205947472.db2.gz SNEPGJNLBVOBBV-INIZCTEOSA-N 0 0 395.459 2.438 50 70 GEIARN CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)Cc3c(F)cccc3Cl)C2)n1C ZINC000218117247 570325747 /nfs/dbraw/zinc/32/57/47/570325747.db2.gz HMAWHXDGXITHSQ-TXEJJXNPSA-N 0 0 379.867 2.274 50 70 GEIARN CN(C)Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cs1 ZINC000218142839 570325935 /nfs/dbraw/zinc/32/59/35/570325935.db2.gz WIIQBDCWSAABFJ-GDBMZVCRSA-N 0 0 379.457 2.310 50 70 GEIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccc(O)cc1 ZINC000218256760 570329189 /nfs/dbraw/zinc/32/91/89/570329189.db2.gz OTBCQRMCZIMMAD-UHFFFAOYSA-N 0 0 387.461 2.077 50 70 GEIARN O=C(CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1)NCc1ccco1 ZINC000218272749 570329556 /nfs/dbraw/zinc/32/95/56/570329556.db2.gz WBWZZHOQFJCPSC-OAQYLSRUSA-N 0 0 380.448 2.080 50 70 GEIARN COCCn1c(CNC(=O)c2cc(=O)[nH]c3ccccc32)nc2ccccc21 ZINC000218300807 570330883 /nfs/dbraw/zinc/33/08/83/570330883.db2.gz XXQNXVFONBBSEG-UHFFFAOYSA-N 0 0 376.416 2.454 50 70 GEIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccccc21 ZINC000218471980 570335117 /nfs/dbraw/zinc/33/51/17/570335117.db2.gz RVEAGHLKNZRGGM-KRWDZBQOSA-N 0 0 394.431 2.251 50 70 GEIARN COCCn1c(C)cc(C)c(C(=O)N[C@@H](c2nccn2C)c2ccccc2)c1=O ZINC000218488622 570335221 /nfs/dbraw/zinc/33/52/21/570335221.db2.gz CDSPHSQCHHUDDD-LJQANCHMSA-N 0 0 394.475 2.364 50 70 GEIARN COCCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2nc3ccccc3n2C)c1=O ZINC000218476735 205949707 /nfs/dbraw/zinc/94/97/07/205949707.db2.gz CRUHIQMZVNKMHQ-HNNXBMFYSA-N 0 0 382.464 2.489 50 70 GEIARN O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217795373 205942075 /nfs/dbraw/zinc/94/20/75/205942075.db2.gz HGMZKBDQLIMBHS-GFCCVEGCSA-N 0 0 383.383 2.054 50 70 GEIARN Cc1ccc2cccc(C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)c2n1 ZINC000217611430 136203334 /nfs/dbraw/zinc/20/33/34/136203334.db2.gz FNUWBGJCIJAXFG-UHFFFAOYSA-N 0 0 375.432 2.326 50 70 GEIARN Cn1nnc(-c2cccc(NC(=O)C3CCN(c4ccc(Cl)nn4)CC3)c2)n1 ZINC000218295623 136203736 /nfs/dbraw/zinc/20/37/36/136203736.db2.gz NWVJBJBDTFAJDG-UHFFFAOYSA-N 0 0 398.858 2.176 50 70 GEIARN CSCC[C@H](NC(=O)c1cnc2ccnn2c1C)c1nnc2ccccn21 ZINC000218451931 570334400 /nfs/dbraw/zinc/33/44/00/570334400.db2.gz CSLMSIHIHDCAMD-AWEZNQCLSA-N 0 0 381.465 2.305 50 70 GEIARN COc1ccc2c(ccn2CCNC(=O)CCCn2c(C)cc(C)nc2=O)c1 ZINC000218469194 570335299 /nfs/dbraw/zinc/33/52/99/570335299.db2.gz ZAYNGZVEIDNOGL-UHFFFAOYSA-N 0 0 382.464 2.420 50 70 GEIARN CC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1cn2cccnc2n1 ZINC000217116662 205935988 /nfs/dbraw/zinc/93/59/88/205935988.db2.gz RXRUORLLBWUXPF-HNNXBMFYSA-N 0 0 376.420 2.097 50 70 GEIARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000217568497 205938302 /nfs/dbraw/zinc/93/83/02/205938302.db2.gz UZSRTMOSSZNYNC-SNVBAGLBSA-N 0 0 394.312 2.118 50 70 GEIARN COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(OC)c(OC)c2OC)C1 ZINC000217560700 205938952 /nfs/dbraw/zinc/93/89/52/205938952.db2.gz