smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1 ZINC000003024892 562931818 /nfs/dbraw/zinc/93/18/18/562931818.db2.gz OHGIOLFLGHEXGE-UHFFFAOYSA-N 0 0 434.445 3.167 3 0 IGAFRN COc1cc(C(=O)Nc2nc(OC)c(-c3ccccc3)c(OC)n2)cc(OC)c1OC ZINC000003201910 562932714 /nfs/dbraw/zinc/93/27/14/562932714.db2.gz YWMOELJWSYNNFR-UHFFFAOYSA-N 0 0 425.441 3.439 3 0 IGAFRN Cc1ccc2nc(COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc(=O)n2c1 ZINC000003428555 562935718 /nfs/dbraw/zinc/93/57/18/562935718.db2.gz PGPXQSUZYLYRPT-UHFFFAOYSA-N 0 0 435.505 3.407 3 0 IGAFRN COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Nc3cccc(OC)c3)nc21 ZINC000004238377 562942830 /nfs/dbraw/zinc/94/28/30/562942830.db2.gz OPXFMFKDCDSXAM-UHFFFAOYSA-N 0 0 431.496 3.370 1 0 IGAFRN COC(=O)/C=C/c1cc2c(c(OC)c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C(=O)OC ZINC000006006614 562945704 /nfs/dbraw/zinc/94/57/04/562945704.db2.gz PSIYZHFYCJVWJB-LKKUEKHWSA-N 0 0 428.437 3.289 1 0 IGAFRN COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc21 ZINC000008016822 562948793 /nfs/dbraw/zinc/94/87/93/562948793.db2.gz QFWMWBPCPSLZSV-CQLNOVPUSA-N 0 0 447.535 3.390 3 0 IGAFRN O=C(CN1CCCN(Cc2ccccc2F)S1(=O)=O)Nc1ccc(F)c(Cl)c1 ZINC000008594270 562952983 /nfs/dbraw/zinc/95/29/83/562952983.db2.gz OCFGAGWBLIZWFV-UHFFFAOYSA-N 0 0 429.876 3.009 1 0 IGAFRN O=S(=O)(c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1)N1CCCC1 ZINC000008670524 562960702 /nfs/dbraw/zinc/96/07/02/562960702.db2.gz NACXHBAQOBJBBU-UHFFFAOYSA-N 0 0 438.509 3.443 3 0 aggregator IGAFRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008672790 562961080 /nfs/dbraw/zinc/96/10/80/562961080.db2.gz YXPQVXIGAQQXOH-IFXJQAMLSA-N 0 0 429.517 3.489 3 0 IGAFRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008672788 562961092 /nfs/dbraw/zinc/96/10/92/562961092.db2.gz YXPQVXIGAQQXOH-AUUYWEPGSA-N 0 0 429.517 3.489 3 0 IGAFRN OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2nnnn2CCc2ccccc2)CC1 ZINC000008828642 562964569 /nfs/dbraw/zinc/96/45/69/562964569.db2.gz GZMZKTXRQHCPON-UHFFFAOYSA-N 0 0 431.462 3.418 3 0 IGAFRN COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000009723121 562976037 /nfs/dbraw/zinc/97/60/37/562976037.db2.gz HEWLLISTLYQZKF-UHFFFAOYSA-N 0 0 442.541 3.486 3 0 IGAFRN COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc4c(c2)OCCO4)C3)nc1 ZINC000011971348 562980008 /nfs/dbraw/zinc/98/00/08/562980008.db2.gz WKMNXRZITJLVGC-SFHVURJKSA-N 0 0 446.459 3.040 1 0 IGAFRN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CC(C)(C)CC(C)(C)C2)cc1OC ZINC000012072769 562980630 /nfs/dbraw/zinc/98/06/30/562980630.db2.gz HABHMJWZKNFKIZ-IBGZPJMESA-N 0 0 445.604 3.115 3 0 IGAFRN CC1(C)S[C@@H]2[C@@H](C(=O)OCc3ccccc3)NC(=O)N2[C@@H]1C(=O)OCc1ccccc1 ZINC000012479010 562982379 /nfs/dbraw/zinc/98/23/79/562982379.db2.gz LPXALDJLBWHJBQ-IPMKNSEASA-N 0 0 440.521 3.087 3 0 IGAFRN C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=O)N(CCO)C3)O2 ZINC000013367869 562985819 /nfs/dbraw/zinc/98/58/19/562985819.db2.gz ZHECNBLIOXZXBL-FVFQVNOOSA-N 0 0 429.557 3.247 1 0 IGAFRN O=c1ccc(-n2cnc3ccccc32)nn1CCCN1CCN(c2ccccc2Cl)CC1 ZINC000013437624 562986034 /nfs/dbraw/zinc/98/60/34/562986034.db2.gz XLYXHBNISMVAHH-UHFFFAOYSA-N 0 0 448.958 3.448 1 0 IGAFRN Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccn1 ZINC000013493141 562990829 /nfs/dbraw/zinc/99/08/29/562990829.db2.gz XEELLDSGGACWLV-UHFFFAOYSA-N 0 0 447.873 3.120 1 0 IGAFRN CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1 ZINC000013589008 562996200 /nfs/dbraw/zinc/99/62/00/562996200.db2.gz GKRZUGLCWFVBRQ-UHFFFAOYSA-N 0 0 441.431 3.097 1 0 IGAFRN COc1cc2c(c(OC)c1OC)-c1ccc(NCCF)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000013650183 562998985 /nfs/dbraw/zinc/99/89/85/562998985.db2.gz SITHSWRYDSRGHI-KRWDZBQOSA-N 0 0 430.476 3.244 1 0 IGAFRN CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](c2csc3ccccc32)[C@H]1CCCO ZINC000013656905 562999417 /nfs/dbraw/zinc/99/94/17/562999417.db2.gz SYQRGPGMLHBYGB-YDIMBITNSA-N 0 0 444.597 3.424 3 0 IGAFRN CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660450 562999554 /nfs/dbraw/zinc/99/95/54/562999554.db2.gz BHMSHEFNEMQWIK-DEOSSOPVSA-N 0 0 437.471 3.376 3 0 IGAFRN CCCc1nc(CO)n2nc(C)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013737993 563002764 /nfs/dbraw/zinc/00/27/64/563002764.db2.gz PHBBPNFSCLBPLB-UHFFFAOYSA-N 0 0 440.511 3.315 1 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cscn1 ZINC000013738817 563002864 /nfs/dbraw/zinc/00/28/64/563002864.db2.gz KPPQFKCMNAJDHF-PMACEKPBSA-N 0 0 425.554 3.331 1 0 IGAFRN CCOC(=O)[C@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 ZINC000013745865 563003866 /nfs/dbraw/zinc/00/38/66/563003866.db2.gz AVVRLCVJYHNDOL-JOCHJYFZSA-N 0 0 435.528 3.466 1 0 IGAFRN CCOC(=O)[C@@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 ZINC000013745863 563003898 /nfs/dbraw/zinc/00/38/98/563003898.db2.gz AVVRLCVJYHNDOL-QFIPXVFZSA-N 0 0 435.528 3.466 1 0 IGAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000013780546 563006489 /nfs/dbraw/zinc/00/64/89/563006489.db2.gz GNALBMXZWTYWAG-NRFANRHFSA-N 0 0 425.916 3.146 1 0 IGAFRN COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000013830919 563011130 /nfs/dbraw/zinc/01/11/30/563011130.db2.gz AUWPSWVHPMLLIK-UFYCRDLUSA-N 0 0 433.913 3.290 1 0 IGAFRN CCCCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000013833701 563011841 /nfs/dbraw/zinc/01/18/41/563011841.db2.gz YBCYKWLFCIPEMH-MOPGFXCFSA-N 0 0 434.533 3.135 1 0 IGAFRN Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc32)cc1Br ZINC000014974443 563016808 /nfs/dbraw/zinc/01/68/08/563016808.db2.gz ZYDLLQQSZLGFKF-UHFFFAOYSA-N 0 0 434.290 3.413 1 0 IGAFRN CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(NS(C)(=O)=O)c23)C1(C)C ZINC000014975848 563016884 /nfs/dbraw/zinc/01/68/84/563016884.db2.gz IMVPJCWCKUNHSI-UHFFFAOYSA-N 0 0 447.601 3.210 1 0 IGAFRN CCn1c2c(c(C)nn2-c2ccc(C)cc2)c(C)c(CCC(=O)NC[C@@H]2CCCO2)c1=O ZINC000015936569 563018887 /nfs/dbraw/zinc/01/88/87/563018887.db2.gz WCTYZDNVGMFVER-FQEVSTJZSA-N 0 0 436.556 3.360 3 0 IGAFRN Fc1ccc([C@@H]2C[C@@H](N3CCN(CCN4CCNC4=S)CC3)c3ccc(F)cc32)cc1 ZINC000022940824 563026823 /nfs/dbraw/zinc/02/68/23/563026823.db2.gz AVOSQJJHXGCJIZ-JTHBVZDNSA-N 0 0 442.579 3.349 1 0 IGAFRN COc1cccc2c(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c21 ZINC000026186658 563029841 /nfs/dbraw/zinc/02/98/41/563029841.db2.gz CPTXZVAIZCMESQ-LAMXGVLKSA-N 0 0 440.588 3.322 1 0 IGAFRN O=C1NCCN1CCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026382158 563031474 /nfs/dbraw/zinc/03/14/74/563031474.db2.gz MYVPKBWFYFYMBK-GMAHTHKFSA-N 0 0 426.511 3.184 1 0 IGAFRN COC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(NS(C)(=O)=O)c(OC)c1 ZINC000026485050 563032352 /nfs/dbraw/zinc/03/23/52/563032352.db2.gz USGOCRZUDREISO-HXUWFJFHSA-N 0 0 429.498 3.262 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000026726253 563035859 /nfs/dbraw/zinc/03/58/59/563035859.db2.gz ZHKOLIRMRROCEX-PRCJDROHSA-N 0 0 442.364 3.186 1 0 IGAFRN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO ZINC000026736124 563036117 /nfs/dbraw/zinc/03/61/17/563036117.db2.gz SWDBTDNRUQLZFB-JZWVFAODSA-N 0 0 440.540 3.007 1 0 IGAFRN NC(=[NH2+])c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)[O-])C3=O)c(C(F)(F)F)c1 ZINC000027302529 563041192 /nfs/dbraw/zinc/04/11/92/563041192.db2.gz YDTUZWIQLFLWAK-LLVKDONJSA-N 0 0 433.386 3.462 1 0 IGAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1 ZINC000027624907 563044578 /nfs/dbraw/zinc/04/45/78/563044578.db2.gz BKFQXBYRMCTGGJ-ICSRJNTNSA-N 0 0 427.570 3.481 1 0 IGAFRN CC(C)OC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1 ZINC000028111998 563050842 /nfs/dbraw/zinc/05/08/42/563050842.db2.gz XMXWLFOGYFIRKF-UHFFFAOYSA-N 0 0 447.499 3.301 1 0 IGAFRN COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028120490 563051014 /nfs/dbraw/zinc/05/10/14/563051014.db2.gz KFVUSZPWUZBAPF-AGQYDFLVSA-N 0 0 434.485 3.058 1 0 in-vivo IGAFRN COc1cc(C(=O)OCCc2scnc2C(=O)Nc2nccs2)cc(OC)c1OC ZINC000028464808 563055289 /nfs/dbraw/zinc/05/52/89/563055289.db2.gz PPNOXAUXXVUMON-UHFFFAOYSA-N 0 0 449.510 3.277 1 0 IGAFRN CCOC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000028522907 563056211 /nfs/dbraw/zinc/05/62/11/563056211.db2.gz RFBGZVOYPOBALZ-JJKFDYOMSA-N 0 0 446.496 3.390 1 0 IGAFRN COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(NCCN2CCOCC2)n1C ZINC000028604102 563059647 /nfs/dbraw/zinc/05/96/47/563059647.db2.gz DVKYDJLLFOSBNV-UHFFFAOYSA-N 0 0 438.503 3.424 1 0 IGAFRN COc1ccc(CCN2C=CC=C3C2=Nc2cc(OC)ccc2S(=O)(=O)N3C)cc1 ZINC000028638839 563059958 /nfs/dbraw/zinc/05/99/58/563059958.db2.gz ZGKBFEWXFORGLH-UHFFFAOYSA-N 0 0 425.510 3.324 1 0 IGAFRN Nc1ncnc2c1ncn2OCCOCP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028769705 563064329 /nfs/dbraw/zinc/06/43/29/563064329.db2.gz JRBQTCBJTOEIDM-UHFFFAOYSA-N 0 0 441.384 3.162 1 0 IGAFRN O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccncc2=O)cc1)c1ccc(Cl)s1 ZINC000028822878 563065779 /nfs/dbraw/zinc/06/57/79/563065779.db2.gz LGQYJYMAFFOQCV-JKSUJKDBSA-N 0 0 442.928 3.028 1 0 IGAFRN COc1ccc(C(c2ccc(OC)cc2)[S@](=O)CC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000028902794 563069243 /nfs/dbraw/zinc/06/92/43/563069243.db2.gz DLBMGJDSMCTQQN-QTEAWJPNSA-N 0 0 431.554 3.339 1 0 IGAFRN CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]3C[C@H](C4=CCOC4=O)O[C@]3(C)CC[C@H]12 ZINC000028955964 563070272 /nfs/dbraw/zinc/07/02/72/563070272.db2.gz GWGVFGBCUMIJFX-HSWPYSAYSA-N 0 0 434.529 3.345 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2c(F)cccc2F)O1 ZINC000028974569 563071441 /nfs/dbraw/zinc/07/14/41/563071441.db2.gz ZVUOMJLSRAHNAK-JYCIKRDWSA-N 0 0 425.332 3.032 1 0 IGAFRN Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000029038111 563071710 /nfs/dbraw/zinc/07/17/10/563071710.db2.gz JJZMAUGBAQWGNV-UNMCSNQZSA-N 0 0 447.645 3.362 1 0 IGAFRN COc1ccc2c(c1)[nH]c(CC=C(C)C)c2C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000029062554 563073806 /nfs/dbraw/zinc/07/38/06/563073806.db2.gz IMRGMOYMPJTNIA-ZEQRLZLVSA-N 0 0 431.536 3.454 1 0 IGAFRN COC(=O)c1cc2c(cc1C(=O)OC)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 ZINC000029123278 563073907 /nfs/dbraw/zinc/07/39/07/563073907.db2.gz RIKHQVOEPDMTHX-UHFFFAOYSA-N 0 0 446.956 3.389 1 0 IGAFRN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)C(=O)N1CCCCC1)CC2 ZINC000029124021 563074046 /nfs/dbraw/zinc/07/40/46/563074046.db2.gz DFMMFGCBYJBMHZ-JOCHJYFZSA-N 0 0 426.488 3.330 1 0 IGAFRN Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@H]1CC[C@@H](n3cnc4c3ncnc4N)O1)O2 ZINC000029391686 563078960 /nfs/dbraw/zinc/07/89/60/563078960.db2.gz KUVGHHLFOMVIIJ-FIXAZDJUSA-N 0 0 431.389 3.437 1 0 IGAFRN COc1cc2nc(N3CCN(c4nccc(-c5ccccc5)n4)CC3)nc(N)c2cc1OC ZINC000029473759 563080696 /nfs/dbraw/zinc/08/06/96/563080696.db2.gz OZJQKFXGVQOZQO-UHFFFAOYSA-N 0 0 443.511 3.013 1 0 IGAFRN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1c[nH]cn1 ZINC000029566120 563082570 /nfs/dbraw/zinc/08/25/70/563082570.db2.gz CJQBVEGZKWGXGA-JOCHJYFZSA-N 0 0 431.496 3.087 1 0 IGAFRN Cc1cc2c(cc1Cl)SC(NS(=O)(=O)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000031910007 563083931 /nfs/dbraw/zinc/08/39/31/563083931.db2.gz FSPSDFKNKUSJDP-UHFFFAOYSA-N 0 0 437.351 3.431 1 0 IGAFRN NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4c(F)cccc4F)c3s2)cc1 ZINC000034874964 563088395 /nfs/dbraw/zinc/08/83/95/563088395.db2.gz HGZQTJZFKROIJB-UHFFFAOYSA-N 0 0 434.453 3.499 1 0 IGAFRN COc1ccc([C@@H](O)CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2CCCO)cc1 ZINC000035064392 563089108 /nfs/dbraw/zinc/08/91/08/563089108.db2.gz ZNAMHLZEYQNLAS-AHWVRZQESA-N 0 0 433.504 3.485 1 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3ccccc3NC(=O)[C@@]12C ZINC000036387236 563094640 /nfs/dbraw/zinc/09/46/40/563094640.db2.gz KMSLCBPCQKVNRL-JYISGYRJSA-N 0 0 440.883 3.436 3 0 IGAFRN CO[C@H]1CCCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)C1 ZINC000040567225 563105058 /nfs/dbraw/zinc/10/50/58/563105058.db2.gz OEEUMPNQAQQLCE-NRFANRHFSA-N 0 0 433.508 3.452 1 0 IGAFRN [NH3+]C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1c1ccco1 ZINC000040712672 563105985 /nfs/dbraw/zinc/10/59/85/563105985.db2.gz LASMISRBDAATFV-SMDDNHRTSA-N 0 0 429.423 3.085 1 0 IGAFRN Cc1cc(C)cc(S(=O)(=O)c2c3cc(Cl)ccc3[nH]c2C(=O)N[C@@H](C)CC(N)=O)c1 ZINC000040891566 563109817 /nfs/dbraw/zinc/10/98/17/563109817.db2.gz QXXKLWAJMOTPFM-ZDUSSCGKSA-N 0 0 447.944 3.265 1 0 IGAFRN COc1ccc(C(=O)CSc2nnc(CSc3nc4nc(C)ccn4n3)o2)cc1 ZINC000040917311 563111544 /nfs/dbraw/zinc/11/15/44/563111544.db2.gz DNNRXYGUWSBULV-UHFFFAOYSA-N 0 0 428.499 3.092 1 0 IGAFRN COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3Sc4ccccc4[C@@H]3N=C2C)CC1 ZINC000040943732 563113651 /nfs/dbraw/zinc/11/36/51/563113651.db2.gz YTUVCBHWXNZHCJ-XZOQPEGZSA-N 0 0 436.581 3.293 1 0 IGAFRN COc1cc(C(=O)c2c(N)sc3c2CCN(C(=O)NC(C)C)C3)cc(OC)c1OC ZINC000040954989 563114549 /nfs/dbraw/zinc/11/45/49/563114549.db2.gz UJSFMHYOGGRROT-UHFFFAOYSA-N 0 0 433.530 3.063 1 0 IGAFRN Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4cc(C)ccc4-n4nccn4)CC3)ncc12 ZINC000043196190 563119275 /nfs/dbraw/zinc/11/92/75/563119275.db2.gz LCOLPIYEEOVJIY-QGZVFWFLSA-N 0 0 431.500 3.161 1 0 IGAFRN COc1ccc(C[C@]2(c3ccc(F)cc3)NC(=N)N(CCCc3cccnc3)C2=O)cc1 ZINC000045201777 563124858 /nfs/dbraw/zinc/12/48/58/563124858.db2.gz ZEACWDJAGNNWAB-RUZDIDTESA-N 0 0 432.499 3.457 1 0 IGAFRN C[C@H](Nc1nc(N)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000045245772 563126638 /nfs/dbraw/zinc/12/66/38/563126638.db2.gz MGDUJCIFDFSDIF-NRQAYCQOSA-N 0 0 436.560 3.092 1 0 IGAFRN C[C@@H]1[NH2+]CCn2cc(-c3c(F)cc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)[O-])C4=O)cc21 ZINC000045298595 563128856 /nfs/dbraw/zinc/12/88/56/563128856.db2.gz WYONJDRKEQVPHY-HZMBPMFUSA-N 0 0 449.429 3.426 1 0 IGAFRN COc1c(-c2cc3n(c2)C[C@H](C)[NH2+][C@@H]3C)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)[O-])C2=O ZINC000045300968 563129231 /nfs/dbraw/zinc/12/92/31/563129231.db2.gz QVKCBGXEESWGAC-HWWQOWPSSA-N 0 0 427.476 3.221 1 0 IGAFRN O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)nn1 ZINC000045337446 563131594 /nfs/dbraw/zinc/13/15/94/563131594.db2.gz IDPZZOYWDBJFMQ-JOCHJYFZSA-N 0 0 430.508 3.039 1 0 IGAFRN CS(=O)(=O)Nc1ccc(OCC(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1 ZINC000045385678 563133841 /nfs/dbraw/zinc/13/38/41/563133841.db2.gz HJWGMEHOJPIGHZ-UHFFFAOYSA-N 0 0 431.341 3.493 1 0 IGAFRN COc1cc([C@@H]2c3cc4c(cc3NC3=COC(=O)C32)OC(F)(F)O4)cc(OC)c1OC ZINC000045496099 563134437 /nfs/dbraw/zinc/13/44/37/563134437.db2.gz ZTUGTPYWOVEFBG-QGZVFWFLSA-N 0 0 433.363 3.402 1 0 IGAFRN Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1 ZINC000049067723 563137391 /nfs/dbraw/zinc/13/73/91/563137391.db2.gz SLUPAIOEVWITQU-UHFFFAOYSA-N 0 0 431.475 3.011 1 0 IGAFRN CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(CNC(=O)CNC=O)c2)n1 ZINC000058534737 563143971 /nfs/dbraw/zinc/14/39/71/563143971.db2.gz CDWVSWIXDWYDRG-UHFFFAOYSA-N 0 0 448.527 3.176 1 0 IGAFRN CC(C)C[C@H]1C(=O)N(COC(=O)CCc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058583243 563145254 /nfs/dbraw/zinc/14/52/54/563145254.db2.gz BKAYDBIJZLVKMQ-NRFANRHFSA-N 0 0 444.553 3.124 1 0 IGAFRN O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061903159 563147952 /nfs/dbraw/zinc/14/79/52/563147952.db2.gz GVWNTANSQVFOPX-HXUWFJFHSA-N 0 0 432.480 3.302 3 0 IGAFRN CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)CCOC ZINC000061926512 563149954 /nfs/dbraw/zinc/14/99/54/563149954.db2.gz BMAFUZZUNITFGX-UHFFFAOYSA-N 0 0 440.544 3.187 3 0 IGAFRN O=C(Cn1cnc2c1ncnc2NCc1ccccc1)NCCc1cc2ccccc2[nH]1 ZINC000061945270 563151176 /nfs/dbraw/zinc/15/11/76/563151176.db2.gz TZDODZHPUNQJHV-UHFFFAOYSA-N 0 0 425.496 3.279 3 0 IGAFRN Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC34CCC4)ns2)n1 ZINC000064527800 563154683 /nfs/dbraw/zinc/15/46/83/563154683.db2.gz UEEGLCWSBGVADM-UHFFFAOYSA-N 0 0 436.545 3.383 1 0 IGAFRN COC(=O)c1cccc(-c2cc(Nc3ccc4n[nH]cc4c3)nc(N3CCOCC3)n2)c1 ZINC000064549267 563155651 /nfs/dbraw/zinc/15/56/51/563155651.db2.gz OUHRUKBFXTWAIR-UHFFFAOYSA-N 0 0 430.468 3.387 1 0 IGAFRN CCOc1cc2nnc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1N1CCN(C)CC1 ZINC000066098469 563158053 /nfs/dbraw/zinc/15/80/53/563158053.db2.gz NYEZEWLNXPKHNM-UHFFFAOYSA-N 0 0 438.507 3.070 1 0 IGAFRN O=C1Nc2ccc(Br)cc2[C@@]12SC[C@H]1C(=O)N(Cc3ccccc3)C(=O)N12 ZINC000066252431 563160167 /nfs/dbraw/zinc/16/01/67/563160167.db2.gz FXLAIFFFELWJGP-HNAYVOBHSA-N 0 0 444.310 3.134 1 0 IGAFRN Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCCCCC2)CC1 ZINC000071282178 563161515 /nfs/dbraw/zinc/16/15/15/563161515.db2.gz DTSDNCVLJXFMRH-UHFFFAOYSA-N 0 0 441.594 3.206 1 0 IGAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1C1CCCCC1)C1CC1)CC2 ZINC000072138574 563164351 /nfs/dbraw/zinc/16/43/51/563164351.db2.gz BWXWBHSTUVQLLA-OAQYLSRUSA-N 0 0 435.576 3.058 3 0 IGAFRN CC(C)(C)OC(=O)NCC1CCC(CNc2nc3nc(-c4ccco4)nn3c(N)n2)CC1 ZINC000073198718 563170096 /nfs/dbraw/zinc/17/00/96/563170096.db2.gz UCZLQVGNTQBEQA-UHFFFAOYSA-N 0 0 442.524 3.105 1 0 IGAFRN COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@@H](O)c2ccccc2F)C1=O ZINC000084706716 563176904 /nfs/dbraw/zinc/17/69/04/563176904.db2.gz JIJDXDMHZSENDI-FKBYEOEOSA-N 0 0 444.503 3.049 1 0 IGAFRN CN1C(=O)N(c2ccnc(F)c2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl ZINC000095565891 563183403 /nfs/dbraw/zinc/18/34/03/563183403.db2.gz VDUUHYJMTFMCRF-ZDUSSCGKSA-N 0 0 430.789 3.450 1 0 IGAFRN CSc1ccccc1OCCN1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000095571980 563184706 /nfs/dbraw/zinc/18/47/06/563184706.db2.gz KGZLHIUAOKRDKJ-MRXNPFEDSA-N 0 0 426.991 3.494 1 0 IGAFRN O=S(=O)(c1ccc(Cl)cc1)[C@]12CCO[C@H](CCO)[C@H]1COc1c(F)ccc(F)c12 ZINC000095573191 563184931 /nfs/dbraw/zinc/18/49/31/563184931.db2.gz OIAYKSYVOPWLJU-WIBUTAKZSA-N 0 0 444.883 3.467 1 0 IGAFRN COc1ccccc1NC(=O)[C@@H](C)Nc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1 ZINC000095580393 563187303 /nfs/dbraw/zinc/18/73/03/563187303.db2.gz JELIMQMIOWYCLR-GFCCVEGCSA-N 0 0 438.875 3.210 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCCc2ccccc2F)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593653 563190763 /nfs/dbraw/zinc/19/07/63/563190763.db2.gz RGEJLLUAOKLHFK-XDHUDOTRSA-N 0 0 445.487 3.247 1 0 IGAFRN COC1=C(c2ccc(Cl)cc2)C(=O)O[C@@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594054 563190866 /nfs/dbraw/zinc/19/08/66/563190866.db2.gz YZGLTMYTBNGJFV-TZIWHRDSSA-N 0 0 433.863 3.332 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095595306 563191317 /nfs/dbraw/zinc/19/13/17/563191317.db2.gz VHKZPGOVNGOHPJ-SBUREZEXSA-N 0 0 431.460 3.205 1 0 IGAFRN CSCC[C@H](c1nnnn1C(C)(C)C)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095599183 563192342 /nfs/dbraw/zinc/19/23/42/563192342.db2.gz PNWCKQBWACVCQN-GOSISDBHSA-N 0 0 429.594 3.202 3 0 IGAFRN Cc1ccc(S(=O)(=O)C[C@@H]2O[C@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095603761 563193550 /nfs/dbraw/zinc/19/35/50/563193550.db2.gz UQBVUWIFGBRGGC-FKBYEOEOSA-N 0 0 449.594 3.436 3 0 IGAFRN O=C(NCc1ccccc1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000095604903 563193809 /nfs/dbraw/zinc/19/38/09/563193809.db2.gz XVYYRBYRUNAZSG-DEOSSOPVSA-N 0 0 430.460 3.194 3 0 IGAFRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000095755336 563194480 /nfs/dbraw/zinc/19/44/80/563194480.db2.gz GJAXPTMOYHGQED-INIZCTEOSA-N 0 0 442.539 3.088 1 0 IGAFRN Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C(C)(C)C)ncc1Nc1cncnc1 ZINC000096167424 563195142 /nfs/dbraw/zinc/19/51/42/563195142.db2.gz HFRMACQLBBUYHL-UHFFFAOYSA-N 0 0 429.488 3.356 1 0 IGAFRN O=C(COc1ccccc1)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168547 563195329 /nfs/dbraw/zinc/19/53/29/563195329.db2.gz KIELZJCNGGHZLE-ZBFHGGJFSA-N 0 0 435.402 3.163 1 0 IGAFRN Cc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(C)c3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000096274108 563197089 /nfs/dbraw/zinc/19/70/89/563197089.db2.gz FTXDIDQGGXAUGE-GOSISDBHSA-N 0 0 448.567 3.237 1 0 IGAFRN Cc1n[nH]c2c1cc(C(=O)N1CCC3(CC1)Cc1cn(C4CCC4)nc1C(=O)N3)cc2C ZINC000096283393 563197167 /nfs/dbraw/zinc/19/71/67/563197167.db2.gz XWOUDZDOYRSZQK-UHFFFAOYSA-N 0 0 432.528 3.062 1 0 IGAFRN COc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc21 ZINC000096283394 563197169 /nfs/dbraw/zinc/19/71/69/563197169.db2.gz OCEWFIAYJGXWPY-UHFFFAOYSA-N 0 0 447.539 3.156 1 0 IGAFRN CN(C)C(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CCC3)cc1 ZINC000096927480 563198130 /nfs/dbraw/zinc/19/81/30/563198130.db2.gz BRRIDTVUFHCNDN-UHFFFAOYSA-N 0 0 436.537 3.238 1 0 IGAFRN Cc1cc(C2CCN(C(=O)c3ccc(C)cc3)CC2)n(-c2ccc(S(N)(=O)=O)cc2)n1 ZINC000096934846 563199395 /nfs/dbraw/zinc/19/93/95/563199395.db2.gz MFEQRBJXYVHTIY-UHFFFAOYSA-N 0 0 438.553 3.156 1 0 IGAFRN O=C(N[C@@H](Cc1ccccc1F)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000000840527 562919380 /nfs/dbraw/zinc/91/93/80/562919380.db2.gz QMJHLMFORFSFQM-NRFANRHFSA-N 0 0 443.906 3.285 1 0 IGAFRN O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000002469232 