OCFKXHHNGKJENO-CQSZACIVSA-N 0 0 397.493 2.152 50 70 GEIARN COCCn1c(CCNC(=O)c2c[nH]c(=O)c3ccccc23)nc2ccccc21 ZINC000218560705 205949607 /nfs/dbraw/zinc/94/96/07/205949607.db2.gz YIZJXXMHYJEJFA-UHFFFAOYSA-N 0 0 390.443 2.497 50 70 GEIARN COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCc3ccccn3)CS[C@@H]21 ZINC000218555539 205949942 /nfs/dbraw/zinc/94/99/42/205949942.db2.gz BDCAOMXGNWHFGB-VLIAUNLRSA-N 0 0 399.472 2.028 50 70 GEIARN CCc1nc(C)sc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 ZINC000218079460 205944141 /nfs/dbraw/zinc/94/41/41/205944141.db2.gz YWRSSFPTVDYGGO-IAGOWNOFSA-N 0 0 376.478 2.473 50 70 GEIARN O=C(c1ccc(OC(F)(F)F)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217610054 136203291 /nfs/dbraw/zinc/20/32/91/136203291.db2.gz COAKUQNSHYZEBR-UHFFFAOYSA-N 0 0 394.353 2.368 50 70 GEIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cc2c(c(Cl)c1)OCO2 ZINC000218124052 570325589 /nfs/dbraw/zinc/32/55/89/570325589.db2.gz KWVKLAILXQDVBQ-VIFPVBQESA-N 0 0 391.763 2.375 50 70 GEIARN COCCn1c(CNC(=O)[C@H](C)N2Cc3ccccc3C2=O)nc2ccccc21 ZINC000218132166 570325721 /nfs/dbraw/zinc/32/57/21/570325721.db2.gz ZQKVSCHVJYJCFZ-HNNXBMFYSA-N 0 0 392.459 2.343 50 70 GEIARN COc1ccc2c(ccn2CCNC(=O)Cn2cnc3ccsc3c2=O)c1 ZINC000218233377 570328815 /nfs/dbraw/zinc/32/88/15/570328815.db2.gz HKLWZEYEAZTWDH-UHFFFAOYSA-N 0 0 382.445 2.238 50 70 GEIARN COc1ccc2c(ccn2CCNC(=O)CCN2C(=O)CC3(CCCC3)C2=O)c1 ZINC000218300514 570330848 /nfs/dbraw/zinc/33/08/48/570330848.db2.gz VGDIDAACVSBDBC-UHFFFAOYSA-N 0 0 397.475 2.476 50 70 GEIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000218479674 570335292 /nfs/dbraw/zinc/33/52/92/570335292.db2.gz MYMKDISZWBPOBO-SPEDKVCISA-N 0 0 388.508 2.411 50 70 GEIARN COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCc3ccncc3)CS[C@@H]21 ZINC000218600279 570337297 /nfs/dbraw/zinc/33/72/97/570337297.db2.gz FNEXFTDCWDZFOM-VLIAUNLRSA-N 0 0 399.472 2.028 50 70 GEIARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3ccncc3)CS[C@@H]21 ZINC000218600435 570337350 /nfs/dbraw/zinc/33/73/50/570337350.db2.gz FNEXFTDCWDZFOM-XOBRGWDASA-N 0 0 399.472 2.028 50 70 GEIARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)NCCc1ccncc1 ZINC000218600203 570337466 /nfs/dbraw/zinc/33/74/66/570337466.db2.gz FNEXFTDCWDZFOM-JLTOFOAXSA-N 0 0 399.472 2.028 50 70 GEIARN COc1c[nH]c(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cc1=O ZINC000218683070 570339222 /nfs/dbraw/zinc/33/92/22/570339222.db2.gz LSNBGUDOYGDPLC-IELXDLANSA-N 0 0 379.416 2.174 50 70 GEIARN COc1cccc2c1ccn2CCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000218266653 570818872 /nfs/dbraw/zinc/81/88/72/570818872.db2.gz BVIXTSABJMRFTI-IBGZPJMESA-N 0 0 390.447 2.237 50 70 GEIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000218265100 570818890 /nfs/dbraw/zinc/81/88/90/570818890.db2.gz BYRMPOYNTATCBO-ROUUACIJSA-N 0 0 397.431 2.080 50 70 GEIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000218312261 570819998 /nfs/dbraw/zinc/81/99/98/570819998.db2.gz