562928080 /nfs/dbraw/zinc/92/80/80/562928080.db2.gz COMKAOQZQSWILB-MRXNPFEDSA-N 0 0 440.525 3.141 3 0 IGAFRN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc21 ZINC000002499071 562928252 /nfs/dbraw/zinc/92/82/52/562928252.db2.gz AWZGLWAKAAKKLY-DNQXCXABSA-N 0 0 444.535 3.207 3 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(C(F)(F)F)ccc12 ZINC000003591460 562936668 /nfs/dbraw/zinc/93/66/68/562936668.db2.gz AOWXQNHIRYRVRC-UHFFFAOYSA-N 0 0 429.398 3.354 1 0 IGAFRN Nc1nc2c(nc(Br)n2[C@@H]2CCCc3cccc(Br)c32)c(=O)[nH]1 ZINC000003842937 562939113 /nfs/dbraw/zinc/93/91/13/562939113.db2.gz QLRAFBKUHQNNFZ-SECBINFHSA-N 0 0 439.111 3.153 1 0 IGAFRN CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000004034470 562940875 /nfs/dbraw/zinc/94/08/75/562940875.db2.gz FGOUCXOQWYQZHO-IBGZPJMESA-N 0 0 445.566 3.085 3 0 IGAFRN COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1c[nH]c2ccccc21 ZINC000004034798 562941009 /nfs/dbraw/zinc/94/10/09/562941009.db2.gz QFWMWBPCPSLZSV-YRUKQIKQSA-N 0 0 447.535 3.390 3 0 IGAFRN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)c3C2=O)CC1 ZINC000004437360 562943371 /nfs/dbraw/zinc/94/33/71/562943371.db2.gz HSUVXHUKZJJVAT-IRXDYDNUSA-N 0 0 427.545 3.381 3 0 IGAFRN COC(=O)[C@@H]1C=CCON2CCc3c4ccccc4n(S(=O)(=O)c4ccccc4)c3[C@@H]12 ZINC000005836379 562945007 /nfs/dbraw/zinc/94/50/07/562945007.db2.gz KDKJPSCEPZYYDT-TZIWHRDSSA-N 0 0 438.505 3.068 1 0 IGAFRN COC(=O)C[C@H]([C@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000005835635 562945050 /nfs/dbraw/zinc/94/50/50/562945050.db2.gz GFQPDPJYPJHRKN-SJBKTWHCSA-N 0 0 439.464 3.060 1 0 IGAFRN CNC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000006378857 562946669 /nfs/dbraw/zinc/94/66/69/562946669.db2.gz KKJNBVBJIRNSET-HXUWFJFHSA-N 0 0 427.501 3.124 1 0 IGAFRN O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000006577078 562947401 /nfs/dbraw/zinc/94/74/01/562947401.db2.gz KPLHKGZSZFRISD-UHFFFAOYSA-N 0 0 427.526 3.229 3 0 IGAFRN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)c(OC)c1 ZINC000006577656 562947817 /nfs/dbraw/zinc/94/78/17/562947817.db2.gz JKFAMQGYXBQYOP-SFHVURJKSA-N 0 0 441.509 3.044 3 0 IGAFRN CC(C)c1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1 ZINC000008595506 562953573 /nfs/dbraw/zinc/95/35/73/562953573.db2.gz KQMBJZBCCHBGHW-UHFFFAOYSA-N 0 0 426.908 3.206 1 0 IGAFRN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 ZINC000008605841 562956890 /nfs/dbraw/zinc/95/68/90/562956890.db2.gz VQLITVQSUYWZPF-INIZCTEOSA-N 0 0 443.525 3.284 1 0 IGAFRN Cc1ccccc1Cn1nnc2c1nc([C@@H]1CCCN(C(=O)c3ccc(F)cc3)C1)[nH]c2=O ZINC000008611585 562958691 /nfs/dbraw/zinc/95/86/91/562958691.db2.gz NOLAIFFHFWRPFY-GOSISDBHSA-N 0 0 446.486 3.030 1 0 IGAFRN O=C(Cc1cccs1)N(c1cccnc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000008672792 562961096 /nfs/dbraw/zinc/96/10/96/562961096.db2.gz AZDIDEVIEGEAEJ-SIKLNZKXSA-N 0 0 436.537 3.150 3 0 IGAFRN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2cccnc2)C3=O)c(OC)c1 ZINC000009393145 562969928 /nfs/dbraw/zinc/96/99/28/562969928.db2.gz PNGPZICLCQNWOH-UHFFFAOYSA-N 0 0 447.491 3.315 3 0 IGAFRN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1 ZINC000012021869 562980341 /nfs/dbraw/zinc/98/03/41/562980341.db2.gz IXCYMQCLCFTHCE-LJQANCHMSA-N 0 0 445.523 3.152 1 0 IGAFRN O=C(c1ccc(Cn2cnnn2)cc1)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1 ZINC000012077977 562980714 /nfs/dbraw/zinc/98/07/14/562980714.db2.gz USVKWMDHGUBCIC-XMMPIXPASA-N 0 0 447.539 3.370 1 0 IGAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(/C=C/c3ccco3)=NO2)cc1 ZINC000012355145 562981337 /nfs/dbraw/zinc/98/13/37/562981337.db2.gz IHQRVQUVWKEKQN-YVNCXZRQSA-N 0 0 437.477 3.391 1 0 IGAFRN O=C(c1ccccc1)N1CCN(c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 ZINC000012479398 562982355 /nfs/dbraw/zinc/98/23/55/562982355.db2.gz RSUICRXXTZQBQS-UHFFFAOYSA-N 0 0 432.501 3.026 3 0 IGAFRN COc1cccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150664 562985432 /nfs/dbraw/zinc/98/54/32/562985432.db2.gz FVCCKRYWICTWQP-JXFKEZNVSA-N 0 0 441.553 3.359 3 0 IGAFRN O=C([O-])C[C@H](NC(=O)Cc1cccc(CCc2ccc3c([nH+]2)NCCC3)c1)c1cccnc1 ZINC000013489936 562990111 /nfs/dbraw/zinc/99/01/11/562990111.db2.gz ZFAFRTHFBFICQH-QHCPKHFHSA-N 0 0 444.535 3.495 1 0 IGAFRN CCOc1cc2ncnc(N3CCN(C(=S)NCc4ccccc4)CC3)c2cc1OC ZINC000013528722 562991896 /nfs/dbraw/zinc/99/18/96/562991896.db2.gz WGDQJKQQPFXRBI-UHFFFAOYSA-N 0 0 437.569 3.234 1 0 IGAFRN O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ncc2ccccc2n1 ZINC000013601773 562996871 /nfs/dbraw/zinc/99/68/71/562996871.db2.gz SCTXRBJBGWMYOT-QFIPXVFZSA-N 0 0 425.423 3.315 1 0 IGAFRN COc1ccc(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1OC ZINC000013605308 562997182 /nfs/dbraw/zinc/99/71/82/562997182.db2.gz IJIYFBOLAUNRBX-PMERELPUSA-N 0 0 427.482 3.063 1 0 IGAFRN COc1cc(OC)c(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 ZINC000013605221 562997185 /nfs/dbraw/zinc/99/71/85/562997185.db2.gz ICSDELHOOGLSSM-SSEXGKCCSA-N 0 0 427.482 3.063 1 0 IGAFRN CN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013636895 562998311 /nfs/dbraw/zinc/99/83/11/562998311.db2.gz CQVJFMSLFQKXSW-NRFANRHFSA-N 0 0 434.565 3.159 3 0 IGAFRN O=c1ccn([C@H]2C=C[C@@H](COP(=O)(Oc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]1 ZINC000013673357 563000199 /nfs/dbraw/zinc/00/01/99/563000199.db2.gz WTBYVSFHNKXXGR-AZUAARDMSA-N 0 0 442.364 3.273 1 0 IGAFRN COc1cc2c(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)cn(C(=O)N(C)C)c2cc1OC ZINC000013737543 563002541 /nfs/dbraw/zinc/00/25/41/563002541.db2.gz LDEOMUXXMIHGCM-HRAATJIYSA-N 0 0 440.525 3.170 1 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)c1nccs1 ZINC000013738807 563002876 /nfs/dbraw/zinc/00/28/76/563002876.db2.gz LPDUJIYPFMOVDG-MOPGFXCFSA-N 0 0 425.554 3.331 1 0 IGAFRN S=C(NCc1cccc(I)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000013808003 563008688 /nfs/dbraw/zinc/00/86/88/563008688.db2.gz UUZKSECOFPKBDH-UHFFFAOYSA-N 0 0 426.327 3.268 1 0 IGAFRN CCn1c2nc(NC3CCCC3)n(Cc3ccc(O)c(Cl)c3)c2c(=O)n(CC)c1=O ZINC000013860294 563012512 /nfs/dbraw/zinc/01/25/12/563012512.db2.gz XJSVOIWTZIUMFA-UHFFFAOYSA-N 0 0 431.924 3.161 1 0 IGAFRN COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1[S@](C)(=N)=O ZINC000013982706 563014150 /nfs/dbraw/zinc/01/41/50/563014150.db2.gz GNODSQUZRSUVER-LIOSHXBBSA-N 0 0 444.355 3.208 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCC(C)CC1)C(=O)OCc1ccccc1 ZINC000015952270 563020411 /nfs/dbraw/zinc/02/04/11/563020411.db2.gz FYJRUUGTOWXAFW-IBGZPJMESA-N 0 0 440.544 3.170 3 0 IGAFRN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)no1 ZINC000020995106 563025246 /nfs/dbraw/zinc/02/52/46/563025246.db2.gz ARDFQGGIRARAHA-SFHVURJKSA-N 0 0 436.493 3.060 1 0 IGAFRN CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)S(=O)(=O)c3ccccc3)c(F)c2)C(=O)O1 ZINC000026257047 563030128 /nfs/dbraw/zinc/03/01/28/563030128.db2.gz ACSRDSBBOIUTML-ARFNDINWSA-N 0 0 436.436 3.029 1 0 IGAFRN CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 ZINC000026276286 563030560 /nfs/dbraw/zinc/03/05/60/563030560.db2.gz BZGNSHZZBYWLGG-UCFCWBNQSA-N 0 0 448.567 3.130 1 0 IGAFRN CCCCc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1 ZINC000026641007 563034362 /nfs/dbraw/zinc/03/43/62/563034362.db2.gz MBGOSGHMYMSSRG-UHFFFAOYSA-N 0 0 426.565 3.153 1 0 IGAFRN COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)NC3=COC(=O)C32)cc(OC)c1OC ZINC000026939748 563038001 /nfs/dbraw/zinc/03/80/01/563038001.db2.gz ZUKLQPSFXBGCBI-KRWDZBQOSA-N 0 0 443.452 3.107 1 0 IGAFRN C[C@@]1(C[NH3+])CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027200185 563040635 /nfs/dbraw/zinc/04/06/35/563040635.db2.gz OMBXENWTQGMRPK-IBGZPJMESA-N 0 0 427.398 3.368 1 0 IGAFRN [NH3+]C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1c1ccco1 ZINC000027418470 563042039 /nfs/dbraw/zinc/04/20/39/563042039.db2.gz LASMISRBDAATFV-FZMZJTMJSA-N 0 0 429.423 3.085 1 0 IGAFRN [NH3+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2Cl)C1 ZINC000027525641 563043294 /nfs/dbraw/zinc/04/32/94/563043294.db2.gz XUZWZSQEKYMOJR-SNVBAGLBSA-N 0 0 437.805 3.297 1 0 IGAFRN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 ZINC000027548948 563043463 /nfs/dbraw/zinc/04/34/63/563043463.db2.gz QHUXMXULJOQNHV-ROUUACIJSA-N 0 0 431.533 3.335 1 0 IGAFRN O=C(Nc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028012246 563049681 /nfs/dbraw/zinc/04/96/81/563049681.db2.gz MZNHDUYXFFIZHG-QHCPKHFHSA-N 0 0 449.942 3.406 1 0 IGAFRN COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1n[n-]c(=S)o1)C2 ZINC000028262399 563052459 /nfs/dbraw/zinc/05/24/59/563052459.db2.gz UKJJYGWKCLKGDT-IHNCAGORSA-N 0 0 439.537 3.129 1 0 IGAFRN Nc1nc(-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cn2nc(-c3ccco3)nc12 ZINC000028526687 563056969 /nfs/dbraw/zinc/05/69/69/563056969.db2.gz HUYLASKTXVQSES-UHFFFAOYSA-N 0 0 440.463 3.312 1 0 IGAFRN Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccccc2)c1 ZINC000028707619 563062164 /nfs/dbraw/zinc/06/21/64/563062164.db2.gz HFKPIILZWZGLCQ-UHFFFAOYSA-N 0 0 437.931 3.427 1 0 IGAFRN O=C1C2=C(CCN(Cc3ccc(F)cc3)C2=O)N2CCN(Cc3ccc(F)cc3)C(=O)C12 ZINC000028826626 563066477 /nfs/dbraw/zinc/06/64/77/563066477.db2.gz NTTUMYMTBLZNRC-UHFFFAOYSA-N 0 0 437.446 3.326 1 0 IGAFRN CCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nn[nH]n2)cc1 ZINC000028885317 563068043 /nfs/dbraw/zinc/06/80/43/563068043.db2.gz ADNLDCNKXXQYRA-UHFFFAOYSA-N 0 0 427.468 3.404 1 0 IGAFRN CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@H]3C[C@@H](C4=CCOC4=O)O[C@]3(C)CC[C@H]12 ZINC000028955961 563070275 /nfs/dbraw/zinc/07/02/75/563070275.db2.gz GWGVFGBCUMIJFX-CQHQRGETSA-N 0 0 434.529 3.345 1 0 IGAFRN O=C(Cc1ccc(-c2ccncc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc21 ZINC000029041502 563072102 /nfs/dbraw/zinc/07/21/02/563072102.db2.gz KAQTYVZQFWHKBB-UHFFFAOYSA-N 0 0 447.520 3.346 1 0 IGAFRN O=S(=O)(Cc1cccc(Cl)c1Cl)c1nc2cc(N3CC[NH2+]CC3)c(F)cc2[n-]1 ZINC000029050429 563072971 /nfs/dbraw/zinc/07/29/71/563072971.db2.gz DRYTYYZFPGOGGU-UHFFFAOYSA-N 0 0 443.331 3.392 1 0 IGAFRN CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000029125770 563074511 /nfs/dbraw/zinc/07/45/11/563074511.db2.gz IXTSBNUDPQCOMY-HJGVSCFUSA-N 0 0 434.533 3.088 1 0 IGAFRN COc1ccc2cc([C@H](C)C(=O)OCCCCOC(=O)CN3CCN(C)CC3)ccc2c1 ZINC000029318734 563077709 /nfs/dbraw/zinc/07/77/09/563077709.db2.gz YWODZLCRMGQTGJ-IBGZPJMESA-N 0 0 442.556 3.066 1 0 IGAFRN CC[C@@H](C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O ZINC000029478411 563080913 /nfs/dbraw/zinc/08/09/13/563080913.db2.gz UHUIYQVVRQZLAU-CYBMUJFWSA-N 0 0 429.527 3.070 1 0 IGAFRN CC[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC[NH2+]1 ZINC000032016744 563084016 /nfs/dbraw/zinc/08/40/16/563084016.db2.gz GKEQCPSVAHRKLP-CYBMUJFWSA-N 0 0 431.414 3.294 1 0 IGAFRN COc1c(N2CC[C@@H](C[NH2+]C3CC3)C2)c(F)cc2c(=O)c3c([O-])nsc3n(C3CC3)c21 ZINC000034946455 563088527 /nfs/dbraw/zinc/08/85/27/563088527.db2.gz XHFKPCCEOVJCEM-NSHDSACASA-N 0 0 444.532 3.378 1 0 IGAFRN CCOC(=O)c1c(C)nn2c1nnn(-c1c(Cl)cc(C(F)(F)F)cc1Cl)c2=O ZINC000035245075 563089515 /nfs/dbraw/zinc/08/95/15/563089515.db2.gz RPFLGTFBJBNQTF-UHFFFAOYSA-N 0 0 436.177 3.086 1 0 IGAFRN CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4cnccn4)s3)c2)CC1 ZINC000036184861 563091771 /nfs/dbraw/zinc/09/17/71/563091771.db2.gz ZKHQLWLCSPCQIW-UHFFFAOYSA-N 0 0 440.554 3.132 1 0 IGAFRN CCOC(=O)C1=CN(CCCc2cn(Cc3ccccc3)nn2)C(=O)N[C@@H]1c1ccccc1 ZINC000036381994 563093867 /nfs/dbraw/zinc/09/38/67/563093867.db2.gz PJXXYBZEETUSBH-HSZRJFAPSA-N 0 0 445.523 3.473 1 0 IGAFRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000040379164 563099395 /nfs/dbraw/zinc/09/93/95/563099395.db2.gz UEWSERZNSLLZCB-GFCCVEGCSA-N 0 0 430.452 3.254 1 0 IGAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(c2ccccn2)CC1 ZINC000040394407 563100440 /nfs/dbraw/zinc/10/04/40/563100440.db2.gz YZQFLTPOQHMMFC-UHFFFAOYSA-N 0 0 435.977 3.238 1 0 IGAFRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)nn2C)c1 ZINC000040422583 563102370 /nfs/dbraw/zinc/10/23/70/563102370.db2.gz BQFQWWWYWGFNMK-LBPRGKRZSA-N 0 0 430.452 3.254 1 0 IGAFRN N=C1S/C(=C\c2cc(CC(N)=O)[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1 ZINC000040422644 563102459 /nfs/dbraw/zinc/10/24/59/563102459.db2.gz AHFGYLHZSKDKKP-FPPDEWAKSA-N 0 0 427.486 3.361 1 0 IGAFRN COc1cc2nc(N3CCC(C(N)=O)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040893113 563110159 /nfs/dbraw/zinc/11/01/59/563110159.db2.gz JYIPSEUVNAXLDW-UHFFFAOYSA-N 0 0 427.549 3.483 1 0 IGAFRN COc1ccc(CNc2ncnc3c2cc(NC(C)=O)c(OC)c3CCO)cc1Cl ZINC000042888988 563116000 /nfs/dbraw/zinc/11/60/00/563116000.db2.gz YZMXAIKXCRWLSJ-UHFFFAOYSA-N 0 0 430.892 3.406 1 0 IGAFRN CCOC(=O)C[C@@H]1c2cc(-c3cc(O)cc(OC)c3)ccc2OC(N)=C1C(=O)OCC ZINC000043119919 563118716 /nfs/dbraw/zinc/11/87/16/563118716.db2.gz FGNWOYHFWZIEBO-GOSISDBHSA-N 0 0 427.453 3.230 1 0 IGAFRN CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)CCc2ccccc2)C(=O)N1C(=O)CCc1ccccc1 ZINC000045253677 563126903 /nfs/dbraw/zinc/12/69/03/563126903.db2.gz YUOHCVOFNZXISQ-WSNNEZGNSA-N 0 0 437.492 3.058 1 0 IGAFRN C[C@H](Oc1cccc2nc(N(C)C)ccc21)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC000045261059 563127719 /nfs/dbraw/zinc/12/77/19/563127719.db2.gz RTDHPLYJBCQAII-MOPGFXCFSA-N 0 0 446.551 3.441 1 0 IGAFRN CN1C(=N)N[C@](c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)(C2CCCCC2)C1=O ZINC000045384191 563133726 /nfs/dbraw/zinc/13/37/26/563133726.db2.gz SNQQSEHSNGCNKM-DEOSSOPVSA-N 0 0 434.496 3.230 1 0 IGAFRN O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1)c1cc(F)cc(N2CCOCC2)c1 ZINC000045496574 563134487 /nfs/dbraw/zinc/13/44/87/563134487.db2.gz QFKAWABYQZOQOY-UHFFFAOYSA-N 0 0 449.442 3.272 1 0 IGAFRN CO[C@@H]1O[C@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049115569 563138736 /nfs/dbraw/zinc/13/87/36/563138736.db2.gz QSGFSJSUJQKILI-NHTNDUFYSA-N 0 0 444.524 3.318 1 0 IGAFRN C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)[NH2+]C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000049116060 563138740 /nfs/dbraw/zinc/13/87/40/563138740.db2.gz JZYDUWOBEJAQEF-QQYMCGONSA-N 0 0 437.625 3.342 1 0 IGAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2c(C(F)(F)F)c1C3 ZINC000053298722 563142021 /nfs/dbraw/zinc/14/20/21/563142021.db2.gz VZLXVKJZIVPFQI-OAQYLSRUSA-N 0 0 430.382 3.489 1 0 IGAFRN O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061903158 563147954 /nfs/dbraw/zinc/14/79/54/563147954.db2.gz GVWNTANSQVFOPX-FQEVSTJZSA-N 0 0 432.480 3.302 3 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921002 563149137 /nfs/dbraw/zinc/14/91/37/563149137.db2.gz DAWUOTUQHPKEIQ-SFHVURJKSA-N 0 0 425.573 3.364 3 0 IGAFRN CCOC(=O)c1cc2c(c(-c3ccccc3)n1)[C@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 ZINC000061943318 563150919 /nfs/dbraw/zinc/15/09/19/563150919.db2.gz HQWNYLANZZFTSP-SFHVURJKSA-N 0 0 432.542 3.293 3 0 IGAFRN Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000061958695 563151904 /nfs/dbraw/zinc/15/19/04/563151904.db2.gz OUTMYFXVLINGNJ-UHFFFAOYSA-N 0 0 427.505 3.100 3 0 IGAFRN Cc1nnsc1C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000061969845 563152078 /nfs/dbraw/zinc/15/20/78/563152078.db2.gz WOSYESCSLYWFOT-QGZVFWFLSA-N 0 0 439.507 3.292 3 0 IGAFRN COc1cc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)COC(C)=O)cc(OC)c1OC ZINC000064373191 563152780 /nfs/dbraw/zinc/15/27/80/563152780.db2.gz LSUNDYSUIHSGPK-LJQANCHMSA-N 0 0 426.469 3.262 1 0 IGAFRN CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000064454405 563153677 /nfs/dbraw/zinc/15/36/77/563153677.db2.gz DUVGAHFDIBSNHU-UHFFFAOYSA-N 0 0 425.341 3.454 1 0 IGAFRN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 ZINC000064502325 563153842 /nfs/dbraw/zinc/15/38/42/563153842.db2.gz TXXYVBLFLGPQOR-ZBFHGGJFSA-N 0 0 442.527 3.428 1 0 in-vitro IGAFRN CCN1CC[C@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn43)c3cccnc32)C1 ZINC000064532104 563154881 /nfs/dbraw/zinc/15/48/81/563154881.db2.gz HAEJRQCALNPDQI-LBPRGKRZSA-N 0 0 435.962 3.498 1 0 IGAFRN CC[C@H](C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 ZINC000066111560 563158858 /nfs/dbraw/zinc/15/88/58/563158858.db2.gz UBCICOPKLTVUSO-WMZOPIPTSA-N 0 0 449.544 3.185 1 0 IGAFRN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 ZINC000071329908 563162380 /nfs/dbraw/zinc/16/23/80/563162380.db2.gz TXXYVBLFLGPQOR-GOEBONIOSA-N 0 0 442.527 3.428 1 0 IGAFRN COc1ccc(C(=O)O[C@H]2CC(C)=C[C@@H](O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000072140983 563164534 /nfs/dbraw/zinc/16/45/34/563164534.db2.gz QUWQRANGMXSSTD-NVHDARMSSA-N 0 0 446.540 3.277 1 0 IGAFRN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NCC(F)(F)F)C(=O)OC(C)(C)C ZINC000073298935 563172232 /nfs/dbraw/zinc/17/22/32/563172232.db2.gz LHWGAUTUTGYVJN-JQFCIGGWSA-N 0 0 432.483 3.328 1 0 IGAFRN O=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1 ZINC000084605059 563174237 /nfs/dbraw/zinc/17/42/37/563174237.db2.gz UBOXEVAOESOFMP-UHFFFAOYSA-N 0 0 439.317 3.213 1 0 IGAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)nc2)CC1 ZINC000084690559 563176389 /nfs/dbraw/zinc/17/63/89/563176389.db2.gz CBNFLBDZRCZIJJ-UHFFFAOYSA-N 0 0 447.557 3.121 1 0 IGAFRN C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000095563122 563182850 /nfs/dbraw/zinc/18/28/50/563182850.db2.gz LAKUCSBODATRPQ-QFIPXVFZSA-N 0 0 435.524 3.296 1 0 IGAFRN Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095567183 563183677 /nfs/dbraw/zinc/18/36/77/563183677.db2.gz NFZDSULWUQFWND-QHCPKHFHSA-N 0 0 439.475 3.487 3 0 IGAFRN COc1ccc(NC(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3Cc2ccccn2)cc1 ZINC000095570814 563184395 /nfs/dbraw/zinc/18/43/95/563184395.db2.gz NQYQWYBLZOGQEU-SMIHKQSGSA-N 0 0 430.508 3.471 1 0 IGAFRN COc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000095571404 563184529 /nfs/dbraw/zinc/18/45/29/563184529.db2.gz DWEQWSPWHBLGLF-TZYHBYERSA-N 0 0 449.551 3.168 3 0 IGAFRN COc1cc(C(=O)c2nc(-c3cc(OC)c(OC)c(OC)c3)c[nH]2)cc(OC)c1OC ZINC000095585720 563188945 /nfs/dbraw/zinc/18/89/45/563188945.db2.gz BLQXBOVVEDUIBR-UHFFFAOYSA-N 0 0 428.441 3.359 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597900 563191986 /nfs/dbraw/zinc/19/19/86/563191986.db2.gz OLSAKKGEDBWFLQ-MHECFPHRSA-N 0 0 443.496 3.074 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCCc2cccc(F)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598289 563192058 /nfs/dbraw/zinc/19/20/58/563192058.db2.gz FGYGZZYLVLLNNY-HOYKHHGWSA-N 0 0 445.487 3.247 1 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600241 563192584 /nfs/dbraw/zinc/19/25/84/563192584.db2.gz WFDVSVFZJXOZLS-QGZVFWFLSA-N 0 0 443.544 3.304 3 0 IGAFRN C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)C1CCCCC1 ZINC000095755333 563194474 /nfs/dbraw/zinc/19/44/74/563194474.db2.gz XHKLKPJMYHJUTQ-MRXNPFEDSA-N 0 0 442.539 3.088 1 0 IGAFRN O=C(C1CCOCC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccc(Cl)c1)C2 ZINC000095796746 563194571 /nfs/dbraw/zinc/19/45/71/563194571.db2.gz HVJISOPRJIIBMM-DHIUTWEWSA-N 0 0 440.971 3.308 1 0 IGAFRN COc1cnc(-c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)[nH]c1=O ZINC000096273776 563196950 /nfs/dbraw/zinc/19/69/50/563196950.db2.gz RJQDHSHCSRWNGF-UHFFFAOYSA-N 0 0 430.482 3.429 1 0 IGAFRN CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@@H](C)O4)CC2)c(C)c1 ZINC000096274110 563197075 /nfs/dbraw/zinc/19/70/75/563197075.db2.gz NDPXSBJMMOJZHP-GOSISDBHSA-N 0 0 436.556 3.095 1 0 IGAFRN O=C(CCCn1ccc(=O)[nH]c1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096283124 563197183 /nfs/dbraw/zinc/19/71/83/563197183.db2.gz NJHXWEQKVUZIEH-UHFFFAOYSA-N 0 0 439.515 3.425 1 0 IGAFRN C[C@H](CC[C@@H](O)[C@H](C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000040164357 571755546 /nfs/dbraw/zinc/75/55/46/571755546.db2.gz UBCPEZWGUOSYHO-KZNIOMHXSA-N 0 0 438.649 3.106 1 0 endogenous,in-man IGAFRN C[C@@H](O)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000040164355 574414525 /nfs/dbraw/zinc/41/45/25/574414525.db2.gz UBCPEZWGUOSYHO-JONPKXQASA-N 0 0 438.649 3.106 1 0 endogenous,in-man IGAFRN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC2CC2)cc1 ZINC000003670489 132267685 /nfs/dbraw/zinc/26/76/85/132267685.db2.gz QLSOTWXNDGHPEF-FQEVSTJZSA-N 0 0 446.301 3.324 1 0 IGAFRN O=C(c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)N1CCN(c2ccccc2F)CC1 ZINC000009490080 132319209 /nfs/dbraw/zinc/31/92/09/132319209.db2.gz DPPCDERPQRCHKO-XFDIAKHOSA-N 0 0 445.494 3.100 1 0 IGAFRN O=C1CN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CCN1CCc1ccccc1 ZINC000000607671 562918795 /nfs/dbraw/zinc/91/87/95/562918795.db2.gz FVUNSWROPFFXFF-UHFFFAOYSA-N 0 0 428.540 3.068 1 0 IGAFRN COC(=O)/C=C/c1cc2c(c(OC)c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C(=O)OC ZINC000001645367 562923606 /nfs/dbraw/zinc/92/36/06/562923606.db2.gz PSIYZHFYCJVWJB-AWTHQZBNSA-N 0 0 428.437 3.289 1 0 IGAFRN CN1CC[NH+]=C1c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cc(C(N)=[NH2+])ccc3[O-])n2)c1 ZINC000001911692 562925400 /nfs/dbraw/zinc/92/54/00/562925400.db2.gz RFXKVRQVMAZJNN-UHFFFAOYSA-N 0 0 447.451 3.046 1 0 IGAFRN CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1c[nH]c2ccccc21 ZINC000002499050 562928266 /nfs/dbraw/zinc/92/82/66/562928266.db2.gz AWZGLWAKAAKKLY-ZEQRLZLVSA-N 0 0 444.535 3.207 3 0 IGAFRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCCCC2)cc1 ZINC000004399807 562943226 /nfs/dbraw/zinc/94/32/26/562943226.db2.gz GGFPAXGRZMKOGH-FQEVSTJZSA-N 0 0 429.521 3.127 3 0 IGAFRN CCOC(=O)n1c2ccccc2c2c1N(C(=O)OCC)N(C(=O)OCC)[C@H](OC)C2=O ZINC000005922865 562945390 /nfs/dbraw/zinc/94/53/90/562945390.db2.gz HQAKEXUTVHEVBV-QGZVFWFLSA-N 0 0 433.417 3.151 1 0 IGAFRN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1 ZINC000006577135 562947490 /nfs/dbraw/zinc/94/74/90/562947490.db2.gz FFRYNKFCXCUBBF-UHFFFAOYSA-N 0 0 441.557 3.389 3 0 IGAFRN CC(C)CCNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1 ZINC000006745819 562948298 /nfs/dbraw/zinc/94/82/98/562948298.db2.gz DAXBFBDXGVPOQZ-UHFFFAOYSA-N 0 0 449.477 3.234 1 0 IGAFRN Cc1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000008650202 562960135 /nfs/dbraw/zinc/96/01/35/562960135.db2.gz LXCAGXJJHXXYDN-UHFFFAOYSA-N 0 0 432.480 3.080 3 0 IGAFRN [NH3+][C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1c1ccccc1 ZINC000009132722 562967677 /nfs/dbraw/zinc/96/76/77/562967677.db2.gz FJHKBXPXIQCCFE-CRAIPNDOSA-N 0 0 425.435 3.244 1 0 IGAFRN COc1ccc2[nH]c(CCN(C)C(=O)[C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)nc2c1 ZINC000012433567 562982139 /nfs/dbraw/zinc/98/21/39/562982139.db2.gz PRRWGYCFCXHGAW-KRWDZBQOSA-N 0 0 438.503 3.150 3 0 IGAFRN O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000013440663 562986218 /nfs/dbraw/zinc/98/62/18/562986218.db2.gz MYSZTUDXDIGAGW-UHFFFAOYSA-N 0 0 436.946 3.050 1 0 in-vivo IGAFRN COC[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O ZINC000013471940 562987886 /nfs/dbraw/zinc/98/78/86/562987886.db2.gz DFIPAYGHEIHLSB-ZDUSSCGKSA-N 0 0 449.403 3.014 1 0 IGAFRN CCCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O ZINC000013478325 562989173 /nfs/dbraw/zinc/98/91/73/562989173.db2.gz LINDGWDPECJLNM-UGTOYMOASA-N 0 0 448.585 3.280 1 0 IGAFRN COc1ccc(-n2nc(C(=O)NCc3cccnc3)cc2C(=O)Nc2ccccc2)cc1 ZINC000013491665 562990508 /nfs/dbraw/zinc/99/05/08/562990508.db2.gz ILYYIJZMBPMDID-UHFFFAOYSA-N 0 0 427.464 3.458 1 0 IGAFRN CCOC(=O)[C@H]1CCCN(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)C1 ZINC000013530477 562992076 /nfs/dbraw/zinc/99/20/76/562992076.db2.gz WDVZHXZBFRYKPJ-KRWDZBQOSA-N 0 0 445.537 3.261 1 0 IGAFRN CONC(=O)c1cc(Nc2ncnn3cc(-c4nnco4)c(C(C)C)c23)c(F)cc1F ZINC000013645309 562998728 /nfs/dbraw/zinc/99/87/28/562998728.db2.gz MMHADELJVDMSNQ-UHFFFAOYSA-N 0 0 429.387 3.216 1 0 IGAFRN CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013656805 562999388 /nfs/dbraw/zinc/99/93/88/562999388.db2.gz KXPOPZSKEYIOTO-WFXMLNOXSA-N 0 0 443.462 3.313 3 0 IGAFRN O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCOCC1 ZINC000013656789 562999410 /nfs/dbraw/zinc/99/94/10/562999410.db2.gz NPJFRYTYLZKOQH-APWZRJJASA-N 0 0 429.435 3.067 3 0 IGAFRN COc1cc(O)c([C@@H](CCN2CCOCC2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000013661557 562999702 /nfs/dbraw/zinc/99/97/02/562999702.db2.gz SKXGODFDNFSAJF-SFHVURJKSA-N 0 0 447.528 3.289 3 0 IGAFRN COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4C3=O)o2)CC1 ZINC000013743852 563003702 /nfs/dbraw/zinc/00/37/02/563003702.db2.gz FQPYQERAUASZPW-UHFFFAOYSA-N 0 0 431.492 3.407 1 0 IGAFRN CN1CCN(c2nc3nc(NCc4ccccc4)c(Cl)nc3c(N3CCCC3)n2)CC1 ZINC000013782034 563006718 /nfs/dbraw/zinc/00/67/18/563006718.db2.gz DRKUMXRNQGUAKP-UHFFFAOYSA-N 0 0 438.967 3.037 1 0 IGAFRN CC[C@@H]1[C@H](CC)N(C(=O)c2ccco2)CCN1c1nc(N)c2cc(OC)c(OC)cc2n1 ZINC000013826100 563010467 /nfs/dbraw/zinc/01/04/67/563010467.db2.gz XUILCHHAFRZYQV-DLBZAZTESA-N 0 0 439.516 3.342 1 0 IGAFRN CCCCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000013833702 563011834 /nfs/dbraw/zinc/01/18/34/563011834.db2.gz YBCYKWLFCIPEMH-OALUTQOASA-N 0 0 434.533 3.135 1 0 IGAFRN N[C@H](C(=O)N1CC[C@H](F)C1)[C@@H](C(=O)N1CCCC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000014947788 563015466 /nfs/dbraw/zinc/01/54/66/563015466.db2.gz OLJQAUHETSJHHJ-FKBYEOEOSA-N 0 0 427.495 3.096 1 0 IGAFRN CC[N@@H+]1CCC[C@H]1CNC(=O)c1c([O-])c(Br)cc(Br)c1OC ZINC000026160354 563029176 /nfs/dbraw/zinc/02/91/76/563029176.db2.gz JNFBCMWINGLNPB-VIFPVBQESA-N 0 0 436.144 3.140 1 0 IGAFRN CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCOc1ccccc1 ZINC000026657928 563034900 /nfs/dbraw/zinc/03/49/00/563034900.db2.gz KUUIAEGTCZAGKP-KRWDZBQOSA-N 0 0 445.324 3.378 1 0 IGAFRN CCOC(=O)[C@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 ZINC000026848998 563037711 /nfs/dbraw/zinc/03/77/11/563037711.db2.gz WASPFBKLPKZFNP-AWEZNQCLSA-N 0 0 446.447 3.311 1 0 IGAFRN O=C([O-])c1c2n(c3cc(N4CC[NH2+]CC4)c(F)cc3c1=O)[C@@H](c1ccc(F)cc1)S2 ZINC000027525967 563043271 /nfs/dbraw/zinc/04/32/71/563043271.db2.gz GDHCLNWKEUXYPH-LJQANCHMSA-N 0 0 429.448 3.040 1 0 IGAFRN COc1cc2nc(N3CCC(OC[C@](C)(O)c4ccccc4)CC3)nc(N)c2cc1OC ZINC000027559890 563044104 /nfs/dbraw/zinc/04/41/04/563044104.db2.gz CTEBAMPXSHHIPC-DEOSSOPVSA-N 0 0 438.528 3.122 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(CCCc2ccccc2)CCO1 ZINC000027704655 563045450 /nfs/dbraw/zinc/04/54/50/563045450.db2.gz KPZROYHABPDRTN-SFHVURJKSA-N 0 0 431.964 3.384 1 0 IGAFRN COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2c(C)cc(C)cc2C)CCO1 ZINC000027706076 563045539 /nfs/dbraw/zinc/04/55/39/563045539.db2.gz KUUVTCZOYVTWFA-KRWDZBQOSA-N 0 0 431.964 3.487 1 0 IGAFRN O=C(Nc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027997042 563049115 /nfs/dbraw/zinc/04/91/15/563049115.db2.gz OQWJKOITLPKNGK-QHCPKHFHSA-N 0 0 449.942 3.406 1 0 IGAFRN O=C(/C=C/c1cccnc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028339858 563052769 /nfs/dbraw/zinc/05/27/69/563052769.db2.gz YCHVIWVGPCRRAF-UZYOAWRESA-N 0 0 430.748 3.289 1 0 IGAFRN O=C(/C=C/c1cccnc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028339865 563052856 /nfs/dbraw/zinc/05/28/56/563052856.db2.gz YCHVIWVGPCRRAF-PSKZRQQASA-N 0 0 430.748 3.289 1 0 IGAFRN COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 ZINC000028461269 563055077 /nfs/dbraw/zinc/05/50/77/563055077.db2.gz MSEYOSOAMOYBBP-UHFFFAOYSA-N 0 0 445.566 3.472 1 0 IGAFRN CCOC(=O)CN1C(=O)N(CCCc2cncn2C)C(=O)[C@]1(C)c1cccc2ccccc21 ZINC000028571983 563059455 /nfs/dbraw/zinc/05/94/55/563059455.db2.gz DVKDXGDRDHMPRP-VWLOTQADSA-N 0 0 448.523 3.249 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccc(F)cc2F)O1 ZINC000028974531 563071308 /nfs/dbraw/zinc/07/13/08/563071308.db2.gz VOCYHUBFCKNORO-ONSXPEOJSA-N 0 0 425.332 3.032 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccc(F)c2F)O1 ZINC000028974496 563071372 /nfs/dbraw/zinc/07/13/72/563071372.db2.gz ZETKNYMMYZRTLX-YBKRRLQSSA-N 0 0 425.332 3.032 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cc(F)ccc2F)O1 ZINC000028974548 563071436 /nfs/dbraw/zinc/07/14/36/563071436.db2.gz XHVBOPHNTXLXJC-IZPCHGGPSA-N 0 0 425.332 3.032 1 0 IGAFRN CCN(CC)c1nc(NC[C@H](O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc21 ZINC000029415608 563080027 /nfs/dbraw/zinc/08/00/27/563080027.db2.gz JVYYQAOKYQRJCG-SFHVURJKSA-N 0 0 428.489 3.050 1 0 IGAFRN COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CC(C)=O)CC2 ZINC000029466719 563080414 /nfs/dbraw/zinc/08/04/14/563080414.db2.gz WHCRDQXQNLIIDN-INIZCTEOSA-N 0 0 443.521 3.241 1 0 IGAFRN Cc1cc(C)c2ncn([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)c(=O)c2c1 ZINC000029557980 563082173 /nfs/dbraw/zinc/08/21/73/563082173.db2.gz XHLFGGWEAAYUCN-IVZQSRNASA-N 0 0 425.439 3.032 1 0 IGAFRN CON(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1 ZINC000029560712 563082331 /nfs/dbraw/zinc/08/23/31/563082331.db2.gz GLVBKGIWEPFSAW-VXKWHMMOSA-N 0 0 445.604 3.235 1 0 IGAFRN COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1C ZINC000033965612 563085135 /nfs/dbraw/zinc/08/51/35/563085135.db2.gz UZLPGHLBOISUPH-UHFFFAOYSA-N 0 0 441.431 3.015 1 0 IGAFRN CC(=O)SC[C@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000033971176 563085140 /nfs/dbraw/zinc/08/51/40/563085140.db2.gz KKBIUAUSZKGNOA-KXBFYZLASA-N 0 0 443.521 3.102 1 0 in-man IGAFRN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)CN1CCOCC1)CC2 ZINC000035034007 563088896 /nfs/dbraw/zinc/08/88/96/563088896.db2.gz FZGGBUJXFKMSOR-QHCPKHFHSA-N 0 0 430.932 3.164 1 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3ccc(Cl)cc3NC(=O)[C@@]12C ZINC000036387202 563094518 /nfs/dbraw/zinc/09/45/18/563094518.db2.gz GGNXPBORIIIXHK-JYISGYRJSA-N 0 0 440.883 3.436 3 0 IGAFRN CCOC(=O)C1=CC[C@@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC ZINC000036387619 563094648 /nfs/dbraw/zinc/09/46/48/563094648.db2.gz LBFRMZFYOCPLAM-AZUAARDMSA-N 0 0 447.509 3.145 3 0 IGAFRN CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1/C=C/C(C)(C)C ZINC000038151285 563096588 /nfs/dbraw/zinc/09/65/88/563096588.db2.gz FOQUDYNARPVZJA-VAWYXSNFSA-N 0 0 431.558 3.455 1 0 IGAFRN COC(=O)C1=C2CCC3=C2[C@@]2(C1)C1=NC[C@@H](C)[C@]14CC[C@@]2(COC(C)=O)[C@H](CC3)[C@H]4O ZINC000038212242 563097034 /nfs/dbraw/zinc/09/70/34/563097034.db2.gz KCRZOEFHAZOKQB-HMLMFSKASA-N 0 0 425.525 3.141 1 0 IGAFRN C[C@@H](Nc1nc(N)nc(-c2cccc(C[C@@H]([NH3+])C(=O)[O-])c2)n1)c1ccc2ccccc2c1 ZINC000040393079 563100112 /nfs/dbraw/zinc/10/01/12/563100112.db2.gz ZBHARZHGNFBVLK-JLTOFOAXSA-N 0 0 428.496 3.402 1 0 IGAFRN C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(=O)N3CCOCC3)cc2)S1)c1ccc(F)cc1 ZINC000040393714 563100300 /nfs/dbraw/zinc/10/03/00/563100300.db2.gz HSWRSJVMGAZCAR-NPMXOYFQSA-N 0 0 441.528 3.494 1 0 IGAFRN Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2F)n1C(C)C ZINC000040835997 563107223 /nfs/dbraw/zinc/10/72/23/563107223.db2.gz IOKHECWXZNKBBH-UHFFFAOYSA-N 0 0 437.523 3.500 1 0 IGAFRN CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040873191 563109090 /nfs/dbraw/zinc/10/90/90/563109090.db2.gz SGMXIIBNLPOUAX-UXHICEINSA-N 0 0 449.532 3.367 1 0 IGAFRN COC(=O)[C@@H]1Cc2c(OC)cc(OC)c(OC)c2-c2cc3c(cc2C[C@H]1OC)OCO3 ZINC000040895831 563110398 /nfs/dbraw/zinc/11/03/98/563110398.db2.gz PSZQHRCYUYZKHC-HZPDHXFCSA-N 0 0 430.453 3.011 1 0 IGAFRN CN1CCOc2cc(S(=O)(=O)NCCCNc3ccnc4cc(Cl)ccc43)ccc21 ZINC000040896594 563110458 /nfs/dbraw/zinc/11/04/58/563110458.db2.gz IXFFKTJWWMVZON-UHFFFAOYSA-N 0 0 446.960 3.497 1 0 IGAFRN CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccco1)n2CCC(N)=O ZINC000040937790 563113040 /nfs/dbraw/zinc/11/30/40/563113040.db2.gz DTEATKAMUSGFKQ-UHFFFAOYSA-N 0 0 437.500 3.300 1 0 IGAFRN CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccncc1)n2CCC(N)=O ZINC000040937833 563113070 /nfs/dbraw/zinc/11/30/70/563113070.db2.gz UOGKOLZEFSRTAM-UHFFFAOYSA-N 0 0 448.527 3.102 1 0 IGAFRN COc1ccc(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1 ZINC000040976188 563115410 /nfs/dbraw/zinc/11/54/10/563115410.db2.gz KDCLKSQWABSKKF-UHFFFAOYSA-N 0 0 438.513 3.280 1 0 IGAFRN O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1 ZINC000043203062 563119462 /nfs/dbraw/zinc/11/94/62/563119462.db2.gz RSPGODWWHKNLIZ-JOCHJYFZSA-N 0 0 448.498 3.178 1 0 IGAFRN O[C@H](CNc1ccnc(Nc2cccc(OCCCN3CCOCC3)c2)n1)c1ccccc1 ZINC000045194016 563124215 /nfs/dbraw/zinc/12/42/15/563124215.db2.gz JQCBGQWPNZZHPN-HSZRJFAPSA-N 0 0 449.555 3.467 1 0 IGAFRN C[C@@H]1[NH2+]CCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)[O-])C4=O)cc21 ZINC000045300680 563129118 /nfs/dbraw/zinc/12/91/18/563129118.db2.gz CGMMFXNMEFVXNL-ZBEGNZNMSA-N 0 0 431.439 3.287 1 0 IGAFRN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000049067932 563137455 /nfs/dbraw/zinc/13/74/55/563137455.db2.gz UWDDTABHGITVJO-UHFFFAOYSA-N 0 0 429.420 3.370 1 0 in-vivo IGAFRN N=c1oc2ccccc2cc1C(=O)NCCCCCNC(=O)c1cc2ccccc2oc1=N ZINC000049783615 563139550 /nfs/dbraw/zinc/13/95/50/563139550.db2.gz RNSWOTUNQALJDL-UHFFFAOYSA-N 0 0 444.491 3.468 1 0 IGAFRN CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860186 563146796 /nfs/dbraw/zinc/14/67/96/563146796.db2.gz PKCCKZIQHMGGEH-AEFFLSMTSA-N 0 0 427.578 3.125 3 0 IGAFRN O=C(NCc1ccccc1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061928998 563150395 /nfs/dbraw/zinc/15/03/95/563150395.db2.gz CCKROEYKODJIIN-MRXNPFEDSA-N 0 0 431.539 3.234 3 0 IGAFRN CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3ccc(Cl)[nH]3)sc2C1 ZINC000066066416 563157114 /nfs/dbraw/zinc/15/71/14/563157114.db2.gz VFPXGDDIPBZISK-UHFFFAOYSA-N 0 0 429.933 3.295 1 0 IGAFRN COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(OCCF)cc2)CC1 ZINC000066124030 563159351 /nfs/dbraw/zinc/15/93/51/563159351.db2.gz DVOOPMVLADILTK-SNAWJCMRSA-N 0 0 427.520 3.152 1 0 IGAFRN NS(=O)(=O)c1ccc(Nc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000066258409 563160232 /nfs/dbraw/zinc/16/02/32/563160232.db2.gz MCTUBMUVCYFXOV-UHFFFAOYSA-N 0 0 426.885 3.430 1 0 IGAFRN Cc1cc(C(=O)NC2CCN([C@@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)[nH]n1 ZINC000072184906 563167870 /nfs/dbraw/zinc/16/78/70/563167870.db2.gz VXOPEXHNHPAYSO-FQEVSTJZSA-N 0 0 428.899 3.284 1 0 IGAFRN NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073163398 563169568 /nfs/dbraw/zinc/16/95/68/563169568.db2.gz VBMYTMZKJLTLPO-UKRRQHHQSA-N 0 0 442.887 3.096 1 0 IGAFRN COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2cncc(F)c2)ccc1-n1cnc(C)c1 ZINC000073198296 563170016 /nfs/dbraw/zinc/17/00/16/563170016.db2.gz PYIFQPHKHQKXCO-IFFFKVKWSA-N 0 0 449.486 3.392 1 0 IGAFRN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(C(=O)CNc2ccccc2N)c2ccccc12 ZINC000073220128 563170427 /nfs/dbraw/zinc/17/04/27/563170427.db2.gz AYLLPGXNIUFCIM-JOCHJYFZSA-N 0 0 447.495 3.167 1 0 IGAFRN COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCCCC2)cc1NC(C)=O ZINC000073293836 563171994 /nfs/dbraw/zinc/17/19/94/563171994.db2.gz LDJDHSINBFNMFS-UHFFFAOYSA-N 0 0 447.557 3.131 1 0 in-vitro IGAFRN O=C(NCCCNc1nc(Nc2ccc(-n3cncn3)cc2)ncc1C1CC1)C1CCC1 ZINC000095561344 563182396 /nfs/dbraw/zinc/18/23/96/563182396.db2.gz UNJQFYGCPVIKPA-UHFFFAOYSA-N 0 0 432.532 3.397 1 0 IGAFRN CCCCn1nnnc1[C@@H](CCSC)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095569141 563184027 /nfs/dbraw/zinc/18/40/27/563184027.db2.gz GFBCNOSXCBJKJM-LJQANCHMSA-N 0 0 429.594 3.248 3 0 IGAFRN CNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2Cl)ncc1C(F)(F)F ZINC000095575205 563185616 /nfs/dbraw/zinc/18/56/16/563185616.db2.gz SVEVIOJHBKLRMH-UHFFFAOYSA-N 0 0 445.829 3.415 1 0 IGAFRN Cc1cc([C@@]2(c3cccc(-c4cncnc4)c3)NC(=N)c3c2cccc3F)cn(C)c1=O ZINC000095577643 563186410 /nfs/dbraw/zinc/18/64/10/563186410.db2.gz PWBMZGIIIRTNKV-RUZDIDTESA-N 0 0 425.467 3.301 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCc2ccc(C)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593771 563190795 /nfs/dbraw/zinc/19/07/95/563190795.db2.gz RTVPASBYBBBJDN-KOSHJBKYSA-N 0 0 427.497 3.374 1 0 IGAFRN CCCC[C@@H](NC(=O)OCC1(c2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1cc[nH]n1 ZINC000095596124 563191439 /nfs/dbraw/zinc/19/14/39/563191439.db2.gz OONAUXJVVJPGFH-QGZVFWFLSA-N 0 0 430.480 3.463 1 0 IGAFRN Cc1cc(C(=O)Nc2ccc(C)c(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1 ZINC000095601889 563193002 /nfs/dbraw/zinc/19/30/02/563193002.db2.gz PORBJAAHGWZDRB-UHFFFAOYSA-N 0 0 445.483 3.473 1 0 IGAFRN Cc1cc(=O)[nH]c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3Cl)ccc12 ZINC000095921058 563195049 /nfs/dbraw/zinc/19/50/49/563195049.db2.gz QJNFNCVAIRRBKM-UHFFFAOYSA-N 0 0 425.916 3.219 1 0 in-vitro IGAFRN COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1 ZINC000096170257 563195607 /nfs/dbraw/zinc/19/56/07/563195607.db2.gz QZAPVCQJMBTNGH-UHFFFAOYSA-N 0 0 443.459 3.111 1 0 IGAFRN CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1 ZINC000096175586 563196266 /nfs/dbraw/zinc/19/62/66/563196266.db2.gz UNGGQKXBNILEOQ-UHFFFAOYSA-N 0 0 446.515 3.068 1 0 IGAFRN Cc1n[nH]c2c1cc(C(=O)N1CCC3(CC1)Cc1cnn(C(C)(C)C)c1C(=O)N3)cc2C ZINC000096283385 563197185 /nfs/dbraw/zinc/19/71/85/563197185.db2.gz NMQRSNGVNQRDDW-UHFFFAOYSA-N 0 0 434.544 3.092 1 0 IGAFRN CN(CCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)C[S@@]2=O)cc1)c1ccccn1 ZINC000096906211 563197598 /nfs/dbraw/zinc/19/75/98/563197598.db2.gz NZCFSJWZAWEWED-QXNWPYRLSA-N 0 0 435.549 3.387 1 0 IGAFRN CC[C@H](CO)NC(=O)Nc1ccc(Cc2ccc(NC(=O)N[C@H](CC)CO)cc2)cc1 ZINC000096909347 563197709 /nfs/dbraw/zinc/19/77/09/563197709.db2.gz KKQIQCYQVBQSAI-RTBURBONSA-N 0 0 428.533 3.062 1 0 IGAFRN COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](O)[C@](C)(O)[C@H](C)C2 ZINC000070455336 291357538 /nfs/dbraw/zinc/35/75/38/291357538.db2.gz RENKUVKNQJCSQP-JCCAUCAJSA-N 0 0 448.512 3.382 1 0 biogenic,in-vitro IGAFRN O=C(Cn1c(CO)nc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003477463 132265789 /nfs/dbraw/zinc/26/57/89/132265789.db2.gz UUYQKYXIYHIEBZ-UHFFFAOYSA-N 0 0 434.418 3.023 3 0 IGAFRN C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3)C(=O)[C@@H]21 ZINC000004056865 132269114 /nfs/dbraw/zinc/26/91/14/132269114.db2.gz RSSGZZGOMCPFEH-PDIWNELESA-N 0 0 447.510 3.490 1 0 IGAFRN O=C(c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)N1CCN(c2ccccc2F)CC1 ZINC000009490081 132319262 /nfs/dbraw/zinc/31/92/62/132319262.db2.gz DPPCDERPQRCHKO-TXKCWOHGSA-N 0 0 445.494 3.100 1 0 IGAFRN COC(=O)CCc1cc2c(c(OC)c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H]2C(=O)OC ZINC000001645371 562923716 /nfs/dbraw/zinc/92/37/16/562923716.db2.gz VYPDDYLRLTWJLX-NHCUHLMSSA-N 0 0 430.453 3.208 1 0 IGAFRN CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1COc2ccccc2O1 ZINC000002971202 562931340 /nfs/dbraw/zinc/93/13/40/562931340.db2.gz AMFRKAFQIJKJSF-INIZCTEOSA-N 0 0 439.537 3.245 3 0 IGAFRN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CCO)C2=O)c1 ZINC000003795087 562938122 /nfs/dbraw/zinc/93/81/22/562938122.db2.gz FEDPHEUPXHITDF-HSZRJFAPSA-N 0 0 428.492 3.319 1 0 IGAFRN O=C1N(CC2CC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1 ZINC000003810793 562938370 /nfs/dbraw/zinc/93/83/70/562938370.db2.gz YMTOUOZOBVYCFQ-XPGKHFPBSA-N 0 0 434.580 3.488 1 0 IGAFRN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C)cc1 ZINC000004119237 562942178 /nfs/dbraw/zinc/94/21/78/562942178.db2.gz YYTIMHCPHWAKOV-UHFFFAOYSA-N 0 0 432.590 3.380 3 0 IGAFRN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C(C)C)cc1 ZINC000006578027 562948013 /nfs/dbraw/zinc/94/80/13/562948013.db2.gz SWGLVHVJYKFICX-UHFFFAOYSA-N 0 0 444.557 3.265 3 0 IGAFRN Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCc3ccccc3F)cc1CC2 ZINC000008588921 562950960 /nfs/dbraw/zinc/95/09/60/562950960.db2.gz DZEXVZXANQIJLI-UHFFFAOYSA-N 0 0 436.487 3.242 1 0 IGAFRN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000008589325 562951119 /nfs/dbraw/zinc/95/11/19/562951119.db2.gz WDEIGTNXUTVSII-HXUWFJFHSA-N 0 0 441.553 3.041 1 0 IGAFRN Cc1ccccc1Cn1nnc2c1nc([C@H]1CCCN(C(=O)c3ccc(F)cc3)C1)[nH]c2=O ZINC000008611587 562958708 /nfs/dbraw/zinc/95/87/08/562958708.db2.gz NOLAIFFHFWRPFY-SFHVURJKSA-N 0 0 446.486 3.030 1 0 IGAFRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008673007 562961162 /nfs/dbraw/zinc/96/11/62/562961162.db2.gz YXPQVXIGAQQXOH-LIRRHRJNSA-N 0 0 429.517 3.489 3 0 IGAFRN CC1(C)S[C@@H]2[C@H](C(=O)OCc3ccccc3)NC(=O)N2[C@H]1C(=O)OCc1ccccc1 ZINC000012479026 562982350 /nfs/dbraw/zinc/98/23/50/562982350.db2.gz LPXALDJLBWHJBQ-CEXWTWQISA-N 0 0 440.521 3.087 3 0 IGAFRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1F ZINC000013086226 562984306 /nfs/dbraw/zinc/98/43/06/562984306.db2.gz JZOPEMBVMHINIY-LIRRHRJNSA-N 0 0 429.517 3.489 3 0 IGAFRN COc1cccc(N(C(=O)[C@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150666 562985437 /nfs/dbraw/zinc/98/54/37/562985437.db2.gz FVCCKRYWICTWQP-UZLBHIALSA-N 0 0 441.553 3.359 3 0 IGAFRN CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1 ZINC000013444585 562986770 /nfs/dbraw/zinc/98/67/70/562986770.db2.gz RHEMXJFXAARMOY-UHFFFAOYSA-N 0 0 431.577 3.288 1 0 IGAFRN O=C(Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1F)NCc1ccncc1 ZINC000013527405 562991801 /nfs/dbraw/zinc/99/18/01/562991801.db2.gz JJIYSOTZFHZHQI-UHFFFAOYSA-N 0 0 431.464 3.161 1 0 IGAFRN CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1n[nH]cc1C(=O)OCC ZINC000013559136 562993671 /nfs/dbraw/zinc/99/36/71/562993671.db2.gz WJDGWVSEUIRGAL-HNNXBMFYSA-N 0 0 438.525 3.060 1 0 IGAFRN CN(C)S(=O)(=O)c1ccc(Nc2nc3nc[nH]c3c(OCC3CCCCC3)n2)cc1 ZINC000013580916 562994575 /nfs/dbraw/zinc/99/45/75/562994575.db2.gz HAVTUEFHYMRXDG-UHFFFAOYSA-N 0 0 430.534 3.306 1 0 IGAFRN O=C1C[C@@]2(N1)C(=O)N(Cc1nc3cc(C(F)(F)F)ccc3s1)C(=O)c1ccc(F)cc12 ZINC000013601468 562996834 /nfs/dbraw/zinc/99/68/34/562996834.db2.gz QVTBUTYCMLEPQV-IBGZPJMESA-N 0 0 449.385 3.352 1 0 IGAFRN COc1ccc(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCF)c1 ZINC000013605344 562997215 /nfs/dbraw/zinc/99/72/15/562997215.db2.gz QGJDCUDOYODYQA-SSEXGKCCSA-N 0 0 429.473 3.394 1 0 IGAFRN O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1 ZINC000013673218 563000225 /nfs/dbraw/zinc/00/02/25/563000225.db2.gz MAOZUYDDGGFCKF-ZDUSSCGKSA-N 0 0 439.896 3.132 1 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nccs1 ZINC000013738806 563002886 /nfs/dbraw/zinc/00/28/86/563002886.db2.gz