ADNFFYPBDGKJDB-OALUTQOASA-N 0 0 393.443 2.097 50 70 GEIARN O=C(CCc1nc(-c2ccco2)no1)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000218334416 205948179 /nfs/dbraw/zinc/94/81/79/205948179.db2.gz NKJLBEYCDAOSLH-GDBMZVCRSA-N 0 0 375.425 2.353 50 70 GEIARN COc1ccc(Br)c(C(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)c1 ZINC000217782951 205942180 /nfs/dbraw/zinc/94/21/80/205942180.db2.gz HDTGQVMDOLODGR-SECBINFHSA-N 0 0 399.266 2.368 50 70 GEIARN OC[C@@H](O)c1cc2n(n1)CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000217921513 570322754 /nfs/dbraw/zinc/32/27/54/570322754.db2.gz OGWMUQUAFQOTDV-GOSISDBHSA-N 0 0 375.856 2.244 50 70 GEIARN COc1ccc(NC(=O)CCc2c(C)[nH]c3c4ccccc4nn3c2=O)cn1 ZINC000218476238 570335088 /nfs/dbraw/zinc/33/50/88/570335088.db2.gz IEKRVFNZQGMOIY-UHFFFAOYSA-N 0 0 377.404 2.459 50 70 GEIARN CC1=C(C(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@@H]2C)SC2=NCCN12 ZINC000218729800 570339718 /nfs/dbraw/zinc/33/97/18/570339718.db2.gz IRBHIBVRZZWLLG-HNNXBMFYSA-N 0 0 384.505 2.204 50 70 GEIARN CCn1cc(C(=O)N2CCc3n[nH]cc3C2)c(=O)c2cc(F)c(F)c(F)c21 ZINC000218204770 205946120 /nfs/dbraw/zinc/94/61/20/205946120.db2.gz OXXFTOCQQBKQLJ-UHFFFAOYSA-N 0 0 376.338 2.360 50 70 GEIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1nc2c(s1)CCCC2 ZINC000218184262 205946458 /nfs/dbraw/zinc/94/64/58/205946458.db2.gz PIXUAYZPNPFGDD-ZDUSSCGKSA-N 0 0 388.449 2.454 50 70 GEIARN COc1ccc2c(ccn2CCNC(=O)CCc2c(C)nc3ncnn3c2C)c1 ZINC000218516179 570335854 /nfs/dbraw/zinc/33/58/54/570335854.db2.gz AEZDQFPEECMZON-UHFFFAOYSA-N 0 0 392.463 2.453 50 70 GEIARN CC[C@@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000218749174 570340342 /nfs/dbraw/zinc/34/03/42/570340342.db2.gz HTHLNSFOJQBJIQ-SFHVURJKSA-N 0 0 384.480 2.339 50 70 GEIARN COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000217568579 570343733 /nfs/dbraw/zinc/34/37/33/570343733.db2.gz UZSRTMOSSZNYNC-JTQLQIEISA-N 0 0 394.312 2.118 50 70 GEIARN COCCn1cnc2ccc(NC(=O)c3n[nH]c4c3CCCCC4)cc2c1=O ZINC000218261631 570818907 /nfs/dbraw/zinc/81/89/07/570818907.db2.gz VUAGGVGVUQYWOT-UHFFFAOYSA-N 0 0 381.436 2.287 50 70 GEIARN O=C(c1ccccc1Br)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217732555 208830580 /nfs/dbraw/zinc/83/05/80/208830580.db2.gz AJLMPXZMGAUQCV-CHWSQXEVSA-N 0 0 389.249 2.225 50 70 GEIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1c[nH]c(=O)c(Cl)c1 ZINC000218283966 208834507 /nfs/dbraw/zinc/83/45/07/208834507.db2.gz HXSUWBQSXIZIMZ-ZDUSSCGKSA-N 0 0 386.795 2.317 50 70 GEIARN COc1ccc(Cc2nc(NC(=O)c3cc(-c4ccccn4)[nH]n3)n[nH]2)cc1 ZINC000218453238 208836066 /nfs/dbraw/zinc/83/60/66/208836066.db2.gz WMMJZNPJDHCTLF-UHFFFAOYSA-N 0 0 375.392 2.442 50 70 GEIARN COc1ccc2c(ccn2CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1 ZINC000218336932 208836076 /nfs/dbraw/zinc/83/60/76/208836076.db2.gz UWWMYPVXBHOIEZ-FQEVSTJZSA-N 0 0 390.447 2.237 50 70 GEIARN 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70 GEIARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3cccn3C)n(C)n2)c1 