LPDUJIYPFMOVDG-OALUTQOASA-N 0 0 425.554 3.331 1 0 IGAFRN COc1ccccc1N1CCN(CCN(C)C(=O)[C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000013757333 563004547 /nfs/dbraw/zinc/00/45/47/563004547.db2.gz ZHOHSCVJNOKADU-JOCHJYFZSA-N 0 0 437.584 3.404 1 0 IGAFRN COCCCN(CCOC)c1nc(C)nc2c1ncn2-c1c(Cl)cc(OC)cc1OC ZINC000013795034 563007189 /nfs/dbraw/zinc/00/71/89/563007189.db2.gz NGTQGJQTVUJPJE-UHFFFAOYSA-N 0 0 449.939 3.284 1 0 IGAFRN O=C(NCCN1CCOCC1)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829096 563010888 /nfs/dbraw/zinc/01/08/88/563010888.db2.gz HYAWSCSTPPFRAZ-YOGOOIESSA-N 0 0 426.479 3.106 3 0 IGAFRN O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 ZINC000013859882 563012368 /nfs/dbraw/zinc/01/23/68/563012368.db2.gz INULYJUFVOFQOR-FQEVSTJZSA-N 0 0 428.554 3.101 1 0 IGAFRN O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000013864306 563013557 /nfs/dbraw/zinc/01/35/57/563013557.db2.gz ZPHNPDOWNMOBPA-UHFFFAOYSA-N 0 0 443.887 3.134 1 0 IGAFRN COC(=O)c1ccccc1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943130 563019998 /nfs/dbraw/zinc/01/99/98/563019998.db2.gz VYKUKCYBGILKIB-MRXNPFEDSA-N 0 0 445.479 3.185 3 0 IGAFRN C[C@H](NC(=O)c1nc[nH]c1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C ZINC000015953067 563020414 /nfs/dbraw/zinc/02/04/14/563020414.db2.gz LEPOOZSCPFHWQQ-INIZCTEOSA-N 0 0 448.523 3.389 3 0 IGAFRN COc1cccc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)CC2=O)c1 ZINC000016689619 563021050 /nfs/dbraw/zinc/02/10/50/563021050.db2.gz KDOLUAVWAORGHT-KRWDZBQOSA-N 0 0 434.492 3.075 3 0 IGAFRN CSc1ccc(-c2ccc(C(=O)NC[C@H]3CCCO3)c(N3CCC(O)CC3)n2)cc1 ZINC000019145743 563022485 /nfs/dbraw/zinc/02/24/85/563022485.db2.gz RGBBSNVOUGFAFN-GOSISDBHSA-N 0 0 427.570 3.340 1 0 IGAFRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000019211184 563022488 /nfs/dbraw/zinc/02/24/88/563022488.db2.gz KXNUISJJBNGNMP-NRFANRHFSA-N 0 0 425.558 3.168 3 0 IGAFRN Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 ZINC000020109169 563023718 /nfs/dbraw/zinc/02/37/18/563023718.db2.gz FOIUBNUCXUXUPK-UHFFFAOYSA-N 0 0 438.503 3.342 3 0 IGAFRN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)c1 ZINC000022907231 563025738 /nfs/dbraw/zinc/02/57/38/563025738.db2.gz SALAGFVAPQTVLN-FQEVSTJZSA-N 0 0 442.537 3.375 3 0 IGAFRN COc1ccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000024119362 563027265 /nfs/dbraw/zinc/02/72/65/563027265.db2.gz OLEBDHFJFRHPFI-UHFFFAOYSA-N 0 0 439.600 3.062 1 0 IGAFRN CC(=O)OCCCN1c2ccc(Cl)cc2C(c2ccccc2)=N[C@H](OC(C)=O)C1=O ZINC000026152055 563029041 /nfs/dbraw/zinc/02/90/41/563029041.db2.gz KQIHMBHBEXNKDC-OAQYLSRUSA-N 0 0 428.872 3.366 1 0 IGAFRN CC1=C(C(=O)OCCCCO[N+](=O)[O-])[C@H](c2cccc3nonc32)C([N+](=O)[O-])=C(C)C1 ZINC000026576662 563033744 /nfs/dbraw/zinc/03/37/44/563033744.db2.gz INXAGSPTXPGFOL-INIZCTEOSA-N 0 0 432.389 3.109 1 0 IGAFRN CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CC(=O)c1ccccc1 ZINC000026655330 563034794 /nfs/dbraw/zinc/03/47/94/563034794.db2.gz XNBZPUTXDSDWAO-KRWDZBQOSA-N 0 0 443.308 3.182 1 0 IGAFRN CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCOc1ccccc1 ZINC000026657922 563034903 /nfs/dbraw/zinc/03/49/03/563034903.db2.gz KUUIAEGTCZAGKP-QGZVFWFLSA-N 0 0 445.324 3.378 1 0 IGAFRN CC(C)n1cnc2c1nc(NC[C@@H](O)CO)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000026664435 563035068 /nfs/dbraw/zinc/03/50/68/563035068.db2.gz PLJOJDPNUGVHAF-HXUWFJFHSA-N 0 0 432.528 3.451 1 0 IGAFRN [NH3+][C@@]12C=CC=C[C@H]1CN(c1c(F)cc3c(=O)c(C(=O)[O-])cn([C@@H]4C[C@@H]4F)c3c1Cl)C2 ZINC000026936074 563037893 /nfs/dbraw/zinc/03/78/93/563037893.db2.gz VDHHYDXQKQWYMJ-QCODWHEGSA-N 0 0 433.842 3.035 1 0 IGAFRN COc1cc2c(c(OC)c1OC)-c1cc/c(=N/CCF)c(O)cc1[C@H](NC(C)=O)CC2 ZINC000026982206 563038514 /nfs/dbraw/zinc/03/85/14/563038514.db2.gz SITHSWRYDSRGHI-QGZVFWFLSA-N 0 0 430.476 3.079 1 0 IGAFRN CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)CC[C@@H](C)Cc1ccccc1 ZINC000027097576 563039440 /nfs/dbraw/zinc/03/94/40/563039440.db2.gz PWUXNAGOBAFCRC-HLAWJBBLSA-N 0 0 446.588 3.203 1 0 IGAFRN [NH3+][C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1c1ccc(F)cc1 ZINC000027414708 563041938 /nfs/dbraw/zinc/04/19/38/563041938.db2.gz CBKGLSWJJCVAAM-QAPCUYQASA-N 0 0 443.425 3.383 1 0 IGAFRN CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000027631644 563044839 /nfs/dbraw/zinc/04/48/39/563044839.db2.gz VROWJYQEPHGYOE-UHFFFAOYSA-N 0 0 447.440 3.075 1 0 IGAFRN COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)N(C(C)C)C(C)C)C1)N2 ZINC000028529883 563057476 /nfs/dbraw/zinc/05/74/76/563057476.db2.gz OKTOVKZHGZZQQT-HSZRJFAPSA-N 0 0 441.532 3.489 1 0 IGAFRN CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)NCc1cccc(F)c1 ZINC000028702155 563061504 /nfs/dbraw/zinc/06/15/04/563061504.db2.gz LTPSIGXBQKDNCH-IBGZPJMESA-N 0 0 426.448 3.254 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cc(F)cc(F)c2)O1 ZINC000028974580 563071397 /nfs/dbraw/zinc/07/13/97/563071397.db2.gz GNFAFBVSLUZXIL-MLNJSSBLSA-N 0 0 425.332 3.032 1 0 IGAFRN COC(=O)CCN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)OC)c3)o2)C1=O ZINC000029044124 563072427 /nfs/dbraw/zinc/07/24/27/563072427.db2.gz JHSFKQKKUQGYKY-YBEGLDIGSA-N 0 0 431.422 3.038 1 0 IGAFRN CCOC(=O)c1nn2c(c1C(=O)OCC)c1cc(-n3cccc3)c(Cl)cc1[nH]c2=O ZINC000029060689 563073689 /nfs/dbraw/zinc/07/36/89/563073689.db2.gz JUXYVFWRUWUFNJ-UHFFFAOYSA-N 0 0 428.832 3.386 1 0 IGAFRN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(=O)C(=O)N1CCCC1)CC2 ZINC000029124119 563074108 /nfs/dbraw/zinc/07/41/08/563074108.db2.gz LKHHBJGPCCWJGU-OAQYLSRUSA-N 0 0 428.916 3.454 1 0 IGAFRN C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NCC(C)(C)C)cs4)cc3n21 ZINC000029127922 563075033 /nfs/dbraw/zinc/07/50/33/563075033.db2.gz JGNZTJUQNULPSL-LBPRGKRZSA-N 0 0 439.541 3.430 1 0 IGAFRN CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000029130275 563075514 /nfs/dbraw/zinc/07/55/14/563075514.db2.gz ICVTXAUKIHJDGV-WFOQEEKOSA-N 0 0 448.512 3.448 1 0 in-vivo IGAFRN C[C@@H](n1cnc2ccc(Cl)cc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029557921 563082223 /nfs/dbraw/zinc/08/22/23/563082223.db2.gz UEBNCJOFRFVAAN-MPBGBICISA-N 0 0 431.830 3.069 1 0 IGAFRN O=C(Nc1ccc2c(c1)NC(=O)[C@H](CCO)O2)C1CCN(c2cc(F)c(F)c(F)c2)CC1 ZINC000034642940 563086780 /nfs/dbraw/zinc/08/67/80/563086780.db2.gz OSJROQUTACPGAR-IBGZPJMESA-N 0 0 449.429 3.041 1 0 IGAFRN COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(OC)c(OC)cc2NC1=O ZINC000034662035 563086925 /nfs/dbraw/zinc/08/69/25/563086925.db2.gz QSOFWUGUATYHBX-QHCPKHFHSA-N 0 0 445.475 3.258 1 0 IGAFRN O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCSCCCOCCc1ccccc1)ccc2[O-] ZINC000034946053 563088544 /nfs/dbraw/zinc/08/85/44/563088544.db2.gz UOORDUXSYBHJCF-IBGZPJMESA-N 0 0 448.610 3.301 1 0 IGAFRN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(=O)CN1CCOCC1)CC2 ZINC000035034009 563089000 /nfs/dbraw/zinc/08/90/00/563089000.db2.gz FZGGBUJXFKMSOR-HSZRJFAPSA-N 0 0 430.932 3.164 1 0 IGAFRN CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CC3)c3ccccc32)CC1 ZINC000035242658 563089557 /nfs/dbraw/zinc/08/95/57/563089557.db2.gz RDDQQXWHCVOCBG-UHFFFAOYSA-N 0 0 443.569 3.258 1 0 IGAFRN COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(O)c1OC ZINC000035801180 563089918 /nfs/dbraw/zinc/08/99/18/563089918.db2.gz AEHBVQHJSNELOD-PGICJIBASA-N 0 0 432.469 3.376 1 0 IGAFRN Cc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O ZINC000036382824 563094122 /nfs/dbraw/zinc/09/41/22/563094122.db2.gz LNZVADYKHFXTQO-UHFFFAOYSA-N 0 0 428.492 3.245 1 0 IGAFRN O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000036473680 563095401 /nfs/dbraw/zinc/09/54/01/563095401.db2.gz NMVXSZDFDXECQK-UHFFFAOYSA-N 0 0 431.473 3.112 1 0 IGAFRN Cc1cccc(Nc2nccc(Nc3cccc(C(=O)NCCN4CCOCC4)c3)n2)c1 ZINC000039301137 563099069 /nfs/dbraw/zinc/09/90/69/563099069.db2.gz MUPFAUQJRWXEFA-UHFFFAOYSA-N 0 0 432.528 3.334 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cn(C)c4ccccc34)C(=O)O2)cc1 ZINC000040407526 563101426 /nfs/dbraw/zinc/10/14/26/563101426.db2.gz OTCSXQIUVAXJNR-QAKGTIEWSA-N 0 0 434.492 3.163 1 0 IGAFRN O=C(Cn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)c1ccc(Br)cc1 ZINC000040420673 563102136 /nfs/dbraw/zinc/10/21/36/563102136.db2.gz IGKTVKNKBJAEFA-UHFFFAOYSA-N 0 0 440.297 3.414 1 0 IGAFRN C[C@H](Nc1c(-c2c(F)cc(OCCO)cc2F)c(Cl)nc2ncnn21)C(F)(F)F ZINC000040577217 563105385 /nfs/dbraw/zinc/10/53/85/563105385.db2.gz LQUQZWNUVMXWOH-ZETCQYMHSA-N 0 0 437.756 3.457 1 0 IGAFRN CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(NCCN2CCOCC2)ncn1 ZINC000040763987 563106520 /nfs/dbraw/zinc/10/65/20/563106520.db2.gz HWLSEFZNSVILGW-UHFFFAOYSA-N 0 0 425.320 3.196 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cnc4ccccc4c3)C(=O)O2)cc1 ZINC000040895568 563110372 /nfs/dbraw/zinc/11/03/72/563110372.db2.gz DEQHLCSNLCBPHA-XSVRQMNWSA-N 0 0 432.476 3.219 1 0 IGAFRN O=C1CC[C@@](c2cccnc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040976169 563115405 /nfs/dbraw/zinc/11/54/05/563115405.db2.gz KNJCWXBUFYMYIS-QFIPXVFZSA-N 0 0 442.357 3.431 1 0 IGAFRN CC(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000043070660 563118082 /nfs/dbraw/zinc/11/80/82/563118082.db2.gz DDNABHAQYYBVSZ-VXKWHMMOSA-N 0 0 440.540 3.413 1 0 IGAFRN Cc1cnc(Nc2cc(N3CCN(C)CC3)nc(N[C@@H](C)c3ccc(F)cn3)n2)s1 ZINC000043200596 563119357 /nfs/dbraw/zinc/11/93/57/563119357.db2.gz RIZYPSQRIHNRNS-AWEZNQCLSA-N 0 0 428.541 3.444 1 0 IGAFRN Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NC[C@H](O)c3ccccc3)nn2)CC1 ZINC000045348601 563132068 /nfs/dbraw/zinc/13/20/68/563132068.db2.gz QTBRDMNOZGAPAG-QHCPKHFHSA-N 0 0 444.535 3.348 1 0 IGAFRN Cc1nnsc1/C(Br)=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1 ZINC000049068441 563137636 /nfs/dbraw/zinc/13/76/36/563137636.db2.gz WRHYKUVPQOKKGD-PFONDFGASA-N 0 0 435.347 3.353 1 0 IGAFRN CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)Nc4ccon4)ccc3C)c2c1C ZINC000058660604 563145982 /nfs/dbraw/zinc/14/59/82/563145982.db2.gz MCTUUCHJENITIK-UHFFFAOYSA-N 0 0 433.472 3.470 1 0 in-vitro IGAFRN Cn1c2ccc(C(=O)NCCCC(=O)NC3CC3)cc2c2c1CC[C@H](C1CCOCC1)C2 ZINC000059051184 563146147 /nfs/dbraw/zinc/14/61/47/563146147.db2.gz TUAPMXUWLPZNSB-SFHVURJKSA-N 0 0 437.584 3.498 1 0 IGAFRN Cn1c2ccc(C(=O)NCCCC(=O)NC3CC3)cc2c2c1CC[C@@H](C1CCOCC1)C2 ZINC000059051187 563146175 /nfs/dbraw/zinc/14/61/75/563146175.db2.gz TUAPMXUWLPZNSB-GOSISDBHSA-N 0 0 437.584 3.498 1 0 IGAFRN CC(=O)Oc1ccc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061895657 563147170 /nfs/dbraw/zinc/14/71/70/563147170.db2.gz OFDRGGUCRYLZMU-JOCHJYFZSA-N 0 0 430.464 3.124 3 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000061920950 563149162 /nfs/dbraw/zinc/14/91/62/563149162.db2.gz UBDPHTIJLJVAEF-IBGZPJMESA-N 0 0 427.545 3.387 3 0 IGAFRN COc1ccc(NC(=O)[C@]2(C)Cc3c(nccc3-c3cccc(C(N)=O)c3)O2)cc1OC ZINC000061931003 563150768 /nfs/dbraw/zinc/15/07/68/563150768.db2.gz RRSHRXQWPOIXFE-DEOSSOPVSA-N 0 0 433.464 3.197 3 0 IGAFRN CCOC(=O)c1cc2c(c(-c3ccccc3)n1)[C@@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 ZINC000061943330 563150976 /nfs/dbraw/zinc/15/09/76/563150976.db2.gz HQWNYLANZZFTSP-GOSISDBHSA-N 0 0 432.542 3.293 3 0 IGAFRN COc1cc(NC(=O)c2nc[nH]c2C(N)=O)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000061949452 563151849 /nfs/dbraw/zinc/15/18/49/563151849.db2.gz GGZVCUKMAATQIX-UHFFFAOYSA-N 0 0 447.373 3.041 3 0 IGAFRN CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958863 563151909 /nfs/dbraw/zinc/15/19/09/563151909.db2.gz BKTUEKAILNBVIQ-MRXNPFEDSA-N 0 0 430.404 3.137 3 0 IGAFRN CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccc(Cl)cc1)C(=O)OC ZINC000062213043 563152058 /nfs/dbraw/zinc/15/20/58/563152058.db2.gz WZWCQAIOXPCSJI-JCGIZDLHSA-N 0 0 435.952 3.233 1 0 IGAFRN COCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000064448190 563153346 /nfs/dbraw/zinc/15/33/46/563153346.db2.gz FZYBXOJGJQQVEQ-VXKWHMMOSA-N 0 0 440.540 3.271 1 0 IGAFRN CC(C)(CNC(=O)C1CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064573797 563156476 /nfs/dbraw/zinc/15/64/76/563156476.db2.gz USFGZWPSRSTMGP-UHFFFAOYSA-N 0 0 429.517 3.334 1 0 IGAFRN O=C1OCC2=Nc3n[nH]cc3[C@H](c3cc(Br)cc(Br)c3O)C12 ZINC000071280634 563161457 /nfs/dbraw/zinc/16/14/57/563161457.db2.gz HEWOOYRHTDFCIG-JTQLQIEISA-N 0 0 427.052 3.009 1 0 IGAFRN Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)CCN(C)C(=O)C2 ZINC000071334617 563162578 /nfs/dbraw/zinc/16/25/78/563162578.db2.gz IZSWZDNSNKSQPS-AWEZNQCLSA-N 0 0 436.556 3.245 1 0 IGAFRN CS(=O)(=O)c1ccc(C(=O)N/C(C(=O)N2CCCCC2)=C(\Cl)c2ccccc2)cc1 ZINC000072177302 563165941 /nfs/dbraw/zinc/16/59/41/563165941.db2.gz ACBONJQSNHDVEC-VXPUYCOJSA-N 0 0 446.956 3.440 1 0 IGAFRN O=S(=O)(c1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072185249 563167997 /nfs/dbraw/zinc/16/79/97/563167997.db2.gz UUYIWDOHTITXDP-NRFANRHFSA-N 0 0 428.945 3.226 1 0 IGAFRN Cc1nc2ccncc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 ZINC000072316500 563168368 /nfs/dbraw/zinc/16/83/68/563168368.db2.gz GHISHXQNZJEFMT-UHFFFAOYSA-N 0 0 430.516 3.234 1 0 IGAFRN COC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000073196099 563169917 /nfs/dbraw/zinc/16/99/17/563169917.db2.gz OZZGTEAWGJDFNN-CALCHBBNSA-N 0 0 448.585 3.136 1 0 IGAFRN COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2ccc(F)cn2)ccc1-n1cnc(C)c1 ZINC000073198295 563170012 /nfs/dbraw/zinc/17/00/12/563170012.db2.gz BWRYOPQHNVLWIK-XMZCUOJSSA-N 0 0 449.486 3.392 1 0 IGAFRN COc1cc2c(cc1OC)[C@H]1CN(C(=O)c3ccc(C(F)(F)F)cc3)CC(=O)N1CC2 ZINC000073218980 563170351 /nfs/dbraw/zinc/17/03/51/563170351.db2.gz CFWDUKXJHSNGCT-QGZVFWFLSA-N 0 0 434.414 3.304 1 0 IGAFRN CCCCn1c(=O)c2cc(OC)c(OC)cc2nc1-c1cccc(NS(C)(=O)=O)c1 ZINC000073220543 563170560 /nfs/dbraw/zinc/17/05/60/563170560.db2.gz QYVAOQFDQFSGSU-UHFFFAOYSA-N 0 0 431.514 3.252 1 0 IGAFRN C[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000073298153 563172201 /nfs/dbraw/zinc/17/22/01/563172201.db2.gz OLPSTWWOAPXNKC-XXBNENTESA-N 0 0 430.504 3.389 1 0 IGAFRN CCNC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 ZINC000084703580 563176571 /nfs/dbraw/zinc/17/65/71/563176571.db2.gz CQKGTOSPJBZTIH-UHFFFAOYSA-N 0 0 438.557 3.391 1 0 IGAFRN COC(=O)/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@@H]1O ZINC000084759254 563179783 /nfs/dbraw/zinc/17/97/83/563179783.db2.gz FNAMRDZHKYQEBA-HGSOZFSJSA-N 0 0 436.932 3.059 1 0 in-man IGAFRN COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1 ZINC000089774818 563180487 /nfs/dbraw/zinc/18/04/87/563180487.db2.gz LAVWIAQCYKFCMG-UHFFFAOYSA-N 0 0 448.308 3.270 1 0 IGAFRN CC(C)c1cc2c(nccc2-c2ccc(S(=O)(=O)NC3CCS(=O)(=O)CC3)cc2)[nH]1 ZINC000095556783 563181517 /nfs/dbraw/zinc/18/15/17/563181517.db2.gz QBYYCHRRPPTEBG-UHFFFAOYSA-N 0 0 447.582 3.209 1 0 in-vitro IGAFRN CN(C(=O)c1ccccc1F)c1nnc(-c2ccc(C[NH+]3CC(C(=O)[O-])C3)cc2)s1 ZINC000095563374 563182913 /nfs/dbraw/zinc/18/29/13/563182913.db2.gz SXZWLQJVHZTMHK-UHFFFAOYSA-N 0 0 426.473 3.137 1 0 IGAFRN Cc1cnc(NC(=O)c2cc3nn(C)cc3c(Oc3ccc(C(=O)N(C)C)cc3)c2)cn1 ZINC000095563803 563182979 /nfs/dbraw/zinc/18/29/79/563182979.db2.gz VFNOJEBCZRXYMG-UHFFFAOYSA-N 0 0 430.468 3.418 1 0 IGAFRN COc1ccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)cc1 ZINC000095572357 563184797 /nfs/dbraw/zinc/18/47/97/563184797.db2.gz NGJKWXIPEUHCJA-GFCCVEGCSA-N 0 0 438.875 3.210 1 0 IGAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OC(F)(F)F)cc3)c3c2ncnc3N)C1 ZINC000095573395 563185065 /nfs/dbraw/zinc/18/50/65/563185065.db2.gz ZMBSAKQLOAAWCL-CYBMUJFWSA-N 0 0 432.406 3.324 1 0 IGAFRN Cc1cc([C@]2(c3cccc(-c4cncnc4)c3)NC(=N)c3c2cccc3F)cn(C)c1=O ZINC000095577644 563186376 /nfs/dbraw/zinc/18/63/76/563186376.db2.gz PWBMZGIIIRTNKV-VWLOTQADSA-N 0 0 425.467 3.301 1 0 IGAFRN N=C1N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095578271 563186579 /nfs/dbraw/zinc/18/65/79/563186579.db2.gz ZPBOQODCXCRRAT-DYJCROTPSA-N 0 0 441.915 3.492 1 0 IGAFRN CNC(=O)Cc1ccc(-c2cc(C)cc(-c3ccc(CC(=O)NC)cc3)c2OCCO)cc1 ZINC000095585331 563188845 /nfs/dbraw/zinc/18/88/45/563188845.db2.gz ZEGUVNVZCCMBEF-UHFFFAOYSA-N 0 0 446.547 3.277 1 0 IGAFRN Cc1cc(CCn2cc(-c3cccnc3)nc2Cn2c3cnccc3n(C3CC3)c2=O)on1 ZINC000095592682 563190569 /nfs/dbraw/zinc/19/05/69/563190569.db2.gz QSGWYXDXBMKIMT-UHFFFAOYSA-N 0 0 441.495 3.379 1 0 IGAFRN O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095599339 563192463 /nfs/dbraw/zinc/19/24/63/563192463.db2.gz OSVYJHOJTLHNKI-YTFSRNRJSA-N 0 0 426.944 3.442 1 0 IGAFRN COc1ccccc1-c1noc2c1C(=O)N(Cc1cn(-c3ccccc3OC)nn1)CC2 ZINC000095601963 563192938 /nfs/dbraw/zinc/19/29/38/563192938.db2.gz QPEFRFDEXHCMQQ-UHFFFAOYSA-N 0 0 431.452 3.138 3 0 IGAFRN CNc1nc(C(F)(F)F)c(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)s1 ZINC000095603317 563193370 /nfs/dbraw/zinc/19/33/70/563193370.db2.gz BXMBIVXDTXURDF-UHFFFAOYSA-N 0 0 430.437 3.052 1 0 IGAFRN O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccc(F)c1 ZINC000095603376 563193468 /nfs/dbraw/zinc/19/34/68/563193468.db2.gz OWCSYIOKNKVFDI-JOCHJYFZSA-N 0 0 443.438 3.318 3 0 IGAFRN CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(Cl)cc3)c(=O)c2O)CC1 ZINC000096173250 563195895 /nfs/dbraw/zinc/19/58/95/563195895.db2.gz UPJZLOCUUOIMNC-UHFFFAOYSA-N 0 0 433.936 3.308 1 0 IGAFRN CC(=O)N[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 ZINC000014637971 291352507 /nfs/dbraw/zinc/35/25/07/291352507.db2.gz UBQCFEASTTXIKB-LOSJGSFVSA-N 0 0 444.531 3.318 1 0 biogenic,in-vitro IGAFRN COc1cc(OC(C)=O)c(OC(C)=O)cc1-c1coc2cc(OC(C)=O)ccc2c1=O ZINC000033834038 291357523 /nfs/dbraw/zinc/35/75/23/291357523.db2.gz JEGLRHUJYPUQBX-UHFFFAOYSA-N 0 0 426.377 3.245 1 0 biogenic,in-vitro IGAFRN CCOP(=O)(OCC)[C@@](C)(CC)NC1=NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1 ZINC000001643711 562923614 /nfs/dbraw/zinc/92/36/14/562923614.db2.gz BGMLAPJXCULMRW-JTQLQIEISA-N 0 0 442.297 3.458 1 0 IGAFRN Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1Cl ZINC000002633774 562928922 /nfs/dbraw/zinc/92/89/22/562928922.db2.gz BELLOUTXMCRZJZ-OAHLLOKOSA-N 0 0 428.272 3.226 3 0 IGAFRN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)NC1CCCCC1)CCS2 ZINC000002719821 562929955 /nfs/dbraw/zinc/92/99/55/562929955.db2.gz FAECFAMYZYKQBO-UHFFFAOYSA-N 0 0 431.583 3.430 3 0 IGAFRN [NH3+][C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1c1ccccc1 ZINC000003777274 562937698 /nfs/dbraw/zinc/93/76/98/562937698.db2.gz FJHKBXPXIQCCFE-QAPCUYQASA-N 0 0 425.435 3.244 1 0 IGAFRN CCCc1nc(C)n2nc(N)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003786591 562937899 /nfs/dbraw/zinc/93/78/99/562937899.db2.gz BTXRCULRNOINGZ-UHFFFAOYSA-N 0 0 425.500 3.405 1 0 IGAFRN Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cnc4ccccc4c1)C(=O)N3CC2 ZINC000003827878 562938993 /nfs/dbraw/zinc/93/89/93/562938993.db2.gz ZHOCQFVWAAJXSH-VWLOTQADSA-N 0 0 447.498 3.313 1 0 IGAFRN Cc1cc2c(ccc(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)c2F)[nH]1 ZINC000003937947 562939523 /nfs/dbraw/zinc/93/95/23/562939523.db2.gz SJTJWXRSXLQPEW-UHFFFAOYSA-N 0 0 447.492 3.077 1 0 IGAFRN COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O ZINC000003958478 562940016 /nfs/dbraw/zinc/94/00/16/562940016.db2.gz YZHNTCMHCNIXKH-FCHUYYIVSA-N 0 0 432.480 3.351 3 0 IGAFRN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c3C2=O)CC1 ZINC000004437362 562943380 /nfs/dbraw/zinc/94/33/80/562943380.db2.gz HSUVXHUKZJJVAT-IAGOWNOFSA-N 0 0 427.545 3.381 3 0 IGAFRN Cc1ccc(C(=O)OC[C@H]2CC[C@@H](n3cc(N(C)C4CCCCC4)c(=O)[nH]c3=O)O2)cc1 ZINC000006004899 562945710 /nfs/dbraw/zinc/94/57/10/562945710.db2.gz SCHMNKOTJDIBKS-CTNGQTDRSA-N 0 0 441.528 3.149 1 0 IGAFRN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)Nc3ccc(C)cc3C)C(C)C)ccc21 ZINC000008595925 562953703 /nfs/dbraw/zinc/95/37/03/562953703.db2.gz ZIJIEKOMEIVLEQ-JOCHJYFZSA-N 0 0 443.569 3.154 1 0 IGAFRN Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1cccc2nsnc21 ZINC000008680561 562961577 /nfs/dbraw/zinc/96/15/77/562961577.db2.gz WSZWPRMGVHHVON-UHFFFAOYSA-N 0 0 436.316 3.137 3 0 aggregator IGAFRN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000008690889 562963332 /nfs/dbraw/zinc/96/33/32/562963332.db2.gz WYHNJWWUOQMQFU-UHFFFAOYSA-N 0 0 436.533 3.372 3 0 IGAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc([C@H](C)O)cc2)cc1 ZINC000013473899 562988496 /nfs/dbraw/zinc/98/84/96/562988496.db2.gz ZTTCKFOYLDBWEE-JTSKRJEESA-N 0 0 427.545 3.121 1 0 IGAFRN COc1cc2ncnc(N3CCN(C(=O)Nc4cncc(Cl)c4)CC3)c2cc1OC ZINC000013491526 562990414 /nfs/dbraw/zinc/99/04/14/562990414.db2.gz XAIGUAJNCYCDBP-UHFFFAOYSA-N 0 0 428.880 3.050 1 0 IGAFRN COc1cccc2c3c(ccn(Cc4ccccc4OC)c3=O)n(CCN3CCOCC3)c21 ZINC000013519855 562991285 /nfs/dbraw/zinc/99/12/85/562991285.db2.gz YUASKJNKSPZTCR-UHFFFAOYSA-N 0 0 447.535 3.354 1 0 IGAFRN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCOCCO ZINC000013586223 562995224 /nfs/dbraw/zinc/99/52/24/562995224.db2.gz JAUKJPWPKMSRRZ-UHFFFAOYSA-N 0 0 430.505 3.440 1 0 IGAFRN Cc1nnc(CN2C(=O)[C@@H](NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)[nH]1 ZINC000013587931 562995795 /nfs/dbraw/zinc/99/57/95/562995795.db2.gz IUQPIQITRCMSQR-SFHVURJKSA-N 0 0 434.887 3.136 1 0 IGAFRN