ZINC000217938579 222584763 /nfs/dbraw/zinc/58/47/63/222584763.db2.gz WAFUXIOEAUMDBZ-IBGZPJMESA-N 0 0 398.463 2.296 50 70 GEIARN O=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000218426740 231031386 /nfs/dbraw/zinc/03/13/86/231031386.db2.gz CGVXIYNANNSYQS-UHFFFAOYSA-N 0 0 375.742 2.122 50 70 GEIARN COC(=O)[C@H](CCSC)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C ZINC000218396128 570333304 /nfs/dbraw/zinc/33/33/04/570333304.db2.gz ZXRYGUFXXQMNHH-ZDUSSCGKSA-N 0 0 378.498 2.425 50 70 GEIARN O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCc1ccccn1 ZINC000218489124 570335233 /nfs/dbraw/zinc/33/52/33/570335233.db2.gz BKRXZSDGXOCTSE-SFHVURJKSA-N 0 0 388.427 2.409 50 70 GEIARN CCN1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1=O ZINC000216637041 222577524 /nfs/dbraw/zinc/57/75/24/222577524.db2.gz PPMVOOWYVBSALW-LJQANCHMSA-N 0 0 382.508 2.168 50 70 GEIARN Cn1nnc2ccc(NC(=O)CC3(n4cccc4)CCSCC3)cc2c1=O ZINC000218242992 222586185 /nfs/dbraw/zinc/58/61/85/222586185.db2.gz HPXXRNONWBCTGA-UHFFFAOYSA-N 0 0 383.477 2.381 50 70 GEIARN O=C(c1cccc(C(F)(F)F)c1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217608884 136203331 /nfs/dbraw/zinc/20/33/31/136203331.db2.gz NJSDPDHRJRATHW-UHFFFAOYSA-N 0 0 378.354 2.488 50 70 GEIARN O=C(CCCn1ccnc1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000218282385 570329537 /nfs/dbraw/zinc/32/95/37/570329537.db2.gz KRDOCIXAHLNSSO-HXUWFJFHSA-N 0 0 379.464 2.178 50 70 GEIARN C[C@H](C(=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1)n1cnc2ccccc2c1=O ZINC000218439530 570334021 /nfs/dbraw/zinc/33/40/21/570334021.db2.gz NIRKKKSVAJRKSV-GFCCVEGCSA-N 0 0 392.394 2.444 50 70 GEIARN CC[C@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000218749225 570340347 /nfs/dbraw/zinc/34/03/47/570340347.db2.gz HTHLNSFOJQBJIQ-GOSISDBHSA-N 0 0 384.480 2.339 50 70 GEIARN Cn1cnc2cc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)ccc21 ZINC000218407482 222586837 /nfs/dbraw/zinc/58/68/37/222586837.db2.gz NNQUHALSYQIBDE-HNNXBMFYSA-N 0 0 378.432 2.309 50 70 GEIARN COCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)s1 ZINC000218640779 222589667 /nfs/dbraw/zinc/58/96/67/222589667.db2.gz YUPWIXQYYIJPRI-IAGOWNOFSA-N 0 0 377.462 2.353 50 70 GEIARN COc1ccccc1[C@H](CC(N)=O)c1c(Cc2ccc3c(c2)CCO3)[nH][nH]c1=O ZINC000218432463 231031278 /nfs/dbraw/zinc/03/12/78/231031278.db2.gz QEBQDLGMCXSUBG-INIZCTEOSA-N 0 0 393.443 2.245 50 70 GEIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cnn(C)c1)CC(=O)O2 ZINC000217972952 212113059 /nfs/dbraw/zinc/11/30/59/212113059.db2.gz CGRNPQJFMBCMNL-QGZVFWFLSA-N 0 0 379.416 2.280 50 70 GEIARN COc1cccc2cc(C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)oc21 ZINC000217609209 136203320 /nfs/dbraw/zinc/20/33/20/136203320.db2.gz PTMNFXPWMQXWAO-UHFFFAOYSA-N 0 0 380.404 2.224 50 70 GEIARN CCn1c2ccccc2nc1SCCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000217959611 570323017 /nfs/dbraw/zinc/32/30/17/570323017.db2.gz GPIXPWNUUCXKQC-ZDUSSCGKSA-N 0 0 381.523 2.089 50 70 GEIARN