CCNC(=O)C[C@@H]1c2ccccc2C(=O)N(Cc2ccc(Br)cc2F)C1=O ZINC000013601424 562996817 /nfs/dbraw/zinc/99/68/17/562996817.db2.gz AZOZPLOXIUSJFU-MRXNPFEDSA-N 0 0 433.277 3.381 1 0 IGAFRN COc1cc(CNC(=S)NCCc2ccc(Cl)cc2)ccc1OCCNC(C)=O ZINC000013605013 562997116 /nfs/dbraw/zinc/99/71/16/562997116.db2.gz DOFFHEGWFRRGDD-UHFFFAOYSA-N 0 0 435.977 3.070 1 0 IGAFRN COc1cc(NCc2c(Br)sc3nc(N)nc(N)c32)cc(OC)c1OC ZINC000013606480 562997315 /nfs/dbraw/zinc/99/73/15/562997315.db2.gz VMSSMKPLAXEQHX-UHFFFAOYSA-N 0 0 440.323 3.256 1 0 IGAFRN C[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013634755 562998225 /nfs/dbraw/zinc/99/82/25/562998225.db2.gz MOBRIWPYBFXAMB-NLFFAJNJSA-N 0 0 436.552 3.306 3 0 IGAFRN CCOc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2OC[C@@H](O)[C@H]2O)c1 ZINC000013674243 563000268 /nfs/dbraw/zinc/00/02/68/563000268.db2.gz LJPZOGRFIVUFKR-ZILOHOTNSA-N 0 0 432.480 3.491 1 0 IGAFRN COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3[C@H]2c2ccccn2)CC1 ZINC000013776805 563005894 /nfs/dbraw/zinc/00/58/94/563005894.db2.gz ANWIIPBIJAWMDI-VWLOTQADSA-N 0 0 428.536 3.458 1 0 IGAFRN CCOC(=O)CCCn1ccc2cc(OC(=O)OCC)c(OC(=O)OCC)cc2c1=O ZINC000013800911 563007886 /nfs/dbraw/zinc/00/78/86/563007886.db2.gz BASWNBKSVYGKDM-UHFFFAOYSA-N 0 0 435.429 3.415 1 0 IGAFRN COc1ccc2c(ccc(OCC(F)(F)F)c2C(=O)N(C)CC(N)=O)c1C(F)(F)F ZINC000013823605 563010360 /nfs/dbraw/zinc/01/03/60/563010360.db2.gz GBOCAVCMSHFJPU-UHFFFAOYSA-N 0 0 438.324 3.366 1 0 IGAFRN COc1ccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)cc1F ZINC000013831775 563011240 /nfs/dbraw/zinc/01/12/40/563011240.db2.gz VRVGTPHHMPYMON-QFIPXVFZSA-N 0 0 436.439 3.487 3 0 IGAFRN Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 ZINC000013859893 563012451 /nfs/dbraw/zinc/01/24/51/563012451.db2.gz PFSYJJKLBNXBAA-NRFANRHFSA-N 0 0 442.581 3.409 1 0 IGAFRN CCOC(=O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)c2c(c1OC(C)C)CCCC2 ZINC000013861955 563012850 /nfs/dbraw/zinc/01/28/50/563012850.db2.gz OPUDRWIUDPULFE-HXUWFJFHSA-N 0 0 440.544 3.456 1 0 IGAFRN CC(=O)N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 ZINC000014637969 563014683 /nfs/dbraw/zinc/01/46/83/563014683.db2.gz UBQCFEASTTXIKB-JWQCQUIFSA-N 0 0 444.531 3.318 1 0 IGAFRN CSc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCO3)c(N3CCC(O)CC3)n2)cc1 ZINC000019145740 563022489 /nfs/dbraw/zinc/02/24/89/563022489.db2.gz RGBBSNVOUGFAFN-SFHVURJKSA-N 0 0 427.570 3.340 1 0 IGAFRN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)nc21 ZINC000021290154 563025336 /nfs/dbraw/zinc/02/53/36/563025336.db2.gz CSLJSOAIJCEXMF-UHFFFAOYSA-N 0 0 448.354 3.437 1 0 IGAFRN O=C1NCCN1CCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026375730 563031042 /nfs/dbraw/zinc/03/10/42/563031042.db2.gz MYVPKBWFYFYMBK-GGAORHGYSA-N 0 0 426.511 3.184 1 0 IGAFRN COc1cccc(CC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 ZINC000026375702 563031104 /nfs/dbraw/zinc/03/11/04/563031104.db2.gz OROBBIIDFVAOPI-XMMPIXPASA-N 0 0 431.467 3.333 1 0 IGAFRN CCOC(=O)[C@@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 ZINC000026848991 563037728 /nfs/dbraw/zinc/03/77/28/563037728.db2.gz WASPFBKLPKZFNP-CQSZACIVSA-N 0 0 446.447 3.311 1 0 IGAFRN CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N21 ZINC000026950125 563038177 /nfs/dbraw/zinc/03/81/77/563038177.db2.gz JGYXFAVLGHCXQK-LQWHRVPQSA-N 0 0 425.529 3.239 1 0 IGAFRN Cc1cc(Br)ccc1CN1[C@@]2(CC(=O)NC2=O)c2ccccc2S1(=O)=O ZINC000027524005 563042976 /nfs/dbraw/zinc/04/29/76/563042976.db2.gz IDNRSIWGGUVUAV-SFHVURJKSA-N 0 0 435.299 3.044 1 0 IGAFRN CC(C)([NH3+])[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)C1 ZINC000027857972 563047477 /nfs/dbraw/zinc/04/74/77/563047477.db2.gz OYWLSRULTYEDQR-LLVKDONJSA-N 0 0 446.429 3.065 1 0 IGAFRN COc1cc2c(c(OC)c1OC)OC[C@H]1[C@H](COC(C)=O)Cc3cc4c(cc3[C@@H]21)OCO4 ZINC000028219295 563051626 /nfs/dbraw/zinc/05/16/26/563051626.db2.gz YGEWGXUJQZHXEU-LFRPXUGBSA-N 0 0 442.464 3.317 1 0 IGAFRN C[C@H]1[C@@H]([NH3+])CN1c1c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3F)c2c1Cl ZINC000028224254 563051841 /nfs/dbraw/zinc/05/18/41/563051841.db2.gz MGBPVANPCHUGII-RTHLEPHNSA-N 0 0 437.805 3.295 1 0 IGAFRN C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2C[C@@H](O)C3)n1)c1ccccc1 ZINC000028367336 563053669 /nfs/dbraw/zinc/05/36/69/563053669.db2.gz NDYUNAFGVYGUBG-DNVCBOLYSA-N 0 0 431.471 3.461 1 0 IGAFRN CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)NCc1ccc(F)cc1 ZINC000028702159 563061487 /nfs/dbraw/zinc/06/14/87/563061487.db2.gz QANKXFNUEGXTLP-IBGZPJMESA-N 0 0 426.448 3.254 1 0 IGAFRN CC(C)C[C@H](O)NC(=O)C1(C(=O)N[C@H]2c3ccccc3-c3ccccc3N(C)C2=O)CCC1 ZINC000028822959 563065887 /nfs/dbraw/zinc/06/58/87/563065887.db2.gz YCIRGESZBXDDDZ-VXKWHMMOSA-N 0 0 449.551 3.138 1 0 IGAFRN CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccccc1 ZINC000028895021 563068737 /nfs/dbraw/zinc/06/87/37/563068737.db2.gz NRABXXLHOILLKP-IEBWSBKVSA-N 0 0 443.931 3.327 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cc(F)cc(F)c2)O1 ZINC000028974600 563071399 /nfs/dbraw/zinc/07/13/99/563071399.db2.gz GNFAFBVSLUZXIL-ONSXPEOJSA-N 0 0 425.332 3.032 1 0 IGAFRN CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)Nc1ccccn1)CC(C)C ZINC000029474951 563080816 /nfs/dbraw/zinc/08/08/16/563080816.db2.gz OORGRLDXMMAWSI-DYESRHJHSA-N 0 0 449.555 3.027 1 0 IGAFRN CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncnc2c1nnn2C ZINC000029477831 563080950 /nfs/dbraw/zinc/08/09/50/563080950.db2.gz KKSNCFMVYUFKBT-UHFFFAOYSA-N 0 0 440.515 3.412 1 0 IGAFRN C[C@@H](N1CNc2cc(Cl)ccc2C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029545927 563081640 /nfs/dbraw/zinc/08/16/40/563081640.db2.gz YNQWZACNRFIDSV-MPBGBICISA-N 0 0 433.846 3.011 1 0 IGAFRN CCCCn1cnc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@]2(O)CC ZINC000034324197 563086101 /nfs/dbraw/zinc/08/61/01/563086101.db2.gz ZPXZKFJWQGEQLD-VWLOTQADSA-N 0 0 444.491 3.229 1 0 IGAFRN Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2Cl)c(C)c1 ZINC000034816693 563087991 /nfs/dbraw/zinc/08/79/91/563087991.db2.gz PGDJWBLSICRVNH-UHFFFAOYSA-N 0 0 430.921 3.071 1 0 IGAFRN CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCC(F)F)c2)C1=O ZINC000035261808 563089762 /nfs/dbraw/zinc/08/97/62/563089762.db2.gz KIAGCWNNPCJGFV-LJQANCHMSA-N 0 0 429.345 3.311 1 0 IGAFRN C[N@@H+](C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2)CCO ZINC000036178080 563091603 /nfs/dbraw/zinc/09/16/03/563091603.db2.gz JCYHJGUWBFKOMS-RMKNXTFCSA-N 0 0 444.553 3.002 1 0 IGAFRN CCOC(=O)Cc1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Nc1ccccn1 ZINC000036348573 563092992 /nfs/dbraw/zinc/09/29/92/563092992.db2.gz YHROPQPNDJZFTP-UHFFFAOYSA-N 0 0 439.472 3.490 1 0 IGAFRN COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)Nc4nccs4)[C@H]3C2=O)cc1OC ZINC000036382881 563094109 /nfs/dbraw/zinc/09/41/09/563094109.db2.gz ICRNFWIKGHQORV-MDZRGWNJSA-N 0 0 427.526 3.340 1 0 IGAFRN C[C@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000036388107 563094749 /nfs/dbraw/zinc/09/47/49/563094749.db2.gz DNPUXVLTCAUWNA-INIZCTEOSA-N 0 0 443.548 3.326 3 0 IGAFRN CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000039107741 563098786 /nfs/dbraw/zinc/09/87/86/563098786.db2.gz LTQNKWCULFPBEF-IBGZPJMESA-N 0 0 435.889 3.162 1 0 IGAFRN Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CNC3=O)CC2)nc1 ZINC000040395080 563100626 /nfs/dbraw/zinc/10/06/26/563100626.db2.gz BHUJWKLXOJFZOZ-UHFFFAOYSA-N 0 0 433.537 3.361 1 0 IGAFRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000040401221 563100867 /nfs/dbraw/zinc/10/08/67/563100867.db2.gz KJRWEYVIPROILC-UHFFFAOYSA-N 0 0 430.452 3.302 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3cnc4ccccc4c3)C(=O)O2)cc1 ZINC000040407035 563101437 /nfs/dbraw/zinc/10/14/37/563101437.db2.gz DEQHLCSNLCBPHA-OMWANQMDSA-N 0 0 432.476 3.219 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3cnc4ccccc4c3)C(=O)O2)cc1 ZINC000040407038 563101478 /nfs/dbraw/zinc/10/14/78/563101478.db2.gz DEQHLCSNLCBPHA-NIAMQAJOSA-N 0 0 432.476 3.219 1 0 IGAFRN C[C@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)nn1C ZINC000040422079 563102446 /nfs/dbraw/zinc/10/24/46/563102446.db2.gz WGQZAXVWQHFYON-LBPRGKRZSA-N 0 0 430.452 3.254 1 0 IGAFRN CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccc2c(c1)OCO2 ZINC000040873189 563109107 /nfs/dbraw/zinc/10/91/07/563109107.db2.gz SGMXIIBNLPOUAX-PMACEKPBSA-N 0 0 449.532 3.367 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3cnc4ccccc4c3)C(=O)O2)cc1 ZINC000040895565 563110380 /nfs/dbraw/zinc/11/03/80/563110380.db2.gz DEQHLCSNLCBPHA-QSOCIONNSA-N 0 0 432.476 3.219 1 0 IGAFRN COC(=O)[C@@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)OC(C)(C)C)C(C)C ZINC000040916469 563111405 /nfs/dbraw/zinc/11/14/05/563111405.db2.gz UTWIXABRNLDNEN-OALUTQOASA-N 0 0 429.517 3.144 1 0 IGAFRN CC(=O)N(C)c1cccc(Nc2nc(NCCc3cccs3)ncc2-c2nn[nH]n2)c1 ZINC000040918841 563111943 /nfs/dbraw/zinc/11/19/43/563111943.db2.gz GZIRZWYLRVDXGD-UHFFFAOYSA-N 0 0 435.517 3.099 1 0 IGAFRN C[C@@]1(C(=O)Nc2cccnc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 ZINC000045286627 563128374 /nfs/dbraw/zinc/12/83/74/563128374.db2.gz RGGGQYILVSQJDN-QHCPKHFHSA-N 0 0 443.515 3.466 1 0 IGAFRN NC(=O)c1c(N)c(C(=O)c2c(F)cccc2F)[nH]c1-c1ccc(Oc2ncccn2)cc1 ZINC000045336899 563131593 /nfs/dbraw/zinc/13/15/93/563131593.db2.gz VXGVREQSKUBURM-UHFFFAOYSA-N 0 0 435.390 3.454 1 0 IGAFRN CC(=O)OCCN1C(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C1=O)OCO4 ZINC000045373042 563133530 /nfs/dbraw/zinc/13/35/30/563133530.db2.gz XRGFYJYDRRMNGW-UHFFFAOYSA-N 0 0 447.399 3.123 1 0 IGAFRN CC(C)(C)CCNC(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049055680 563137169 /nfs/dbraw/zinc/13/71/69/563137169.db2.gz KZRZZKLRPGMCGD-SFHVURJKSA-N 0 0 430.520 3.090 1 0 IGAFRN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000049112204 563138339 /nfs/dbraw/zinc/13/83/39/563138339.db2.gz WHBIVIJHDUCCJP-UHFFFAOYSA-N 0 0 429.420 3.370 1 0 IGAFRN O=C(NCCNC(=O)c1ccc(Cl)cn1)c1cn(-c2ccccc2)nc1C(F)(F)F ZINC000049114624 563138622 /nfs/dbraw/zinc/13/86/22/563138622.db2.gz KDQAPKJRHLBWJB-UHFFFAOYSA-N 0 0 437.809 3.099 1 0 IGAFRN CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)[C@H]2c1ccc(Cl)cc1)C(=O)OC ZINC000058506603 563143773 /nfs/dbraw/zinc/14/37/73/563143773.db2.gz WZWCQAIOXPCSJI-WBAXXEDZSA-N 0 0 435.952 3.233 1 0 IGAFRN CCN(CC(=O)NCCF)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059049774 563146074 /nfs/dbraw/zinc/14/60/74/563146074.db2.gz QUGRABBFVLHPJH-GOSISDBHSA-N 0 0 443.563 3.258 1 0 IGAFRN COc1ccc(CNC(=O)c2sc(=O)n(Cc3cc(C(C)=O)ccc3OC)c2C)cc1 ZINC000061896199 563147353 /nfs/dbraw/zinc/14/73/53/563147353.db2.gz RUOBJPQZFRDHHW-UHFFFAOYSA-N 0 0 440.521 3.416 3 0 IGAFRN C[C@@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1Cc1ccccc1OC(F)F ZINC000061897275 563147516 /nfs/dbraw/zinc/14/75/16/563147516.db2.gz YUPJZKMMVSJLCV-FQEVSTJZSA-N 0 0 439.484 3.263 3 0 IGAFRN C[C@@]12C(=O)N(C[C@@H]3CCCO3)CC(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061931364 563150793 /nfs/dbraw/zinc/15/07/93/563150793.db2.gz HZRVIHWEIRSQNK-SEHYTIIPSA-N 0 0 432.520 3.142 3 0 IGAFRN O=S(=O)(c1ccccc1Br)N(C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000061943368 563150933 /nfs/dbraw/zinc/15/09/33/563150933.db2.gz QZLWCXIREQODSK-QGZVFWFLSA-N 0 0 440.359 3.180 3 0 IGAFRN C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3nc[nH]c32)C1 ZINC000066099688 563158117 /nfs/dbraw/zinc/15/81/17/563158117.db2.gz OTPQDXLFXQGSHS-MRXNPFEDSA-N 0 0 448.531 3.058 1 0 IGAFRN Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3nccc4ccccc43)OC[C@H]2C)c1 ZINC000068205471 563161221 /nfs/dbraw/zinc/16/12/21/563161221.db2.gz HIYMXVSQZFCQBY-UYAOXDASSA-N 0 0 443.507 3.432 1 0 IGAFRN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 ZINC000071296699 563161806 /nfs/dbraw/zinc/16/18/06/563161806.db2.gz TXXYVBLFLGPQOR-GDBMZVCRSA-N 0 0 442.527 3.428 1 0 IGAFRN CC(=O)N1CCc2ccc(C(=O)CCCN3CCN(Cc4ccccc4)CC3)cc2CC1 ZINC000073196004 563169901 /nfs/dbraw/zinc/16/99/01/563169901.db2.gz VQTCAOXIAPFHHQ-UHFFFAOYSA-N 0 0 433.596 3.414 1 0 IGAFRN CC(C)(C)c1nc2cc(S(=O)(=O)CC3CC3)ccc2n1CC1CCS(=O)(=O)CC1 ZINC000082155967 563173640 /nfs/dbraw/zinc/17/36/40/563173640.db2.gz WYOQPSLZYOPQBI-UHFFFAOYSA-N 0 0 438.615 3.342 1 0 IGAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000095569424 563184100 /nfs/dbraw/zinc/18/41/00/563184100.db2.gz SWZDMDKPESMVOT-IBGZPJMESA-N 0 0 449.912 3.362 3 0 IGAFRN O=C1C(=O)N(Cc2cnnn2CCNc2ccnc3cc(Cl)ccc32)c2ccccc21 ZINC000095586789 563189259 /nfs/dbraw/zinc/18/92/59/563189259.db2.gz DUVZHZAWDWLPDM-UHFFFAOYSA-N 0 0 432.871 3.321 1 0 IGAFRN Cc1ncc(CCn2cc(-c3cccnc3)nc2Cn2c3cnccc3n(C3CC3)c2=O)o1 ZINC000095592627 563190549 /nfs/dbraw/zinc/19/05/49/563190549.db2.gz ZOEIADDXVOXXTG-UHFFFAOYSA-N 0 0 441.495 3.379 1 0 IGAFRN O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095603123 563193362 /nfs/dbraw/zinc/19/33/62/563193362.db2.gz RXKHTODQLXZGSD-NSISKUIASA-N 0 0 449.910 3.216 1 0 IGAFRN O=C(NCc1ccccc1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000095604904 563193811 /nfs/dbraw/zinc/19/38/11/563193811.db2.gz XVYYRBYRUNAZSG-XMMPIXPASA-N 0 0 430.460 3.194 3 0 IGAFRN C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-c1ncccn1 ZINC000096175594 563196260 /nfs/dbraw/zinc/19/62/60/563196260.db2.gz NSZSJQFDRRSYLH-SJLPKXTDSA-N 0 0 436.487 3.490 1 0 IGAFRN CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(c2ccc(F)cc2)C(=O)N1c1ccco1 ZINC000098081931 563200489 /nfs/dbraw/zinc/20/04/89/563200489.db2.gz HMODFAGXJHIOSN-LWUBGYQZSA-N 0 0 446.431 3.042 1 0 IGAFRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@@H](C)C2 ZINC000014616104 571715760 /nfs/dbraw/zinc/71/57/60/571715760.db2.gz BPZZWRPHVVDAPT-YVEFUNNKSA-N 0 0 431.872 3.051 2 0 endogenous,in-man IGAFRN COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O ZINC000014437750 291357551 /nfs/dbraw/zinc/35/75/51/291357551.db2.gz RSRURHUUEQLLQS-HZPDHXFCSA-N 0 0 432.469 3.010 1 0 biogenic,in-vitro IGAFRN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1 ZINC000020480044 518345380 /nfs/dbraw/zinc/34/53/80/518345380.db2.gz SBHPYWUIZUXOQZ-XRXFAXGQSA-N 0 0 436.895 3.378 1 0 IGAFRN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1c[nH]c2ccccc21 ZINC000002499061 562928279 /nfs/dbraw/zinc/92/82/79/562928279.db2.gz AWZGLWAKAAKKLY-RPWUZVMVSA-N 0 0 444.535 3.207 3 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1cccc2Br ZINC000003591464 562936666 /nfs/dbraw/zinc/93/66/66/562936666.db2.gz XYDVUUJYNPKXGQ-UHFFFAOYSA-N 0 0 440.297 3.098 1 0 IGAFRN CNC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005722200 562944546 /nfs/dbraw/zinc/94/45/46/562944546.db2.gz IGLFPEGNMYCAPK-FQEVSTJZSA-N 0 0 427.501 3.124 1 0 IGAFRN CNC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005722202 562944549 /nfs/dbraw/zinc/94/45/49/562944549.db2.gz KKJNBVBJIRNSET-FQEVSTJZSA-N 0 0 427.501 3.124 1 0 IGAFRN COC(=O)C[C@@H]([C@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000005835642 562945003 /nfs/dbraw/zinc/94/50/03/562945003.db2.gz GFQPDPJYPJHRKN-VWPQPMDRSA-N 0 0 439.464 3.060 1 0 IGAFRN FC(F)(F)c1ccc2c(c1)nnn2C1CCN(Cc2nnnn2Cc2ccccc2)CC1 ZINC000006551688 562947274 /nfs/dbraw/zinc/94/72/74/562947274.db2.gz ULFCKZVHNLJQOA-UHFFFAOYSA-N 0 0 442.449 3.322 3 0 IGAFRN CCn1c2ccccc2c2sc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2c1=O ZINC000006577570 562947718 /nfs/dbraw/zinc/94/77/18/562947718.db2.gz QVFIQCMJHSDWKI-UHFFFAOYSA-N 0 0 435.505 3.427 3 0 IGAFRN CC(C)CCNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1 ZINC000006745807 562948313 /nfs/dbraw/zinc/94/83/13/562948313.db2.gz DZPFDWOHVKGPOK-UHFFFAOYSA-N 0 0 449.477 3.234 1 0 IGAFRN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)ccc21 ZINC000008595305 562953372 /nfs/dbraw/zinc/95/33/72/562953372.db2.gz IOTMHILONJOUSD-UHFFFAOYSA-N 0 0 434.945 3.119 1 0 IGAFRN COc1cc(OC)c(N(C)C(=O)Cn2ncc3c2c2ccccc2oc3=O)cc1Cl ZINC000008595806 562953693 /nfs/dbraw/zinc/95/36/93/562953693.db2.gz AHRVHNYCWOIIOG-UHFFFAOYSA-N 0 0 427.844 3.476 1 0 IGAFRN CCOC(=O)CN(C(=O)CSc1nnc2c3cc(F)ccc3[nH]c2n1)c1ccccc1 ZINC000008672526 562961091 /nfs/dbraw/zinc/96/10/91/562961091.db2.gz VDMCMEJFOGTQOL-UHFFFAOYSA-N 0 0 439.472 3.285 1 0 IGAFRN CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1 ZINC000008828545 562964548 /nfs/dbraw/zinc/96/45/48/562964548.db2.gz PQRNBESGVYPMHS-YFHOEESVSA-N 0 0 447.557 3.089 3 0 IGAFRN O=C(c1nc2ccc(Cl)cn2c1CN1CCC(CO)CC1)N1CCc2ccccc2C1 ZINC000011819708 562979373 /nfs/dbraw/zinc/97/93/73/562979373.db2.gz RFHZZQSHQBHYPM-UHFFFAOYSA-N 0 0 438.959 3.391 3 0 IGAFRN Cc1ccc(CC(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)CC2)cc1 ZINC000012467642 562982208 /nfs/dbraw/zinc/98/22/08/562982208.db2.gz BWBPECUOWNZSOD-UHFFFAOYSA-N 0 0 442.523 3.232 1 0 IGAFRN COc1ccc(N(C(=O)[C@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086263 562984330 /nfs/dbraw/zinc/98/43/30/562984330.db2.gz DOERKPMWBFUAPN-OXQOHEQNSA-N 0 0 441.553 3.359 3 0 IGAFRN CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2ccc3c(c2)OCO3)[C@H]1CCCO ZINC000013118618 562984580 /nfs/dbraw/zinc/98/45/80/562984580.db2.gz UIKKXOQTYWGZBS-UMEGOILYSA-N 0 0 439.508 3.481 3 0 IGAFRN CCn1cc2c(n1)nc(NC(=O)Nc1ccc3c(c1)OCO3)n1nc(-c3ccco3)nc21 ZINC000013472336 562987977 /nfs/dbraw/zinc/98/79/77/562987977.db2.gz FVFSYIHQKDNCSO-UHFFFAOYSA-N 0 0 432.400 3.127 1 0 IGAFRN CC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1 ZINC000013488666 562989774 /nfs/dbraw/zinc/98/97/74/562989774.db2.gz JEPOEPAUWSAKQH-FIXSFTCYSA-N 0 0 430.589 3.165 1 0 IGAFRN COc1cc2ncnc(N3CCN(C(=S)N[C@H](C)c4ccccc4)CC3)c2cc1OC ZINC000013491521 562990450 /nfs/dbraw/zinc/99/04/50/562990450.db2.gz JJICUGUAKGHFQB-MRXNPFEDSA-N 0 0 437.569 3.405 1 0 IGAFRN Cc1ccc(-n2nc(C(=O)CCCO[N+](=O)[O-])cc2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013560531 562994245 /nfs/dbraw/zinc/99/42/45/562994245.db2.gz NFKWGZDQOIKJPW-UHFFFAOYSA-N 0 0 443.481 3.422 1 0 IGAFRN COc1ccc(C(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1OC ZINC000013601608 562996824 /nfs/dbraw/zinc/99/68/24/562996824.db2.gz RVWRHQOISOPOAU-QFIPXVFZSA-N 0 0 433.439 3.389 1 0 IGAFRN COc1ccc(CN2CCN(Cc3ccc(OC)c(OC)c3)C(=S)NC2=O)cc1OC ZINC000013652011 562999283 /nfs/dbraw/zinc/99/92/83/562999283.db2.gz OELDXMGNVUAFEZ-UHFFFAOYSA-N 0 0 445.541 3.033 1 0 IGAFRN CCCc1nc(C)n2c(nn(C)c2=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013737983 563002663 /nfs/dbraw/zinc/00/26/63/563002663.db2.gz CJCGCOGXWYIGGD-UHFFFAOYSA-N 0 0 440.511 3.127 1 0 IGAFRN CCCCn1c2ncn(S(=O)(=O)c3c(C)cc(C)cc3C)c2c(=O)n(CCCC)c1=O ZINC000013806666 563008520 /nfs/dbraw/zinc/00/85/20/563008520.db2.gz IIYMHHZVTORHCY-UHFFFAOYSA-N 0 0 446.573 3.122 1 0 IGAFRN CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 ZINC000014954090 563015742 /nfs/dbraw/zinc/01/57/42/563015742.db2.gz LVLMWYNJGBBWEX-UHFFFAOYSA-N 0 0 425.496 3.461 1 0 IGAFRN COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019084845 563022365 /nfs/dbraw/zinc/02/23/65/563022365.db2.gz PMBSCFVSSGAIJL-QFIPXVFZSA-N 0 0 444.539 3.426 3 0 IGAFRN CC(=O)OCCCN1c2ccc(Cl)cc2C(c2ccccc2)=N[C@@H](OC(C)=O)C1=O ZINC000026152061 563029062 /nfs/dbraw/zinc/02/90/62/563029062.db2.gz KQIHMBHBEXNKDC-NRFANRHFSA-N 0 0 428.872 3.366 1 0 IGAFRN COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CC(F)(F)F)C2=O)OCO4 ZINC000026494656 563032576 /nfs/dbraw/zinc/03/25/76/563032576.db2.gz CKXPABIUPFSXKE-QZTJIDSGSA-N 0 0 435.354 3.472 1 0 IGAFRN CSCC[C@@H](NC(=O)[C@H](CSC(C)=O)Cc1ccccc1)C(=O)N1CCCCC1 ZINC000026500248 563032717 /nfs/dbraw/zinc/03/27/17/563032717.db2.gz MZXPIHCOIAXPOG-VQTJNVASSA-N 0 0 436.643 3.375 1 0 IGAFRN CC(C)[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N12 ZINC000026950133 563038162 /nfs/dbraw/zinc/03/81/62/563038162.db2.gz JGYXFAVLGHCXQK-LVCYWYKZSA-N 0 0 425.529 3.239 1 0 IGAFRN Cc1c(N2CC[C@](C[NH3+])(C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000027422543 563042145 /nfs/dbraw/zinc/04/21/45/563042145.db2.gz DUJZHWAIAPRENU-LJQANCHMSA-N 0 0 427.398 3.040 1 0 IGAFRN CC[NH2+]C[C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OCC)C1 ZINC000027519519 563042672 /nfs/dbraw/zinc/04/26/72/563042672.db2.gz IMLLLOYBXZAGOC-AWEZNQCLSA-N 0 0 431.508 3.398 1 0 IGAFRN Cc1cc(CN2[C@@]3(CC(=O)NC3=O)c3ccccc3S2(=O)=O)ccc1Br ZINC000027524135 563043035 /nfs/dbraw/zinc/04/30/35/563043035.db2.gz HDNTXMJEJVAPRF-SFHVURJKSA-N 0 0 435.299 3.044 1 0 IGAFRN COc1c(N2CC[C@](C)([NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3F)c21 ZINC000027524805 563043195 /nfs/dbraw/zinc/04/31/95/563043195.db2.gz GCPDXVLVYDEARA-QFIPXVFZSA-N 0 0 447.413 3.042 1 0 IGAFRN CCCCOP(=O)(OCCCC)OCN1C(=O)[C@@H](CC(C)C)N(C)S1(=O)=O ZINC000027626416 563044676 /nfs/dbraw/zinc/04/46/76/563044676.db2.gz YGEZXRHMFGPHCD-OAHLLOKOSA-N 0 0 428.488 3.136 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2F)CCO1 ZINC000027657667 563045342 /nfs/dbraw/zinc/04/53/42/563045342.db2.gz MMKGBABWESAOLC-OAHLLOKOSA-N 0 0 439.890 3.230 1 0 IGAFRN NC(=[NH2+])c1ccc2c(c1)c(CC(=O)[O-])cn2CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000028011747 563049692 /nfs/dbraw/zinc/04/96/92/563049692.db2.gz FSAOWFOCNKFJSR-UHFFFAOYSA-N 0 0 432.524 3.034 1 0 IGAFRN CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O ZINC000028123244 563051142 /nfs/dbraw/zinc/05/11/42/563051142.db2.gz UPFVFWZGNRKYFG-SBYYZILYSA-N 0 0 446.496 3.390 1 0 IGAFRN CCC(=O)N1CCn2cc(C3=C(c4cncc5ccoc54)C(=O)NC3=O)c3cccc(c32)C1 ZINC000028133045 563051472 /nfs/dbraw/zinc/05/14/72/563051472.db2.gz VVOFXGOUMCCSEE-UHFFFAOYSA-N 0 0 440.459 3.102 1 0 IGAFRN COC(=S)NC[C@H]1CN(c2ccc(Oc3ccc(NC(C)=O)cc3)c(F)c2)C(=O)O1 ZINC000028375334 563053946 /nfs/dbraw/zinc/05/39/46/563053946.db2.gz APZRFPFARXPIAE-INIZCTEOSA-N 0 0 433.461 3.423 1 0 IGAFRN Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028377294 563053978 /nfs/dbraw/zinc/05/39/78/563053978.db2.gz JFCRWCHHUGAJGI-UHFFFAOYSA-N 0 0 447.543 3.434 1 0 IGAFRN CCn1nnc(-c2ccc(OCC[C@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)n1 ZINC000028474897 563055659 /nfs/dbraw/zinc/05/56/59/563055659.db2.gz QHRKYRPAFCRBPM-GOSISDBHSA-N 0 0 435.532 3.492 1 0 IGAFRN CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc(-c4ccccc4)c[nH]3)sc2c1 ZINC000028710423 563062451 /nfs/dbraw/zinc/06/24/51/563062451.db2.gz KLRFOLXMDIPPKI-UHFFFAOYSA-N 0 0 427.511 3.412 1 0 IGAFRN O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1cnc(Cl)s1 ZINC000028822853 563065792 /nfs/dbraw/zinc/06/57/92/563065792.db2.gz XMXYYVQRZVXLBE-JKSUJKDBSA-N 0 0 442.928 3.028 1 0 IGAFRN COc1ccc2c(c1)c(CC(=O)NOCCCO)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028862892 563066956 /nfs/dbraw/zinc/06/69/56/563066956.db2.gz IKHHVQRHKWOTPI-UHFFFAOYSA-N 0 0 430.888 3.273 1 0 IGAFRN O=C1NCCCC[C@H]1N(Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957737 563070530 /nfs/dbraw/zinc/07/05/30/563070530.db2.gz IBVIPCHEAYMOIU-GOSISDBHSA-N 0 0 428.888 3.478 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccc(F)cc2F)O1 ZINC000028974525 563071356 /nfs/dbraw/zinc/07/13/56/563071356.db2.gz VOCYHUBFCKNORO-IZPCHGGPSA-N 0 0 425.332 3.032 1 0 IGAFRN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000029125428 563074262 /nfs/dbraw/zinc/07/42/62/563074262.db2.gz VNLGDOUPVSLZFS-GOSISDBHSA-N 0 0 439.865 3.479 1 0 IGAFRN Cc1csc2c1ncnc2N[C@@H](C)CN1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000029126987 563074806 /nfs/dbraw/zinc/07/48/06/563074806.db2.gz QHZZKPZSTGOWRD-KRWDZBQOSA-N 0 0 445.614 3.115 1 0 IGAFRN CCOc1cc(N(C)C)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000029210613 563076645 /nfs/dbraw/zinc/07/66/45/563076645.db2.gz CRZLISBEGWWGET-GOSISDBHSA-N 0 0 431.964 3.436 1 0 IGAFRN CNC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000029223959 563076811 /nfs/dbraw/zinc/07/68/11/563076811.db2.gz ZTNJOBDPFNTJGQ-OAHLLOKOSA-N 0 0 430.526 3.378 1 0 IGAFRN CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)C2CC2)s1 ZINC000029246533 563077221 /nfs/dbraw/zinc/07/72/21/563077221.db2.gz XUBZZUYYDOTEOD-FCQUAONHSA-N 0 0 431.525 3.240 1 0 IGAFRN CCN(CC)c1nc(NC[C@@H](O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc21 ZINC000029415605 563080047 /nfs/dbraw/zinc/08/00/47/563080047.db2.gz JVYYQAOKYQRJCG-GOSISDBHSA-N 0 0 428.489 3.050 1 0 IGAFRN Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C ZINC000032303493 563084225 /nfs/dbraw/zinc/08/42/25/563084225.db2.gz GMSVFFLMMJRKCT-UHFFFAOYSA-N 0 0 448.567 3.189 3 0 IGAFRN COc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1OC ZINC000036351825 563093353 /nfs/dbraw/zinc/09/33/53/563093353.db2.gz SNBNOMAXISJOPC-UHFFFAOYSA-N 0 0 440.471 3.344 1 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(F)ccc3NC(=O)[C@@]12C ZINC000036387232 563094637 /nfs/dbraw/zinc/09/46/37/563094637.db2.gz ZXUDJGODGFVDSS-AYFLJRIOSA-N 0 0 438.455 3.230 3 0 IGAFRN COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@@H]3COC[C@H]32)cc(OC)c1OC ZINC000038561996 563098068 /nfs/dbraw/zinc/09/80/68/563098068.db2.gz UDMGAFIGOTWFTR-SPYBWZPUSA-N 0 0 444.480 3.329 1 0 IGAFRN CCN(Cc1ccccc1)C(=O)Cn1c2nc(-c3ccccc3)ncc2n(CCF)c1=O ZINC000040405819 563101231 /nfs/dbraw/zinc/10/12/31/563101231.db2.gz DCRSPOGUAKBGJJ-UHFFFAOYSA-N 0 0 433.487 3.278 1 0 IGAFRN CCOc1ccc(Cc2ccc(C(=O)N/C=C\CCCC(=O)NCC(=O)OC)cc2)cc1 ZINC000040421763 563102342 /nfs/dbraw/zinc/10/23/42/563102342.db2.gz BOXIGCBYNBYZMM-SOFYXZRVSA-N 0 0 438.524 3.379 1 0 IGAFRN CO[C@@H]1CCCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)C1 ZINC000040567224 563105048 /nfs/dbraw/zinc/10/50/48/563105048.db2.gz OEEUMPNQAQQLCE-OAQYLSRUSA-N 0 0 433.508 3.452 1 0 IGAFRN COc1ccc([C@H]2[C@H]3CCc4ccc(OCCN5CCOCC5)cc4C3=NN2C(C)=O)cc1 ZINC000040753775 563106234 /nfs/dbraw/zinc/10/62/34/563106234.db2.gz XEVWZDRTXPRECQ-OZXSUGGESA-N 0 0 449.551 3.276 1 0 IGAFRN O=C(Nc1cccc(OCCCN2CCOCC2)c1)[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000040862507 563108335 /nfs/dbraw/zinc/10/83/35/563108335.db2.gz CQJKTTABBXYZAT-SBTPEUDISA-N 0 0 428.573 3.304 1 0 IGAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)(c2ccccn2)CC1 ZINC000040872542 563109024 /nfs/dbraw/zinc/10/90/24/563109024.db2.gz QFCKQRBEJXCAIS-UHFFFAOYSA-N 0 0 435.977 3.238 1 0 IGAFRN N=C1SC(=Cc2c[nH]nc2-c2ccc(N3CCOCC3)cc2)C(=O)N1c1nccs1 ZINC000040917864 563111653 /nfs/dbraw/zinc/11/16/53/563111653.db2.gz RATMVNPIJSMPMI-SKCGTWTRSA-N 0 0 438.538 3.425 1 0 IGAFRN CCCCCCNC(=O)N1CCN(c2ccc([C@H]3CC(C(=O)OCC)=NO3)cc2)CC1 ZINC000040918141 563111804 /nfs/dbraw/zinc/11/18/04/563111804.db2.gz DTWPXGRRKNOTEO-OAQYLSRUSA-N 0 0 430.549 3.479 1 0 IGAFRN O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc4ccccc4c3)CO[C@@H]21 ZINC000040956805 563114731 /nfs/dbraw/zinc/11/47/31/563114731.db2.gz ZKKWDQNOQFTGCW-KAOXLYBCSA-N 0 0 433.460 3.458 1 0 IGAFRN CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)ccc3N3CCOCC3)CC2)c(F)c1 ZINC000040973550 563115052 /nfs/dbraw/zinc/11/50/52/563115052.db2.gz WOSATHWKIQUKKX-UHFFFAOYSA-N 0 0 425.504 3.136 1 0 IGAFRN NC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2C1(c2ccccc2)CC1 ZINC000043018347 563116993 /nfs/dbraw/zinc/11/69/93/563116993.db2.gz CXPSJOTWGOTXOU-UHFFFAOYSA-N 0 0 447.520 3.064 1 0 IGAFRN CC(=O)OC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000043070656 563118060 /nfs/dbraw/zinc/11/80/60/563118060.db2.gz DDNABHAQYYBVSZ-YADHBBJMSA-N 0 0 440.540 3.413 1 0 IGAFRN COc1cccc(COC[C@H](O)CN(CCc2ccccn2)C(=O)c2ccccc2F)c1 ZINC000045189133 563123192 /nfs/dbraw/zinc/12/31/92/563123192.db2.gz GYCALUMSSHGFLH-OAQYLSRUSA-N 0 0 438.499 3.492 1 0 IGAFRN CCn1c(SC)nnc1[C@H]1CCCN(CC(=O)Nc2nc3ccc(OC)cc3s2)C1 ZINC000045191479 563123717 /nfs/dbraw/zinc/12/37/17/563123717.db2.gz JJJVMNJXTIFMOR-ZDUSSCGKSA-N 0 0 446.602 3.456 1 0 IGAFRN CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C ZINC000045210201 563125287 /nfs/dbraw/zinc/12/52/87/563125287.db2.gz AKHLCKMEVWGDGL-UHFFFAOYSA-N 0 0 425.514 3.176 1 0 IGAFRN C[C@H]1Cn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)[O-])C4=O)cc2C[NH2+]1 ZINC000045257022 563127395 /nfs/dbraw/zinc/12/73/95/563127395.db2.gz FGXDJMUYYHVSTF-GTNSWQLSSA-N 0 0 431.439 3.114 1 0 IGAFRN COc1cccc(CNC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 ZINC000045324904 563130989 /nfs/dbraw/zinc/13/09/89/563130989.db2.gz BZNPGRGVZQQYTM-LJQANCHMSA-N 0 0 436.491 3.446 1 0 IGAFRN O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)nn1 ZINC000045337448 563131595 /nfs/dbraw/zinc/13/15/95/563131595.db2.gz IDPZZOYWDBJFMQ-QFIPXVFZSA-N 0 0 430.508 3.039 1 0 IGAFRN O=C(NCCc1c[nH]c2ccc(O)cc12)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000049051354 563136964 /nfs/dbraw/zinc/13/69/64/563136964.db2.gz SWLPZDSHBZDWFT-UHFFFAOYSA-N 0 0 429.524 3.492 1 0 IGAFRN COC(=O)n1[nH]c(=O)c(-c2ccc(OC)c(OC)c2)c1-c1cc(OC)c(OC)cc1OC ZINC000049113308 563138588 /nfs/dbraw/zinc/13/85/88/563138588.db2.gz COCDDZYQNWYSEY-UHFFFAOYSA-N 0 0 444.440 3.168 1 0 IGAFRN CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059051412 563146194 /nfs/dbraw/zinc/14/61/94/563146194.db2.gz LYYAOAAEQUTERQ-GOSISDBHSA-N 0 0 425.573 3.308 1 0 IGAFRN O=C(Nc1nc2ccccc2s1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061895525 563147078 /nfs/dbraw/zinc/14/70/78/563147078.db2.gz HSGQMUOOCQXEBF-RRFJBIMHSA-N 0 0 427.507 3.342 3 0 IGAFRN CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2Cc3c(nccc3-c3cccc(F)c3)O2)c1 ZINC000061926178 563149897 /nfs/dbraw/zinc/14/98/97/563149897.db2.gz ALBSGVOHARNNSV-IBGZPJMESA-N 0 0 427.457 3.201 3 0 IGAFRN COc1cc(NC(=O)Cn2cnc3c2ncnc3NCc2ccccc2)cc(OC)c1OC ZINC000061945248 563151184 /nfs/dbraw/zinc/15/11/84/563151184.db2.gz GWIRBQFWSQRELJ-UHFFFAOYSA-N 0 0 448.483 3.103 3 0 IGAFRN CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000061958686 563151842 /nfs/dbraw/zinc/15/18/42/563151842.db2.gz LPDBRQHOFDNNIO-UHFFFAOYSA-N 0 0 433.896 3.008 3 0 IGAFRN CCCN1[C@@H](C)C(C(=O)OCC)=CN(Cc2ccc(Br)cc2)S1(=O)=O ZINC000061958960 563151994 /nfs/dbraw/zinc/15/19/94/563151994.db2.gz ZYGJJCRATLBPQQ-ZDUSSCGKSA-N 0 0 431.352 3.057 3 0 IGAFRN C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 ZINC000064502326 563153836 /nfs/dbraw/zinc/15/38/36/563153836.db2.gz GAMJJHMLLXIWRZ-GXTWGEPZSA-N 0 0 438.536 3.066 1 0 in-vitro IGAFRN O=C(NCCc1ccccc1)NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000064553137 563155778 /nfs/dbraw/zinc/15/57/78/563155778.db2.gz LNQMZJWIJKNPHF-DEOSSOPVSA-N 0 0 428.536 3.357 1 0 IGAFRN Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000064564931 563156407 /nfs/dbraw/zinc/15/64/07/563156407.db2.gz JZOYKVZUFZCAPO-UHFFFAOYSA-N 0 0 437.568 3.071 1 0 IGAFRN COc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCC[C@H](c3nn[nH]n3)C2)n1 ZINC000066101183 563158251 /nfs/dbraw/zinc/15/82/51/563158251.db2.gz WIPUKXPYAIVMNH-ZDUSSCGKSA-N 0 0 449.346 3.344 1 0 IGAFRN COc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCC[C@@H](c3nn[nH]n3)C2)n1 ZINC000066101186 563158259 /nfs/dbraw/zinc/15/82/59/563158259.db2.gz WIPUKXPYAIVMNH-CYBMUJFWSA-N 0 0 449.346 3.344 1 0 IGAFRN COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1N(C)C ZINC000066101631 563158393 /nfs/dbraw/zinc/15/83/93/563158393.db2.gz JSAFTXURJJRXTD-UHFFFAOYSA-N 0 0 431.441 3.275 1 0 IGAFRN Cc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)o1 ZINC000072118261 563163732 /nfs/dbraw/zinc/16/37/32/563163732.db2.gz QMFPZFZAQHQIPX-FQEVSTJZSA-N 0 0 442.475 3.385 1 0 IGAFRN CC(=O)Nc1sc2c(c1CC1N=NC(=S)N1NC(=O)c1ccccc1)CCCC2 ZINC000072174844 563165267 /nfs/dbraw/zinc/16/52/67/563165267.db2.gz SLNZFODXXSIZAB-UHFFFAOYSA-N 0 0 427.555 3.440 1 0 IGAFRN COc1ccccc1N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000072176536 563165669 /nfs/dbraw/zinc/16/56/69/563165669.db2.gz QVZCWZWXMOQHKL-HXUWFJFHSA-N 0 0 447.576 3.200 1 0 IGAFRN O=C(CSc1nnc(-c2ccc(NC(=S)NCCO)cc2)o1)c1ccc(F)cc1 ZINC000073161397 563169532 /nfs/dbraw/zinc/16/95/32/563169532.db2.gz HWTBJNCWIZJNMB-UHFFFAOYSA-N 0 0 432.502 3.129 1 0 IGAFRN Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1 ZINC000095479479 563180643 /nfs/dbraw/zinc/18/06/43/563180643.db2.gz IFFBOVLYGJAFKB-UHFFFAOYSA-N 0 0 431.456 3.164 1 0 in-vitro IGAFRN O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000095556171 563181408 /nfs/dbraw/zinc/18/14/08/563181408.db2.gz DYGDFRSMSRRCRG-UHFFFAOYSA-N 0 0 441.399 3.133 1 0 IGAFRN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)n(C(C)(C)C)n1 ZINC000095557600 563181735 /nfs/dbraw/zinc/18/17/35/563181735.db2.gz RQALBFRCBNHTDD-KRWDZBQOSA-N 0 0 441.557 3.287 1 0 IGAFRN O=C(NCCCNc1nc(Nc2cnn(C3CCOCC3)c2)ncc1C1CC1)C1CCC1 ZINC000095562389 563182667 /nfs/dbraw/zinc/18/26/67/563182667.db2.gz BPUHLRZXPRJIDO-UHFFFAOYSA-N 0 0 439.564 3.364 1 0 IGAFRN Cn1cnc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2cccc(Cl)c2)c1 ZINC000095564230 563183072 /nfs/dbraw/zinc/18/30/72/563183072.db2.gz BWLZWMAQNQUSKI-GOSISDBHSA-N 0 0 430.917 3.222 1 0 IGAFRN CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(CCC(=O)OC)C(=O)c1cc(OC)ccc12 ZINC000095571530 563184519 /nfs/dbraw/zinc/18/45/19/563184519.db2.gz LPKWVGHWFCAILY-RDGATRHJSA-N 0 0 437.492 3.121 3 0 IGAFRN CSc1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000095571979 563184694 /nfs/dbraw/zinc/18/46/94/563184694.db2.gz KGZLHIUAOKRDKJ-INIZCTEOSA-N 0 0 426.991 3.494 1 0 IGAFRN CNc1nc(Nc2cc(C)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F ZINC000095578591 563186731 /nfs/dbraw/zinc/18/67/31/563186731.db2.gz TXNVISBGVPMNMN-UHFFFAOYSA-N 0 0 425.411 3.070 1 0 IGAFRN C[C@@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)c(Cl)c2)C1 ZINC000095579803 563187105 /nfs/dbraw/zinc/18/71/05/563187105.db2.gz RPQPNGLFYHFUKB-LBPRGKRZSA-N 0 0 447.898 3.088 1 0 IGAFRN COC1=C(c2ccc(Cl)cc2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594055 563190888 /nfs/dbraw/zinc/19/08/88/563190888.db2.gz YZGLTMYTBNGJFV-CTNGQTDRSA-N 0 0 433.863 3.332 1 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600242 563192545 /nfs/dbraw/zinc/19/25/45/563192545.db2.gz WFDVSVFZJXOZLS-KRWDZBQOSA-N 0 0 443.544 3.304 3 0 IGAFRN CC(C)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl ZINC000095604831 563193790 /nfs/dbraw/zinc/19/37/90/563193790.db2.gz VOKWUQZRQWNKGW-SFTDATJTSA-N 0 0 448.007 3.321 3 0 IGAFRN O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccs1 ZINC000095605649 563194058 /nfs/dbraw/zinc/19/40/58/563194058.db2.gz NKEVIUINSXOZHY-FQEVSTJZSA-N 0 0 431.477 3.240 3 0 IGAFRN COc1ccc(-c2ccc([C@H]3[C@@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@@H]3CO)cc2)cc1 ZINC000095797561 563194610 /nfs/dbraw/zinc/19/46/10/563194610.db2.gz XZTHWMVTNWXISA-ARNLJNQMSA-N 0 0 434.536 3.050 1 0 IGAFRN O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nc3ccccc3nc2C2CCOCC2)C1 ZINC000096168931 563195406 /nfs/dbraw/zinc/19/54/06/563195406.db2.gz KVCSBABEDGFMCD-UHFFFAOYSA-N 0 0 429.480 3.304 1 0 IGAFRN CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@@H](C)O4)CC2)c(Cl)c1 ZINC000096274139 563197069 /nfs/dbraw/zinc/19/70/69/563197069.db2.gz VGVJZUWQVBBTHR-OAHLLOKOSA-N 0 0 442.947 3.050 1 0 IGAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccn2)nc2sc(C)cn21 ZINC000096906071 563197611 /nfs/dbraw/zinc/19/76/11/563197611.db2.gz KUZWGKCFHSPPCJ-UHFFFAOYSA-N 0 0 438.509 3.347 1 0 IGAFRN COc1cc(C(=O)N2CCN(c3ncnc4sc(C)c(C)c43)CC2)cc(OC)c1OC ZINC000001377213 132244285 /nfs/dbraw/zinc/24/42/85/132244285.db2.gz MKQGLUATHPNQKK-UHFFFAOYSA-N 0 0 442.541 3.296 3 0 IGAFRN COc1ccc([C@H]2CC(=O)C[C@@H](c3ccc(OC)cc3)C23C(=O)NC(=S)NC3=O)cc1 ZINC000001860533 562925018 /nfs/dbraw/zinc/92/50/18/562925018.db2.gz OANOGOKZZAEWTE-KDURUIRLSA-N 0 0 438.505 3.292 1 0 IGAFRN COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1 ZINC000003061662 562932382 /nfs/dbraw/zinc/93/23/82/562932382.db2.gz WFKRHGQRBKQHPT-UHFFFAOYSA-N 0 0 446.569 3.353 3 0 IGAFRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2Cl)no1 ZINC000004383650 562943173 /nfs/dbraw/zinc/94/31/73/562943173.db2.gz AWZFOYOAXIEFIF-UHFFFAOYSA-N 0 0 446.935 3.443 3 0 IGAFRN CCO[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000005759626 562944625 /nfs/dbraw/zinc/94/46/25/562944625.db2.gz XWWKNDVCCMQSIV-COWZOJLOSA-N 0 0 428.437 3.150 1 0 IGAFRN CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1 ZINC000006577061 562947390 /nfs/dbraw/zinc/94/73/90/562947390.db2.gz COCWVBMGQOWMSR-SFHVURJKSA-N 0 0 430.574 3.276 3 0 aggregator IGAFRN CCOc1ccc(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)cc1 ZINC000008592102 562952215 /nfs/dbraw/zinc/95/22/15/562952215.db2.gz PQWVPAYSIYJSEU-UHFFFAOYSA-N 0 0 431.558 3.093 1 0 IGAFRN COc1ccc(NC(=O)CN2CCN(Cc3ccccc3Cl)S2(=O)=O)cc1Cl ZINC000008592291 562952281 /nfs/dbraw/zinc/95/22/81/562952281.db2.gz MABXINBNPNBGAT-UHFFFAOYSA-N 0 0 444.340 3.003 1 0 IGAFRN O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000008716827 562963803 /nfs/dbraw/zinc/96/38/03/562963803.db2.gz OSIKBDFHNSRJFV-FQEVSTJZSA-N 0 0 449.507 3.190 3 0 IGAFRN Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000009678323 562975422 /nfs/dbraw/zinc/97/54/22/562975422.db2.gz SOPKPLVPZSUENH-UHFFFAOYSA-N 0 0 437.565 3.303 3 0 IGAFRN COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 ZINC000009717049 562976061 /nfs/dbraw/zinc/97/60/61/562976061.db2.gz BIWLSWLSEVGBCM-MRXNPFEDSA-N 0 0 425.510 3.060 3 0 IGAFRN Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000011814082 562979402 /nfs/dbraw/zinc/97/94/02/562979402.db2.gz LEHRUBFSHGQORP-LJQANCHMSA-N 0 0 426.586 3.433 3 0 IGAFRN COc1cc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000013411715 562985863 /nfs/dbraw/zinc/98/58/63/562985863.db2.gz PIYHDSUVUSVLGU-OBWXTZQISA-N 0 0 448.512 3.104 1 0 endogenous,in-man IGAFRN CC/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478694 562989232 /nfs/dbraw/zinc/98/92/32/562989232.db2.gz FNMHNPKQIXJKQG-NGDYWKACSA-N 0 0 440.544 3.121 3 0 IGAFRN COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c21 ZINC000013519832 562991262 /nfs/dbraw/zinc/99/12/62/562991262.db2.gz CPTXZVAIZCMESQ-HGMMTPDKSA-N 0 0 440.588 3.322 1 0 IGAFRN Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(N)c2)n1 ZINC000013527724 562991762 /nfs/dbraw/zinc/99/17/62/562991762.db2.gz KXEVAWQCBZSBMD-UHFFFAOYSA-N 0 0 447.520 3.330 1 0 IGAFRN COc1ccc(Br)cc1C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000013588505 562995952 /nfs/dbraw/zinc/99/59/52/562995952.db2.gz KSANSFZVRVSECI-UHFFFAOYSA-N 0 0 449.345 3.263 1 0 IGAFRN COc1cc(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)cc(OC)c1OC ZINC000013605318 562997181 /nfs/dbraw/zinc/99/71/81/562997181.db2.gz JEUHOARGAQARDY-SSEXGKCCSA-N 0 0 427.482 3.063 1 0 IGAFRN Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(-c3ccco3)nn21 ZINC000013612480 562998107 /nfs/dbraw/zinc/99/81/07/562998107.db2.gz DRDYCIRTYHXJQU-CYBMUJFWSA-N 0 0 442.886 3.231 1 0 IGAFRN CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@@H](Nc3ccccc3-c3nn[nH]n3)CC[C@H]2CN1 ZINC000013645814 562998708 /nfs/dbraw/zinc/99/87/08/562998708.db2.gz KQDBQKHPLFHNIW-NYUBLWNDSA-N 0 0 426.565 3.405 1 0 IGAFRN COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CC2)cc1 ZINC000013681595 563000939 /nfs/dbraw/zinc/00/09/39/563000939.db2.gz SBYDVCNHRKXOCI-UHFFFAOYSA-N 0 0 434.414 3.358 1 0 IGAFRN Cc1c(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc2n1C(=O)N1CCOCC1 ZINC000013737524 563002552 /nfs/dbraw/zinc/00/25/52/563002552.db2.gz YJSCNSZVHGNBAU-AVRDEDQJSA-N 0 0 436.537 3.232 1 0 IGAFRN O=c1c2cccn2c2ccccc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861554 563012810 /nfs/dbraw/zinc/01/28/10/563012810.db2.gz XULBSRLCPNINGW-UHFFFAOYSA-N 0 0 442.342 3.398 1 0 IGAFRN CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1 ZINC000014945648 563015375 /nfs/dbraw/zinc/01/53/75/563015375.db2.gz WFBVMRMNIMMRCE-UHFFFAOYSA-N 0 0 432.452 3.167 1 0 IGAFRN CC(=O)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000014958097 563015909 /nfs/dbraw/zinc/01/59/09/563015909.db2.gz ZHXQDJKGZFPIEY-OAQYLSRUSA-N 0 0 448.567 3.265 3 0 IGAFRN CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1 ZINC000014974234 563016714 /nfs/dbraw/zinc/01/67/14/563016714.db2.gz LOVKXHMIRFCDPP-UHFFFAOYSA-N 0 0 444.495 3.311 1 0 IGAFRN CCc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1 ZINC000015890124 563018225 /nfs/dbraw/zinc/01/82/25/563018225.db2.gz XTYUWWSWPUECKP-QFIPXVFZSA-N 0 0 443.569 3.100 3 0 IGAFRN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015941970 563019581 /nfs/dbraw/zinc/01/95/81/563019581.db2.gz CZOLGKNFTGIGPZ-JOCHJYFZSA-N 0 0 437.565 3.477 3 0 IGAFRN COc1ccc([C@@]23C(=O)c4ccccc4N2Oc2c(O)n(-c4ccccc4)c(O)c23)cc1 ZINC000017195348 563021532 /nfs/dbraw/zinc/02/15/32/563021532.db2.gz XTUDEHARSIPFDI-BPYKYCOYSA-N 0 0 426.428 3.097 1 0 IGAFRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000020209204 563023981 /nfs/dbraw/zinc/02/39/81/563023981.db2.gz UGBYBGCCWJERKR-UHFFFAOYSA-N 0 0 445.972 3.150 1 0 IGAFRN CCc1ccc2nc(NC(=O)c3ccc4c(c3)nc(CN3CCOCC3)[nH]c4=O)sc2c1 ZINC000025778099 563027623 /nfs/dbraw/zinc/02/76/23/563027623.db2.gz OITDDRGMTMXSCY-UHFFFAOYSA-N 0 0 449.536 3.180 3 0 IGAFRN CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)OCc2ccccc2)C3)C(=O)O1 ZINC000027423047 563042143 /nfs/dbraw/zinc/04/21/43/563042143.db2.gz YHEQSNWXIDTHDR-QFIPXVFZSA-N 0 0 437.496 3.233 1 0 IGAFRN COC(=O)C/C=C/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000027627059 563044664 /nfs/dbraw/zinc/04/46/64/563044664.db2.gz FDLAWQMKYQSKSJ-HAHIBVEXSA-N 0 0 436.932 3.059 1 0 IGAFRN Fc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000028570858 563059076 /nfs/dbraw/zinc/05/90/76/563059076.db2.gz XARHVILHYGKXGM-UHFFFAOYSA-N 0 0 427.459 3.381 1 0 IGAFRN COc1nc2ccc(NC(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)cc2nc1OC ZINC000028702979 563061619 /nfs/dbraw/zinc/06/16/19/563061619.db2.gz XZQGFDFLKKLIIQ-HNNXBMFYSA-N 0 0 441.532 3.340 1 0 IGAFRN C[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)Nc1ccccc1 ZINC000029322324 563077815 /nfs/dbraw/zinc/07/78/15/563077815.db2.gz HHHFZDWACHYGEX-BDJLRTHQSA-N 0 0 428.286 3.214 1 0 IGAFRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21 ZINC000029332711 563078187 /nfs/dbraw/zinc/07/81/87/563078187.db2.gz OXCLENVMHHTHLI-NRFANRHFSA-N 0 0 447.516 3.345 1 0 IGAFRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000031174644 563083233 /nfs/dbraw/zinc/08/32/33/563083233.db2.gz KMUQQVJELVBXPY-UHFFFAOYSA-N 0 0 425.435 3.335 3 0 IGAFRN C[NH2+]C[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)C1 ZINC000032016802 563084015 /nfs/dbraw/zinc/08/40/15/563084015.db2.gz SOZLABVDYGGOQU-LBPRGKRZSA-N 0 0 431.414 3.152 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@@H]1O ZINC000034392721 563086276 /nfs/dbraw/zinc/08/62/76/563086276.db2.gz LHPCGJVWVCFFAG-CEXJFXJFSA-N 0 0 441.553 3.263 1 0 IGAFRN CC(=O)OCC(=O)N1CCC(c2nnc3ccc(Sc4ccc(F)cc4F)cn32)CC1 ZINC000035880667 563090303 /nfs/dbraw/zinc/09/03/03/563090303.db2.gz SULJLPNAVBCKJL-UHFFFAOYSA-N 0 0 446.479 3.428 1 0 IGAFRN CCCn1c2[nH]c(-c3cnn(Cc4c(F)cc(F)cc4F)c3)nc2c(=O)n(CCC)c1=O ZINC000036190438 563092068 /nfs/dbraw/zinc/09/20/68/563092068.db2.gz MNTBZWJTRUMJSU-UHFFFAOYSA-N 0 0 446.433 3.035 1 0 IGAFRN CCOC(=O)CN1C(=O)N(CCCn2ccnc2)C(=O)[C@@]1(C)c1cccc2ccccc21 ZINC000036330417 563092833 /nfs/dbraw/zinc/09/28/33/563092833.db2.gz RZOJUYACASNMGU-XMMPIXPASA-N 0 0 434.496 3.169 1 0 IGAFRN Cc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382418 563093932 /nfs/dbraw/zinc/09/39/32/563093932.db2.gz ULQZHSAABXMSBF-LJQANCHMSA-N 0 0 428.540 3.459 3 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C ZINC000036387231 563094639 /nfs/dbraw/zinc/09/46/39/563094639.db2.gz LEOIMPLHYWDXBN-CCIIEHSASA-N 0 0 434.492 3.399 3 0 IGAFRN Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCCCCNC(=O)OC(C)(C)C)cc1 ZINC000036387749 563094685 /nfs/dbraw/zinc/09/46/85/563094685.db2.gz DHFKBCKWSPZADS-UHFFFAOYSA-N 0 0 429.521 3.395 3 0 IGAFRN Cc1cccc(Nc2cc(Nc3cccc(C(=O)N(C[C@H](C)O)C[C@H](C)O)c3)ncn2)c1 ZINC000039301230 563099098 /nfs/dbraw/zinc/09/90/98/563099098.db2.gz TTWPSDZABVQRLN-ROUUACIJSA-N 0 0 435.528 3.476 1 0 IGAFRN CC[NH2+]CC1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OCC)CC1 ZINC000040466277 563103992 /nfs/dbraw/zinc/10/39/92/563103992.db2.gz INOHNPKORNRTTI-UHFFFAOYSA-N 0 0 431.508 3.398 1 0 IGAFRN CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@@H](O)COc1ccccc1OC ZINC000040763371 563106393 /nfs/dbraw/zinc/10/63/93/563106393.db2.gz GWPHMGZIJLZJPK-QGZVFWFLSA-N 0 0 426.469 3.184 1 0 IGAFRN CC1(C)C=Cc2c3[nH]c4c(c3ccc2O1)C(=O)[C@@]12NC(=O)[C@]3(CCCN3C1=O)C[C@H]2C4(C)C ZINC000040860913 563107980 /nfs/dbraw/zinc/10/79/80/563107980.db2.gz CDJZXTFDGOKTOT-MEMLUFBQSA-N 0 0 445.519 3.076 1 0 IGAFRN CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccc2c(c1)OCO2 ZINC000040873193 563109108 /nfs/dbraw/zinc/10/91/08/563109108.db2.gz SGMXIIBNLPOUAX-VQTJNVASSA-N 0 0 449.532 3.367 1 0 IGAFRN NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 ZINC000040895957 563110386 /nfs/dbraw/zinc/11/03/86/563110386.db2.gz RIHKRDVFSOWGFA-OAQYLSRUSA-N 0 0 426.476 3.247 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc4ccccc4n3)C(=O)O2)cc1 ZINC000040896397 563110453 /nfs/dbraw/zinc/11/04/53/563110453.db2.gz QKLKBJXBLVSOJG-ODUAORJMSA-N 0 0 432.476 3.219 1 0 IGAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1Cl ZINC000040899727 563110851 /nfs/dbraw/zinc/11/08/51/563110851.db2.gz ZFEBLMBFMZSFQY-REWPJTCUSA-N 0 0 436.939 3.401 1 0 IGAFRN COc1ccccc1N1CCN(CCN2C(=O)[C@H]3Sc4ccccc4[C@@H]3N=C2C)CC1 ZINC000040943728 563113617 /nfs/dbraw/zinc/11/36/17/563113617.db2.gz YTUVCBHWXNZHCJ-GOTSBHOMSA-N 0 0 436.581 3.293 1 0 IGAFRN CCOC(=O)[C@H](C)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n21 ZINC000040957125 563114814 /nfs/dbraw/zinc/11/48/14/563114814.db2.gz QXABQLDOIDLDGI-OAHLLOKOSA-N 0 0 440.548 3.494 1 0 IGAFRN COc1cccc(Cc2cc(C)nn(CNC(=O)c3ccc(Br)cc3)c2=O)c1 ZINC000043120811 563118906 /nfs/dbraw/zinc/11/89/06/563118906.db2.gz POECUJMAAWECNO-UHFFFAOYSA-N 0 0 442.313 3.301 1 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2Br)CC1)c1c[nH]c2ccccc12 ZINC000045244915 563126286 /nfs/dbraw/zinc/12/62/86/563126286.db2.gz YSQKSYSTYSBCPS-UHFFFAOYSA-N 0 0 440.297 3.098 1 0 IGAFRN CN1C(=N)N[C@](c2ccc(OC(F)(F)F)cc2)(c2cc(F)cc(-c3cncnc3)c2)C1=O ZINC000045245842 563126651 /nfs/dbraw/zinc/12/66/51/563126651.db2.gz SWJSIMOUBCDDJW-HXUWFJFHSA-N 0 0 445.376 3.421 1 0 IGAFRN CCNC(=O)Nc1cn2c(cc(-c3ccn(CCF)c(=O)c3)cc2-c2ncc(C)cn2)n1 ZINC000045253032 563126762 /nfs/dbraw/zinc/12/67/62/563126762.db2.gz RCDQRGVAJLELSV-UHFFFAOYSA-N 0 0 435.463 3.039 1 0 IGAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CNC=O)c1 ZINC000045284481 563127983 /nfs/dbraw/zinc/12/79/83/563127983.db2.gz XTRUWSUOFJNHTJ-UHFFFAOYSA-N 0 0 428.295 3.302 1 0 IGAFRN CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cc[nH]n3)cn2)o1)C1CCCCC1 ZINC000045319059 563130144 /nfs/dbraw/zinc/13/01/44/563130144.db2.gz ZACZGYFEWPTMFL-NRFANRHFSA-N 0 0 437.500 3.068 1 0 IGAFRN Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NC[C@@H](O)c3ccccc3)nn2)CC1 ZINC000045348604 563132046 /nfs/dbraw/zinc/13/20/46/563132046.db2.gz QTBRDMNOZGAPAG-HSZRJFAPSA-N 0 0 444.535 3.348 1 0 IGAFRN CC(C)N(O)C(=O)NCc1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F ZINC000045364377 563132989 /nfs/dbraw/zinc/13/29/89/563132989.db2.gz QDKYDKRLCGLXOB-UHFFFAOYSA-N 0 0 437.838 3.180 1 0 IGAFRN COCCOCOCCCCCCC/C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O ZINC000045391715 563134097 /nfs/dbraw/zinc/13/40/97/563134097.db2.gz DHHYVZCGNYNTMM-QNJILJPISA-N 0 0 444.565 3.158 1 0 IGAFRN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2F)CC1 ZINC000045498074 563134629 /nfs/dbraw/zinc/13/46/29/563134629.db2.gz NZJOFNVIKAMGMH-UHFFFAOYSA-N 0 0 429.395 3.289 1 0 IGAFRN Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cnc(CO)cn1 ZINC000049045829 563136589 /nfs/dbraw/zinc/13/65/89/563136589.db2.gz LQOLVCAWVIQPRR-UHFFFAOYSA-N 0 0 438.228 3.048 1 0 IGAFRN O=C(Nc1nnc([C@@H]2CCCO2)s1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1 ZINC000049066846 563137252 /nfs/dbraw/zinc/13/72/52/563137252.db2.gz GKRARABJQLXMFM-ZDUSSCGKSA-N 0 0 439.457 3.391 1 0 IGAFRN CNC(=O)c1cc2cc(C(=O)N3CCC4(CC3)CC(=O)c3c(OC)cccc3O4)ccc2[nH]1 ZINC000049067731 563137398 /nfs/dbraw/zinc/13/73/98/563137398.db2.gz IVNARABLOZHGRS-UHFFFAOYSA-N 0 0 447.491 3.176 1 0 IGAFRN C[C@H](NC(=O)Cc1ccc(F)c(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000049111906 563138301 /nfs/dbraw/zinc/13/83/01/563138301.db2.gz XIRTZNQDBRXUOJ-XOBRGWDASA-N 0 0 432.467 3.211 1 0 IGAFRN CN(C)c1nc2nc(-c3ccco3)nn2c(NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000053276767 563141739 /nfs/dbraw/zinc/14/17/39/563141739.db2.gz SBBSNIXRGIGYMZ-UHFFFAOYSA-N 0 0 439.479 3.616 1 0 IGAFRN O=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CN1CCOCC1)OCCO3 ZINC000058581207 563144949 /nfs/dbraw/zinc/14/49/49/563144949.db2.gz MNQADWUBOBDXBC-UHFFFAOYSA-N 0 0 441.487 3.182 1 0 IGAFRN CC(C)(C)OC(=O)N1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1 ZINC000059068038 563146151 /nfs/dbraw/zinc/14/61/51/563146151.db2.gz DYTGIMMOPCQYNV-UHFFFAOYSA-N 0 0 448.541 3.019 1 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000061920949 563149120 /nfs/dbraw/zinc/14/91/20/563149120.db2.gz UBDPHTIJLJVAEF-LJQANCHMSA-N 0 0 427.545 3.387 3 0 IGAFRN COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)NCCc1ccccc1 ZINC000066111497 563158739 /nfs/dbraw/zinc/15/87/39/563158739.db2.gz IMNHGEDOARICPT-NRFANRHFSA-N 0 0 441.528 3.167 1 0 IGAFRN CC(C)C[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(N)=O ZINC000066112389 563159024 /nfs/dbraw/zinc/15/90/24/563159024.db2.gz CRCFBPNNBWZSBL-OFVILXPXSA-N 0 0 437.540 3.027 1 0 IGAFRN O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000066252842 563160271 /nfs/dbraw/zinc/16/02/71/563160271.db2.gz ZQTLVPOHXPLGHV-SSKZLSMOSA-N 0 0 441.018 3.345 1 0 IGAFRN CC(=O)Oc1cc(C)ccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 ZINC000072140931 563164498 /nfs/dbraw/zinc/16/44/98/563164498.db2.gz KWTWBRGTMDMOBY-UHFFFAOYSA-N 0 0 439.415 3.439 1 0 IGAFRN Cc1c(C(=O)c2ccccc2)cn2ncnc(Nc3cc(C(=O)NCCO)ccc3C)c12 ZINC000072175975 563165518 /nfs/dbraw/zinc/16/55/18/563165518.db2.gz UGDZPWQACLGKIP-UHFFFAOYSA-N 0 0 429.480 3.043 1 0 IGAFRN CCCOC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000072177925 563166127 /nfs/dbraw/zinc/16/61/27/563166127.db2.gz GTBGPJOQAORMIF-LJQANCHMSA-N 0 0 443.525 3.441 1 0 IGAFRN CC(=O)NC[C@H]1CN(c2ccc(-c3cccc(-c4nnc5ncccn54)c3)c(F)c2)C(=O)O1 ZINC000072180573 563166944 /nfs/dbraw/zinc/16/69/44/563166944.db2.gz LXPZRWQUSYWTOM-SFHVURJKSA-N 0 0 446.442 3.059 1 0 IGAFRN CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2c(NCCOC(C)C)nc1=O ZINC000073160631 563169415 /nfs/dbraw/zinc/16/94/15/563169415.db2.gz WVANLBXFBJNOKP-UHFFFAOYSA-N 0 0 441.532 3.126 1 0 in-vitro IGAFRN COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)cc(OC)c43)cn2)c1 ZINC000073223499 563170867 /nfs/dbraw/zinc/17/08/67/563170867.db2.gz XLZFINWQTYEKJR-UHFFFAOYSA-N 0 0 435.440 3.283 1 0 IGAFRN C[C@@H](C(=O)NCc1ccc(Br)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000073224044 563170957 /nfs/dbraw/zinc/17/09/57/563170957.db2.gz JKMIMEQWJAPXHW-LLVKDONJSA-N 0 0 429.311 3.380 1 0 IGAFRN C[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000073298149 563172234 /nfs/dbraw/zinc/17/22/34/563172234.db2.gz OLPSTWWOAPXNKC-WMZHIEFXSA-N 0 0 430.504 3.389 1 0 IGAFRN C[C@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073312395 563172272 /nfs/dbraw/zinc/17/22/72/563172272.db2.gz SXOJFGMXGDJOOS-CVDCTZTESA-N 0 0 430.504 3.389 1 0 IGAFRN CN(C)c1nc2c(c(N(C)CCc3ccccn3)n1)CN(C(=O)Nc1ccccc1)CC2 ZINC000095562697 563182745 /nfs/dbraw/zinc/18/27/45/563182745.db2.gz UOTPRKVJCIDVMD-UHFFFAOYSA-N 0 0 431.544 3.207 1 0 IGAFRN COc1ccc(NC(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)cc1 ZINC000095566982 563183669 /nfs/dbraw/zinc/18/36/69/563183669.db2.gz NQYQWYBLZOGQEU-SGNDLWITSA-N 0 0 430.508 3.471 1 0 IGAFRN O=C(NC1CCCCC1)c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1 ZINC000095574301 563185266 /nfs/dbraw/zinc/18/52/66/563185266.db2.gz REMFBSJNHDVKJY-UHFFFAOYSA-N 0 0 446.555 3.280 1 0 IGAFRN CCNc1nc(Nc2cc(F)c(C(=O)NCC(C)(C)O)cc2OC)ncc1C(F)(F)F ZINC000095575173 563185527 /nfs/dbraw/zinc/18/55/27/563185527.db2.gz UYQLYSMBAALBIQ-UHFFFAOYSA-N 0 0 445.417 3.319 1 0 IGAFRN CCCCNC(=O)N1Cc2c(NC(=O)c3ccc(OC)cc3)nn(C(=O)C3CC3)c2C1 ZINC000095579560 563187113 /nfs/dbraw/zinc/18/71/13/563187113.db2.gz JHXPKIVVBVBBBE-UHFFFAOYSA-N 0 0 425.489 3.020 1 0 IGAFRN COc1cccc(CN(CCN2CCOCC2)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 ZINC000095589704 563189744 /nfs/dbraw/zinc/18/97/44/563189744.db2.gz GQMCGRYPKMDMGV-UHFFFAOYSA-N 0 0 435.528 3.452 1 0 IGAFRN COc1ccc2c(c1)[nH]c1c2C2(CN(Cc3ccccc3Cl)C2)CN(C(C)=O)[C@H]1CO ZINC000095867531 563194649 /nfs/dbraw/zinc/19/46/49/563194649.db2.gz SBRYGAAXAGMYJH-NRFANRHFSA-N 0 0 439.943 3.479 1 0 IGAFRN CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000096941815 563200412 /nfs/dbraw/zinc/20/04/12/563200412.db2.gz FRWIGKWTMBNQMU-OAQYLSRUSA-N 0 0 425.529 3.095 1 0 IGAFRN Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000098082524 563200539 /nfs/dbraw/zinc/20/05/39/563200539.db2.gz GOMQTXJICVEQIV-UHFFFAOYSA-N 0 0 440.912 3.100 1 0 IGAFRN Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 ZINC000098082306 563200582 /nfs/dbraw/zinc/20/05/82/563200582.db2.gz IUCIOVDSDOVWRZ-UHFFFAOYSA-N 0 0 440.912 3.100 1 0 IGAFRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(NC3CCCCC3)nc(N3CCCCC3)n2)C1 ZINC000001424683 132245271 /nfs/dbraw/zinc/24/52/71/132245271.db2.gz ZVXZZJGNTLLYAN-RBUKOAKNSA-N 0 0 449.603 3.392 2 0 IGAFRN COc1cccc(CNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)c1 ZINC000008590940 132283828 /nfs/dbraw/zinc/28/38/28/132283828.db2.gz HLHLUTRUEDIUQY-UHFFFAOYSA-N 0 0 434.544 3.094 3 0 IGAFRN COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@@H]4C(=O)O[C@H]5C[C@@H]3C[C@@H]45)c2)c(OC)c1 ZINC000012470402 524643527 /nfs/dbraw/zinc/64/35/27/524643527.db2.gz RSKYRWYPOSHAMP-WSEGJOFWSA-N 0 0 436.464 3.092 1 0 IGAFRN CO[C@@H]1/C=C/C=C(\C)Cc2cc(O)cc(c2)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)CC1=O ZINC000004102389 560196840 /nfs/dbraw/zinc/19/68/40/560196840.db2.gz YGIOUPVSUFMGBC-DTHPZREMSA-N 0 0 443.540 3.058 1 0 in-vitro IGAFRN COc1cc([C@@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000001643201 562923638 /nfs/dbraw/zinc/92/36/38/562923638.db2.gz RATAWNZIHFKITP-IBGZPJMESA-N 0 0 442.420 3.226 1 0 IGAFRN CCOC(=O)NC(=O)CN(C)C(=O)c1c(F)ccc2c1ccc(OC)c2C(F)(F)F ZINC000002006563 562925572 /nfs/dbraw/zinc/92/55/72/562925572.db2.gz UIZVTOZQUJILIQ-UHFFFAOYSA-N 0 0 430.354 3.351 1 0 IGAFRN Cc1c(C(=O)Nc2c(F)cccc2F)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000002922350 562930522 /nfs/dbraw/zinc/93/05/22/562930522.db2.gz KMEJKAFEPIFWRI-UHFFFAOYSA-N 0 0 446.479 3.309 3 0 IGAFRN COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000003958805 562940064 /nfs/dbraw/zinc/94/00/64/562940064.db2.gz HILIMHHZWMHIAJ-UHFFFAOYSA-N 0 0 428.514 3.178 3 0 IGAFRN CSc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000004034471 562940886 /nfs/dbraw/zinc/94/08/86/562940886.db2.gz FGOUCXOQWYQZHO-LJQANCHMSA-N 0 0 445.566 3.085 3 0 IGAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000004035781 562941185 /nfs/dbraw/zinc/94/11/85/562941185.db2.gz ADPQQRFXDLYAFI-ZDUSSCGKSA-N 0 0 429.420 3.020 3 0 IGAFRN Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1c(F)cccc1Cl ZINC000004436617 562943285 /nfs/dbraw/zinc/94/32/85/562943285.db2.gz IAQNDHNUGXBPNG-UHFFFAOYSA-N 0 0 449.939 3.075 3 0 IGAFRN O=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000006577284 562947538 /nfs/dbraw/zinc/94/75/38/562947538.db2.gz AXLLKSKINQEWDL-UHFFFAOYSA-N 0 0 431.341 3.386 3 0 aggregator IGAFRN CSc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000008593733 562952844 /nfs/dbraw/zinc/95/28/44/562952844.db2.gz DOIHFDLFSYKWMQ-UHFFFAOYSA-N 0 0 443.594 3.464 1 0 IGAFRN Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccccc3)C(C)C)CC2)cc1 ZINC000008680218 562961498 /nfs/dbraw/zinc/96/14/98/562961498.db2.gz UTIBYNUQEKAUDI-HSZRJFAPSA-N 0 0 444.597 3.459 3 0 IGAFRN Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3cccc(Cl)c3)CC2)cc1 ZINC000008680231 562961508 /nfs/dbraw/zinc/96/15/08/562961508.db2.gz UDAXTMIGDCPMAK-UHFFFAOYSA-N 0 0 436.961 3.088 3 0 IGAFRN Cc1cnc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)/C=C/c2cccs2)C3)cn1 ZINC000011913012 562979701 /nfs/dbraw/zinc/97/97/01/562979701.db2.gz WFGZFSNQSOBQRC-AATRIKPKSA-N 0 0 433.537 3.078 1 0 IGAFRN COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccccc2-n2cccn2)C3)nn1 ZINC000012031172 562980548 /nfs/dbraw/zinc/98/05/48/562980548.db2.gz CFAUVOJLCZDXBG-QGZVFWFLSA-N 0 0 427.464 3.071 1 0 IGAFRN CN(C)S(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000012299584 562981040 /nfs/dbraw/zinc/98/10/40/562981040.db2.gz SDXDAUPSLSLFPH-UHFFFAOYSA-N 0 0 427.448 3.122 3 0 IGAFRN CSc1nc2n(n1)[C@H](c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2 ZINC000013123727 562984839 /nfs/dbraw/zinc/98/48/39/562984839.db2.gz SNWWQRITSUDZLL-CYBMUJFWSA-N 0 0 426.315 3.279 3 0 IGAFRN CCNc1c2c(nn1C)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(-c3ccco3)nc21 ZINC000013493998 562991012 /nfs/dbraw/zinc/99/10/12/562991012.db2.gz HVOOLKXFKGSNFT-UHFFFAOYSA-N 0 0 447.459 3.355 1 0 IGAFRN COc1ccc(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCF)c1 ZINC000013605342 562997188 /nfs/dbraw/zinc/99/71/88/562997188.db2.gz QGJDCUDOYODYQA-PMERELPUSA-N 0 0 429.473 3.394 1 0 IGAFRN COc1ccc(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1OC ZINC000013605310 562997196 /nfs/dbraw/zinc/99/71/96/562997196.db2.gz IJIYFBOLAUNRBX-SSEXGKCCSA-N 0 0 427.482 3.063 1 0 IGAFRN Cc1c2cnc(Nc3ccc(N4CC[NH2+]CC4)cc3)nc2n(C2CCCC2)c(=O)c1C(=O)[O-] ZINC000013641563 562998406 /nfs/dbraw/zinc/99/84/06/562998406.db2.gz QTLFLVQRLMPSOF-UHFFFAOYSA-N 0 0 448.527 3.066 1 0 IGAFRN CCN1c2ncc(CCc3ccnc(C(N)=O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780560 563006472 /nfs/dbraw/zinc/00/64/72/563006472.db2.gz CVKUHCDBBJWDLQ-UHFFFAOYSA-N 0 0 436.903 3.157 1 0 IGAFRN CCN1c2ncc(COc3cc[n+]([O-])c(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780572 563006500 /nfs/dbraw/zinc/00/65/00/563006500.db2.gz OHJHLJNZRORZMK-UHFFFAOYSA-N 0 0 425.876 3.399 1 0 IGAFRN Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[NH+]1CCCCC1 ZINC000013802622 563007959 /nfs/dbraw/zinc/00/79/59/563007959.db2.gz QMMIRGCJXAXRAM-ZEQRLZLVSA-N 0 0 436.552 3.444 1 0 IGAFRN COc1cc2nc(N(C)[C@@H]3CCCC[C@@H]3N(C)C(=O)c3ccco3)nc(N)c2cc1OC ZINC000013826084 563010478 /nfs/dbraw/zinc/01/04/78/563010478.db2.gz HZNHGMXFMGRNNC-DLBZAZTESA-N 0 0 439.516 3.342 1 0 IGAFRN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(OC)cc2OC)CN1Cc1cccc2ccccc21 ZINC000014970436 563016571 /nfs/dbraw/zinc/01/65/71/563016571.db2.gz FVKBGMPPTQVRJN-CVDCTZTESA-N 0 0 448.519 3.403 1 0 IGAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]12C ZINC000015935642 563018732 /nfs/dbraw/zinc/01/87/32/563018732.db2.gz OFLUTENOCTXOII-OKFYXZINSA-N 0 0 436.464 3.165 3 0 IGAFRN O=C(NCC1CC1)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCC1CC1 ZINC000015936617 563018900 /nfs/dbraw/zinc/01/89/00/563018900.db2.gz USVHELBQHDASAM-UHFFFAOYSA-N 0 0 425.514 3.123 3 0 IGAFRN CC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000015937096 563019193 /nfs/dbraw/zinc/01/91/93/563019193.db2.gz GDHJLWFFELBOHM-UHFFFAOYSA-N 0 0 434.496 3.001 3 0 IGAFRN Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)cc2c1 ZINC000019221001 563022437 /nfs/dbraw/zinc/02/24/37/563022437.db2.gz JJLXVLWPUFIUBC-UHFFFAOYSA-N 0 0 438.503 3.342 3 0 IGAFRN CO[C@H](c1nnc(CCC(=O)N2CCN(Cc3cccs3)CC2)o1)c1ccccc1 ZINC000020912327 563025231 /nfs/dbraw/zinc/02/52/31/563025231.db2.gz LEEOFPCMIMQUPD-NRFANRHFSA-N 0 0 426.542 3.144 3 0 IGAFRN COc1cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c2c(OC)c1OC ZINC000026376232 563031069 /nfs/dbraw/zinc/03/10/69/563031069.db2.gz DPMAMVLUCQLSPL-UHFFFAOYSA-N 0 0 428.393 3.336 1 0 IGAFRN COc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 ZINC000026375704 563031088 /nfs/dbraw/zinc/03/10/88/563031088.db2.gz OROBBIIDFVAOPI-DEOSSOPVSA-N 0 0 431.467 3.333 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4c(ccc5ccccc54)O3)O2)c(=O)[nH]c1=O ZINC000026736162 563036154 /nfs/dbraw/zinc/03/61/54/563036154.db2.gz KGWFETRZCYQEIS-PFUDXUENSA-N 0 0 442.364 3.186 1 0 IGAFRN COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)NC3=COC(=O)C32)cc(OC)c1OC ZINC000026939755 563037974 /nfs/dbraw/zinc/03/79/74/563037974.db2.gz ZUKLQPSFXBGCBI-QGZVFWFLSA-N 0 0 443.452 3.107 1 0 IGAFRN Cc1c2c(c(C)c(OC(=O)[C@@H](N)C(C)C)c1C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994340 563038910 /nfs/dbraw/zinc/03/89/10/563038910.db2.gz NLIHGRROPOICNL-PXNSSMCTSA-N 0 0 428.529 3.070 1 0 IGAFRN Cc1c2c(c(C)c(OC(=O)[C@H](N)C(C)C)c1C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994335 563038923 /nfs/dbraw/zinc/03/89/23/563038923.db2.gz NLIHGRROPOICNL-FXAWDEMLSA-N 0 0 428.529 3.070 1 0 IGAFRN CCOC(=O)c1cn(C(C)(C)C)c2cc(N3CCN(c4ccccn4)CC3)c(N)cc2c1=O ZINC000027211916 563041041 /nfs/dbraw/zinc/04/10/41/563041041.db2.gz BYKIUHHQDXZBFX-UHFFFAOYSA-N 0 0 449.555 3.237 1 0 IGAFRN Cc1c(N2CC[C@@](C[NH3+])(C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12 ZINC000027422538 563042105 /nfs/dbraw/zinc/04/21/05/563042105.db2.gz DUJZHWAIAPRENU-IBGZPJMESA-N 0 0 427.398 3.040 1 0 IGAFRN COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)N3CCOCC3)[C@@H]1C=C2 ZINC000027524645 563043051 /nfs/dbraw/zinc/04/30/51/563043051.db2.gz YUEGPBINYSBFAP-ZPZUNKDASA-N 0 0 441.524 3.210 1 0 IGAFRN O=C([O-])c1c2n(c3cc(N4CC[NH2+]CC4)c(F)cc3c1=O)[C@H](c1ccccc1F)S2 ZINC000027524851 563043175 /nfs/dbraw/zinc/04/31/75/563043175.db2.gz LSLQLOXETFSCKH-IBGZPJMESA-N 0 0 429.448 3.040 1 0 IGAFRN CCOC(=O)C1C=C2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(Br)cc2)=N1 ZINC000027994976 563049096 /nfs/dbraw/zinc/04/90/96/563049096.db2.gz YFNUDWQHKLFPDN-GDBMZVCRSA-N 0 0 439.265 3.405 1 0 IGAFRN O=C(Nc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027997038 563049163 /nfs/dbraw/zinc/04/91/63/563049163.db2.gz OQWJKOITLPKNGK-HSZRJFAPSA-N 0 0 449.942 3.406 1 0 IGAFRN C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2C[C@H](O)C3)n1)c1ccccc1 ZINC000028367331 563053698 /nfs/dbraw/zinc/05/36/98/563053698.db2.gz NDYUNAFGVYGUBG-BEFAXECRSA-N 0 0 431.471 3.461 1 0 IGAFRN COc1cc(Nc2nccnc2-c2nc(Nc3ccc4c(c3)OCO4)n[nH]2)cc(OC)c1 ZINC000028529988 563057437 /nfs/dbraw/zinc/05/74/37/563057437.db2.gz PXVQODJRWVOMHH-UHFFFAOYSA-N 0 0 433.428 3.495 1 0 IGAFRN CCOC(=O)CN1C(=O)N(CCCc2cncn2C)C(=O)[C@@]1(C)c1cccc2ccccc21 ZINC000028571982 563059491 /nfs/dbraw/zinc/05/94/91/563059491.db2.gz DVKDXGDRDHMPRP-RUZDIDTESA-N 0 0 448.523 3.249 1 0 IGAFRN CS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1 ZINC000028636518 563059875 /nfs/dbraw/zinc/05/98/75/563059875.db2.gz YFVAGXCBQNGTOV-UHFFFAOYSA-N 0 0 429.571 3.026 1 0 IGAFRN O=c1n(Cc2nnc(SCc3cccc(F)c3)s2)nnn1-c1ccc(Cl)cc1 ZINC000028647671 563060863 /nfs/dbraw/zinc/06/08/63/563060863.db2.gz RVNIHHZDBOKOMW-UHFFFAOYSA-N 0 0 434.909 3.414 1 0 IGAFRN CCOC(=O)c1cn(Cc2ccc(Br)cc2)c2c3nnn(C)c3ccc2c1=O ZINC000028704633 563061902 /nfs/dbraw/zinc/06/19/02/563061902.db2.gz SESIKKHZZRTNHK-UHFFFAOYSA-N 0 0 441.285 3.271 1 0 IGAFRN CC(C)(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(-n2ccccc2=O)cc1 ZINC000028822822 563065825 /nfs/dbraw/zinc/06/58/25/563065825.db2.gz ICYXTILCNJUGQZ-UHFFFAOYSA-N 0 0 429.929 3.491 1 0 IGAFRN C[C@H](C(=O)NCCC(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000028824915 563066107 /nfs/dbraw/zinc/06/61/07/563066107.db2.gz RNMFABUEABNDQC-ACJLOTCBSA-N 0 0 433.430 3.192 1 0 IGAFRN Cc1c(CC(=O)NCCCO[N+](=O)[O-])c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 ZINC000028862780 563066931 /nfs/dbraw/zinc/06/69/31/563066931.db2.gz QJJDMVZYFRBIHO-UHFFFAOYSA-N 0 0 445.859 3.254 1 0 IGAFRN CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1c2ccccc2C=NN(C)C1=O ZINC000028899910 563069018 /nfs/dbraw/zinc/06/90/18/563069018.db2.gz JHTLAAWJQMVUGR-UNMCSNQZSA-N 0 0 426.561 3.151 1 0 IGAFRN Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)CN)c(C)c34)c2F)[nH]1 ZINC000029134443 563076118 /nfs/dbraw/zinc/07/61/18/563076118.db2.gz SJDOZKJTMVUAKV-GFCCVEGCSA-N 0 0 427.436 3.028 1 0 IGAFRN C[C@@]1(CC(=O)Nc2ccccc2)CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 ZINC000029322742 563077912 /nfs/dbraw/zinc/07/79/12/563077912.db2.gz CWRNSJZGXHEFDM-FQEVSTJZSA-N 0 0 428.286 3.143 1 0 IGAFRN COc1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000029343059 563078528 /nfs/dbraw/zinc/07/85/28/563078528.db2.gz ZQZRGZFOACUHDJ-OAQYLSRUSA-N 0 0 430.526 3.097 1 0 IGAFRN COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CC(C)=O)CC2 ZINC000029469104 563080495 /nfs/dbraw/zinc/08/04/95/563080495.db2.gz RGFRRSAKSAXXGF-INIZCTEOSA-N 0 0 443.521 3.241 1 0 IGAFRN C[C@@H](n1cnc2c(Cl)cccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029552461 563082020 /nfs/dbraw/zinc/08/20/20/563082020.db2.gz SLWLEXPMAGFIRA-MPBGBICISA-N 0 0 431.830 3.069 1 0 IGAFRN COc1cc(CCc2cc3c(nc(N)nc3N)s2)c(Br)c(OC)c1OC ZINC000032062528 563084096 /nfs/dbraw/zinc/08/40/96/563084096.db2.gz OGVSFMIDAZPLJT-UHFFFAOYSA-N 0 0 439.335 3.429 1 0 IGAFRN CCc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1 ZINC000036126712 563091207 /nfs/dbraw/zinc/09/12/07/563091207.db2.gz DOYKZJFYZSSDTP-UHFFFAOYSA-N 0 0 434.492 3.479 1 0 IGAFRN CCCn1c2[nH]c(-c3cnn(Cc4cc(F)ccc4Cl)c3)nc2c(=O)n(CCC)c1=O ZINC000036190423 563092057 /nfs/dbraw/zinc/09/20/57/563092057.db2.gz WDUVTIAQCMXHFJ-UHFFFAOYSA-N 0 0 444.898 3.411 1 0 IGAFRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000036387741 563094627 /nfs/dbraw/zinc/09/46/27/563094627.db2.gz FIQRZDQFUYKLMI-UHFFFAOYSA-N 0 0 447.923 3.445 3 0 IGAFRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036387740 563094652 /nfs/dbraw/zinc/09/46/52/563094652.db2.gz URVBPHTYWFMQQY-UHFFFAOYSA-N 0 0 447.923 3.445 3 0 IGAFRN CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cc1 ZINC000036488290 563095662 /nfs/dbraw/zinc/09/56/62/563095662.db2.gz WGINRGMRUOSXBR-UHFFFAOYSA-N 0 0 446.429 3.450 1 0 IGAFRN COC(=O)[C@@H]1C=CCON2CCc3c4ccccc4n(S(=O)(=O)c4ccccc4)c3[C@H]12 ZINC000038560850 563098048 /nfs/dbraw/zinc/09/80/48/563098048.db2.gz KDKJPSCEPZYYDT-CTNGQTDRSA-N 0 0 438.505 3.068 1 0 IGAFRN CN(N)C/C=C/C(=O)Nc1cc2c(cn1)nccc2Nc1cccc(Br)c1 ZINC000040392584 563099940 /nfs/dbraw/zinc/09/99/40/563099940.db2.gz FHJYOQCADPXZHS-ZZXKWVIFSA-N 0 0 427.306 3.436 1 0 IGAFRN C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1)c1ccc2ccccc2c1 ZINC000040395096 563100660 /nfs/dbraw/zinc/10/06/60/563100660.db2.gz UXYOCRLZKBFANG-VLIAUNLRSA-N 0 0 428.496 3.402 1 0 in-vitro IGAFRN COc1ccccc1N1CCN(CN2C(=O)C[C@H](c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000040411012 563101663 /nfs/dbraw/zinc/10/16/63/563101663.db2.gz VDKHIYMQULSIHG-QGZVFWFLSA-N 0 0 447.457 3.336 1 0 IGAFRN CC(C)(C(=O)Nc1nnc([C@@]2(C)CCOC2)s1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040845737 563107324 /nfs/dbraw/zinc/10/73/24/563107324.db2.gz RZVOLNBRSAOMJA-KRWDZBQOSA-N 0 0 429.951 3.061 1 0 IGAFRN COc1cc(OC)nc(NC(=S)NC(=O)[C@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859850 563107936 /nfs/dbraw/zinc/10/79/36/563107936.db2.gz PDZWMWIADVKZOV-VNOPMVQUSA-N 0 0 438.859 3.264 1 0 IGAFRN Cc1ccc(CNC(=O)c2cn(C)c3oc(CN(C)C[C@@H](O)c4ccco4)cc3c2=O)cc1 ZINC000040935966 563112743 /nfs/dbraw/zinc/11/27/43/563112743.db2.gz NTTFVKRQYOIKFA-OAQYLSRUSA-N 0 0 449.507 3.128 1 0 IGAFRN Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnnc2NCCN2CCOCC2)c1 ZINC000040953247 563114295 /nfs/dbraw/zinc/11/42/95/563114295.db2.gz XNOPUGWJDVUCJD-UHFFFAOYSA-N 0 0 431.540 3.242 1 0 IGAFRN Brc1ccc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000040954439 563114487 /nfs/dbraw/zinc/11/44/87/563114487.db2.gz XYYCMFDGHSYCOP-UHFFFAOYSA-N 0 0 427.302 3.443 1 0 IGAFRN O=C1CC[C@](c2cccnc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040976167 563115414 /nfs/dbraw/zinc/11/54/14/563115414.db2.gz KNJCWXBUFYMYIS-JOCHJYFZSA-N 0 0 442.357 3.431 1 0 IGAFRN CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C1CCC1 ZINC000043075644 563118333 /nfs/dbraw/zinc/11/83/33/563118333.db2.gz JCPQDLBOIJXHGT-VWLOTQADSA-N 0 0 432.476 3.356 1 0 IGAFRN O=C(Nc1ccccc1)N1C[C@H](C(=O)N2CCOCC2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000043151101 563119088 /nfs/dbraw/zinc/11/90/88/563119088.db2.gz YLMYBTJRYYSEKF-WZONZLPQSA-N 0 0 442.519 3.499 1 0 IGAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 ZINC000043203219 563119552 /nfs/dbraw/zinc/11/95/52/563119552.db2.gz PPJCGPOASWRIPM-UHFFFAOYSA-N 0 0 443.573 3.234 1 0 IGAFRN CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000043203229 563119565 /nfs/dbraw/zinc/11/95/65/563119565.db2.gz MAAGUWONZDCLSO-SFHVURJKSA-N 0 0 437.584 3.451 1 0 IGAFRN O[C@@H](CNc1ccnc(Nc2cccc(OCCCN3CCOCC3)c2)n1)c1ccccc1 ZINC000045194019 563124151 /nfs/dbraw/zinc/12/41/51/563124151.db2.gz JQCBGQWPNZZHPN-QHCPKHFHSA-N 0 0 449.555 3.467 1 0 IGAFRN CC1(C)C[C@@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2ccccc2O1 ZINC000045285000 563128095 /nfs/dbraw/zinc/12/80/95/563128095.db2.gz GOJFZGPPJFXDMX-OAQYLSRUSA-N 0 0 429.498 3.444 1 0 IGAFRN CCOc1ccc(Cc2cc([C@@H]3O[C@H](OC(C)C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 ZINC000045322216 563130488 /nfs/dbraw/zinc/13/04/88/563130488.db2.gz UTJMJMFVPBQKQV-VROINQGHSA-N 0 0 436.932 3.235 1 0 IGAFRN COc1cc([C@H]2c3cc4c(cc3NC3=COC(=O)C32)OC(F)(F)O4)cc(OC)c1OC ZINC000045496101 563134397 /nfs/dbraw/zinc/13/43/97/563134397.db2.gz ZTUGTPYWOVEFBG-KRWDZBQOSA-N 0 0 433.363 3.402 1 0 IGAFRN N=c1oc2ccccc2cc1C(=O)NCCCCNC(=O)c1cc2ccccc2oc1=N ZINC000049113013 563138504 /nfs/dbraw/zinc/13/85/04/563138504.db2.gz WPSRLOROCLRECF-UHFFFAOYSA-N 0 0 430.464 3.078 1 0 IGAFRN O=C(NCc1ccccc1)c1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 ZINC000061927319 563150198 /nfs/dbraw/zinc/15/01/98/563150198.db2.gz CJKPGLGBBUFMKZ-GOSISDBHSA-N 0 0 425.510 3.173 3 0 IGAFRN COc1ccc(NC(=O)[C@@]2(C)Cc3c(nccc3-c3cccc(C(N)=O)c3)O2)cc1OC ZINC000061931001 563150721 /nfs/dbraw/zinc/15/07/21/563150721.db2.gz RRSHRXQWPOIXFE-XMMPIXPASA-N 0 0 433.464 3.197 3 0 IGAFRN C[C@@H](OC(=O)c1nc[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000061958682 563151825 /nfs/dbraw/zinc/15/18/25/563151825.db2.gz JOLKYCVJYRIEKT-OAHLLOKOSA-N 0 0 428.489 3.021 3 0 IGAFRN CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1c1cccc(OC)c1 ZINC000061958818 563151917 /nfs/dbraw/zinc/15/19/17/563151917.db2.gz JHFHVJSSDYTSMS-OAQYLSRUSA-N 0 0 448.516 3.405 3 0 IGAFRN O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1 ZINC000062224959 563152149 /nfs/dbraw/zinc/15/21/49/563152149.db2.gz ZQEAQUSWNZXSRY-DEOSSOPVSA-N 0 0 431.423 3.309 1 0 IGAFRN Cc1cc(N2CCOCC2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4)cc[nH]c3=O)[nH]c21 ZINC000063539560 563152338 /nfs/dbraw/zinc/15/23/38/563152338.db2.gz WBQBMMMQJSJEJT-OAQYLSRUSA-N 0 0 445.523 3.209 1 0 IGAFRN COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)NCc1ccccc1 ZINC000066104686 563158754 /nfs/dbraw/zinc/15/87/54/563158754.db2.gz BRHUTKWCZVNDDX-FQEVSTJZSA-N 0 0 427.501 3.124 1 0 IGAFRN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN3Cc4ccccc4C3)cc2)cc1 ZINC000066136346 563159455 /nfs/dbraw/zinc/15/94/55/563159455.db2.gz BFWSMMGGCFSUAA-UHFFFAOYSA-N 0 0 449.576 3.219 1 0 IGAFRN O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000066252841 563160295 /nfs/dbraw/zinc/16/02/95/563160295.db2.gz ZQTLVPOHXPLGHV-IJLDSOGASA-N 0 0 441.018 3.345 1 0 IGAFRN CN1CCN(c2ccc3c(c2)C(=O)CCN3S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000066258812 563160358 /nfs/dbraw/zinc/16/03/58/563160358.db2.gz PGHNHVHDAUYQLJ-UHFFFAOYSA-N 0 0 435.549 3.373 1 0 IGAFRN CC(=O)Oc1cc(F)ccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 ZINC000072123112 563163975 /nfs/dbraw/zinc/16/39/75/563163975.db2.gz GUFZZSOUPUDNIF-UHFFFAOYSA-N 0 0 443.378 3.270 1 0 IGAFRN COc1cc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2cc1NC(=O)C1CC1 ZINC000072170892 563164952 /nfs/dbraw/zinc/16/49/52/563164952.db2.gz HDLOOANOTTYYFN-PMERELPUSA-N 0 0 428.514 3.248 1 0 IGAFRN COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@@H]2C ZINC000072180275 563166854 /nfs/dbraw/zinc/16/68/54/563166854.db2.gz CGCDOVOCJQXOOK-NVXFIYROSA-N 0 0 434.441 3.369 1 0 IGAFRN COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc43)cn2)c1 ZINC000073222443 563170706 /nfs/dbraw/zinc/17/07/06/563170706.db2.gz JGFZPZGREYNUPH-UHFFFAOYSA-N 0 0 435.440 3.283 1 0 IGAFRN O=C(c1cc(Br)cn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073311344 563172293 /nfs/dbraw/zinc/17/22/93/563172293.db2.gz CGLUZTJNYKGOLE-UHFFFAOYSA-N 0 0 449.299 3.376 1 0 IGAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccco3)C[C@@]12C ZINC000084619358 563174532 /nfs/dbraw/zinc/17/45/32/563174532.db2.gz BTVVVOJWIIFSJS-GRTRAUACSA-N 0 0 432.469 3.000 1 0 IGAFRN O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cscn1 ZINC000084671818 563175341 /nfs/dbraw/zinc/17/53/41/563175341.db2.gz VYEODKODWNEGOD-FQEVSTJZSA-N 0 0 431.521 3.233 1 0 IGAFRN COc1ccc(-c2csc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000084672427 563175581 /nfs/dbraw/zinc/17/55/81/563175581.db2.gz SLDWMTDVBWFVSC-CQSZACIVSA-N 0 0 431.539 3.433 1 0 IGAFRN O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 ZINC000084741822 563179195 /nfs/dbraw/zinc/17/91/95/563179195.db2.gz XKLNNOHPHCSGFK-SFHVURJKSA-N 0 0 446.320 3.210 1 0 IGAFRN O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000084742161 563179208 /nfs/dbraw/zinc/17/92/08/563179208.db2.gz VVPXQPXRGXWSCJ-SFHVURJKSA-N 0 0 435.421 3.467 1 0 IGAFRN COCCOc1cnc2ccn([C@H](C)c3nnc4ccc(-c5cc(C)no5)cn43)c(=O)c2c1 ZINC000088383729 563180483 /nfs/dbraw/zinc/18/04/83/563180483.db2.gz LWFDHDVAJJXJRU-OAHLLOKOSA-N 0 0 446.467 3.037 1 0 IGAFRN O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1Cc1ccc2c(c1)OCO2 ZINC000095568261 563183836 /nfs/dbraw/zinc/18/38/36/563183836.db2.gz KQPUPHIDMIVDLF-JOCHJYFZSA-N 0 0 425.448 3.196 3 0 IGAFRN CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1F)c1ccccc1O2 ZINC000095593160 563190656 /nfs/dbraw/zinc/19/06/56/563190656.db2.gz OYNLWCJBOGGUGG-UHFFFAOYSA-N 0 0 425.504 3.112 1 0 IGAFRN CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095599926 563192487 /nfs/dbraw/zinc/19/24/87/563192487.db2.gz GAWCIIFGUYQMEF-OAQYLSRUSA-N 0 0 431.544 3.498 3 0 IGAFRN COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C2(COc3ccccc3)OCCO2)[C@H](O)C[C@@H]1O ZINC000095786287 563194440 /nfs/dbraw/zinc/19/44/40/563194440.db2.gz HABBPJCMMSFYJB-RNNIOXLGSA-N 0 0 446.540 3.012 1 0 IGAFRN CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@H](C)O4)CC2)c(C)c1 ZINC000096274109 563197028 /nfs/dbraw/zinc/19/70/28/563197028.db2.gz NDPXSBJMMOJZHP-SFHVURJKSA-N 0 0 436.556 3.095 1 0 IGAFRN Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccc(F)cc4F)CC3)ccc2n1 ZINC000096928376 563198340 /nfs/dbraw/zinc/19/83/40/563198340.db2.gz FINJJLMSVLCESC-UHFFFAOYSA-N 0 0 446.552 3.413 1 0 IGAFRN C[C@H](CC[C@H](O)[C@H](C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000040164356 571755481 /nfs/dbraw/zinc/75/54/81/571755481.db2.gz UBCPEZWGUOSYHO-JRENHPOKSA-N 0 0 438.649 3.106 1 0 endogenous,in-man IGAFRN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]34)C2O)cc1 ZINC000020480042 518345645 /nfs/dbraw/zinc/34/56/45/518345645.db2.gz SBHPYWUIZUXOQZ-DOIPELPJSA-N 0 0 436.895 3.378 1 0 IGAFRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000012465988 524340838 /nfs/dbraw/zinc/34/08/38/524340838.db2.gz FCMYNNFNLZEDLH-QOEFQVSFSA-N 0 0 436.560 3.132 3 0 IGAFRN CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc1 ZINC000001329728 562921310 /nfs/dbraw/zinc/92/13/10/562921310.db2.gz DIJBSYDYBGOZNS-UHFFFAOYSA-N 0 0 433.511 3.482 3 0 IGAFRN O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)Nc1nccs1 ZINC000002925519 562930635 /nfs/dbraw/zinc/93/06/35/562930635.db2.gz BTPZSOOVGRQVOQ-UHFFFAOYSA-N 0 0 443.535 3.029 3 0 IGAFRN CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1 ZINC000002971204 562931394 /nfs/dbraw/zinc/93/13/94/562931394.db2.gz AMFRKAFQIJKJSF-MRXNPFEDSA-N 0 0 439.537 3.245 3 0 IGAFRN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F ZINC000003031264 562931916 /nfs/dbraw/zinc/93/19/16/562931916.db2.gz PAKRXMRMKALTON-UHFFFAOYSA-N 0 0 448.516 3.222 3 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000003596706 562936756 /nfs/dbraw/zinc/93/67/56/562936756.db2.gz ZHKOLIRMRROCEX-RKMYSURESA-N 0 0 442.364 3.186 1 0 IGAFRN Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)cn1)c1cc(C)cc(C)c1 ZINC000006578091 562947984 /nfs/dbraw/zinc/94/79/84/562947984.db2.gz DUIMGTGBWZMHBB-UHFFFAOYSA-N 0 0 428.514 3.446 3 0 IGAFRN Cc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1 ZINC000008670444 562960622 /nfs/dbraw/zinc/96/06/22/562960622.db2.gz VGGZDCXGAKWTFG-UHFFFAOYSA-N 0 0 437.565 3.331 3 0 IGAFRN COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccc4c(c2)OCCO4)C3)nc1 ZINC000011971359 562980012 /nfs/dbraw/zinc/98/00/12/562980012.db2.gz WKMNXRZITJLVGC-GOSISDBHSA-N 0 0 446.459 3.040 1 0 IGAFRN COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2 ZINC000011974381 562980053 /nfs/dbraw/zinc/98/00/53/562980053.db2.gz QPASGHGWKRYROQ-OAQYLSRUSA-N 0 0 426.488 3.388 1 0 IGAFRN CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CCCO ZINC000013118547 562984595 /nfs/dbraw/zinc/98/45/95/562984595.db2.gz UIKKXOQTYWGZBS-RLSLOFABSA-N 0 0 439.508 3.481 3 0 IGAFRN C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478810 562989238 /nfs/dbraw/zinc/98/92/38/562989238.db2.gz XGZARNPQDIWNCE-FNMOCFJKSA-N 0 0 440.544 3.121 3 0 IGAFRN Cc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)cc1 ZINC000013489906 562990041 /nfs/dbraw/zinc/99/00/41/562990041.db2.gz RWYRRHYQCAZVOQ-OAQYLSRUSA-N 0 0 435.505 3.441 1 0 IGAFRN CN1CCN(c2nc(NCCc3ccc(O)cc3)nc(N[C@H]3CCc4ccccc43)n2)CC1 ZINC000013492559 562990729 /nfs/dbraw/zinc/99/07/29/562990729.db2.gz MAUFRWSTBICIPT-QFIPXVFZSA-N 0 0 445.571 3.083 1 0 IGAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cccc2c1OCC2 ZINC000013559416 562993920 /nfs/dbraw/zinc/99/39/20/562993920.db2.gz KYNOZIAMNFYFPB-UHFFFAOYSA-N 0 0 436.512 3.418 1 0 IGAFRN COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)c(CO)c2)cc1 ZINC000013588997 562996176 /nfs/dbraw/zinc/99/61/76/562996176.db2.gz GVPMWHQIUGWDCS-UHFFFAOYSA-N 0 0 426.416 3.463 1 0 IGAFRN COc1cc(OC)c(OC)cc1C[S@](=O)c1ncccc1C(=O)Nc1ccncc1 ZINC000013605314 562997184 /nfs/dbraw/zinc/99/71/84/562997184.db2.gz QYPWHSRHSWAEJL-SSEXGKCCSA-N 0 0 427.482 3.063 1 0 IGAFRN COc1cc(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)cc(OC)c1OC ZINC000013605316 562997198 /nfs/dbraw/zinc/99/71/98/562997198.db2.gz JEUHOARGAQARDY-PMERELPUSA-N 0 0 427.482 3.063 1 0 IGAFRN CC(C)[C@@H](NC(=O)CN1CCc2c3cc(Cl)ccc3[nH]c2C1=O)C(=O)C(F)(F)F ZINC000013740120 563003014 /nfs/dbraw/zinc/00/30/14/563003014.db2.gz LQDUUYPWLMAYCF-OAHLLOKOSA-N 0 0 429.826 3.092 1 0 IGAFRN O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000013778925 563006006 /nfs/dbraw/zinc/00/60/06/563006006.db2.gz OHUFIHMDXGKUEF-RUZDIDTESA-N 0 0 446.938 3.329 1 0 IGAFRN NC(=O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000013782662 563006882 /nfs/dbraw/zinc/00/68/82/563006882.db2.gz LEKZXRMIXMQSLA-UBFVSLLYSA-N 0 0 443.547 3.284 1 0 IGAFRN COC(=O)[C@@H]1[C@@H](C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1 ZINC000013816366 563009452 /nfs/dbraw/zinc/00/94/52/563009452.db2.gz AHKBLVRZDVXQIO-LPTQZCDUSA-N 0 0 442.512 3.199 1 0 IGAFRN O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000013831757 563011203 /nfs/dbraw/zinc/01/12/03/563011203.db2.gz FCAHXJUFTOBKKG-JOCHJYFZSA-N 0 0 432.432 3.068 1 0 IGAFRN CCn1c2nc(NC3CCCCC3)n(Cc3ccc(OC)cc3)c2c(=O)n(CC)c1=O ZINC000013860280 563012459 /nfs/dbraw/zinc/01/24/59/563012459.db2.gz ROXCRDRYLLNCAS-UHFFFAOYSA-N 0 0 425.533 3.201 1 0 IGAFRN C[C@H]([NH2+]CCc1cc(Cl)c(N(C)CC(=O)[O-])c(Cl)c1)[C@H](O)c1ccc(O)cc1 ZINC000013862639 563013093 /nfs/dbraw/zinc/01/30/93/563013093.db2.gz OJEJPISOZCCDJR-YUNKPMOVSA-N 0 0 427.328 3.474 1 0 IGAFRN CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc(OC[C@H](O)C(C)(C)O)c1O ZINC000014721443 563014951 /nfs/dbraw/zinc/01/49/51/563014951.db2.gz AXMCRMUBMNEKLN-NRFANRHFSA-N 0 0 442.508 3.469 1 0 in-vivo IGAFRN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC[C@@H]2CC[NH2+]C2)ccc2c1CCCC2 ZINC000014964516 563016309 /nfs/dbraw/zinc/01/63/09/563016309.db2.gz PIJOZYSVYHUJFP-OAHLLOKOSA-N 0 0 429.542 3.086 1 0 IGAFRN CCc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1 ZINC000015890126 563018257 /nfs/dbraw/zinc/01/82/57/563018257.db2.gz XTYUWWSWPUECKP-JOCHJYFZSA-N 0 0 443.569 3.100 3 0 IGAFRN O=C(CN(Cc1ccccc1Cl)C(=O)CN1C(=O)CSc2ccccc21)NC1CC1 ZINC000015935474 563018595 /nfs/dbraw/zinc/01/85/95/563018595.db2.gz WWCUUXNWTSGRRB-UHFFFAOYSA-N 0 0 443.956 3.086 3 0 IGAFRN O=C(c1ccco1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000015987579 563020672 /nfs/dbraw/zinc/02/06/72/563020672.db2.gz SWBFGZWURRBTLQ-UHFFFAOYSA-N 0 0 438.875 3.241 1 0 IGAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@H]1Sc1ccccc1)c1cccnc1 ZINC000026153201 563029060 /nfs/dbraw/zinc/02/90/60/563029060.db2.gz GMYBUCVGSASGRX-SQJMNOBHSA-N 0 0 445.544 3.343 1 0 IGAFRN Fc1ccc([C@@H]2C[C@H](N3CCN(CCN4CCNC4=S)CC3)c3ccc(F)cc32)cc1 ZINC000026661367 563035018 /nfs/dbraw/zinc/03/50/18/563035018.db2.gz AVOSQJJHXGCJIZ-GMAHTHKFSA-N 0 0 442.579 3.349 1 0 IGAFRN CCN(CC)C(=O)CNc1nc2cc3nc(NCC(=O)N(CC)CC)sc3cc2s1 ZINC000027181880 563040284 /nfs/dbraw/zinc/04/02/84/563040284.db2.gz JMQOYVSOPFSUOK-UHFFFAOYSA-N 0 0 448.618 3.467 1 0 IGAFRN [NH3+][C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1c1ccc(F)cc1 ZINC000027414702 563041983 /nfs/dbraw/zinc/04/19/83/563041983.db2.gz CBKGLSWJJCVAAM-CRAIPNDOSA-N 0 0 443.425 3.383 1 0 IGAFRN C[NH2+]C1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2Cl)C1 ZINC000027419333 563042008 /nfs/dbraw/zinc/04/20/08/563042008.db2.gz CXEQJIYVDWZCAG-UHFFFAOYSA-N 0 0 437.805 3.168 1 0 IGAFRN COc1ccc(COCC(=O)N2C(=O)C[C@H]3[C@H](C(=O)OCc4ccccc4)CC[C@@H]32)cc1 ZINC000027517854 563042510 /nfs/dbraw/zinc/04/25/10/563042510.db2.gz LRJSPTKYYNPJBG-FSSWDIPSSA-N 0 0 437.492 3.109 1 0 IGAFRN O=C1C[C@]2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(I)cc1 ZINC000027521567 563042758 /nfs/dbraw/zinc/04/27/58/563042758.db2.gz KPZHFXOQELUYNP-GOSISDBHSA-N 0 0 432.217 3.029 1 0 IGAFRN COc1ccc(-c2oc(=O)oc2COC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000027550928 563043475 /nfs/dbraw/zinc/04/34/75/563043475.db2.gz LTKYIMJMPTZADB-UHFFFAOYSA-N 0 0 429.425 3.395 1 0 IGAFRN CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000027988073 563048886 /nfs/dbraw/zinc/04/88/86/563048886.db2.gz HCFNBXFYJLTRRQ-FQEVSTJZSA-N 0 0 438.524 3.277 1 0 IGAFRN CC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 ZINC000028396495 563054719 /nfs/dbraw/zinc/05/47/19/563054719.db2.gz QQUUAWAFTCCWOQ-CQSZACIVSA-N 0 0 435.933 3.220 1 0 IGAFRN NC(=O)COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1CCO ZINC000028522510 563056096 /nfs/dbraw/zinc/05/60/96/563056096.db2.gz OQLSJBBYCHHIHN-UHFFFAOYSA-N 0 0 440.805 3.266 1 0 IGAFRN CCc1c2c(nc3ccc(OC)c(CC)c31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000028523330 563056287 /nfs/dbraw/zinc/05/62/87/563056287.db2.gz MQERRPJFJUJIPK-VWLOTQADSA-N 0 0 434.492 3.213 1 0 IGAFRN CS(=O)(=O)N1CCN(C(=O)CCCc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000028704791 563061907 /nfs/dbraw/zinc/06/19/07/563061907.db2.gz KUWAXWWYVHCBSB-UHFFFAOYSA-N 0 0 439.581 3.116 1 0 IGAFRN CCCCCc1ccc(CCc2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 ZINC000028710404 563062453 /nfs/dbraw/zinc/06/24/53/563062453.db2.gz GJTGSCGUUMMBPJ-BHDDXSALSA-N 0 0 426.513 3.148 1 0 IGAFRN COc1ccc(OC)c(-c2nnc3n2ccc2nnc(-c4cc(OC)ccc4OC)n23)c1 ZINC000028712773 563062946 /nfs/dbraw/zinc/06/29/46/563062946.db2.gz YUSBQJZAOIILIK-UHFFFAOYSA-N 0 0 432.440 3.140 1 0 IGAFRN O=C([C@H](O)c1ccc(Br)cc1)N1CCC(Nc2ccc3n[nH]cc3c2)CC1 ZINC000028891704 563068366 /nfs/dbraw/zinc/06/83/66/563068366.db2.gz NQYWUAZXGFMIIN-LJQANCHMSA-N 0 0 429.318 3.462 3 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(F)c2F)O1 ZINC000028974491 563071299 /nfs/dbraw/zinc/07/12/99/563071299.db2.gz ZETKNYMMYZRTLX-CAMPQQCRSA-N 0 0 425.332 3.032 1 0 IGAFRN CNC(=O)c1cc(F)cc(Cl)c1NC(=O)c1cc(F)nn1-c1ncccc1Cl ZINC000029058796 563073589 /nfs/dbraw/zinc/07/35/89/563073589.db2.gz GKHIVGMWLNWAMK-UHFFFAOYSA-N 0 0 426.210 3.464 1 0 IGAFRN CCOC(=O)N1CCN(Cc2c(OC(=O)c3ccccc3)ccc3ccc(=O)oc32)CC1 ZINC000029062644 563073794 /nfs/dbraw/zinc/07/37/94/563073794.db2.gz YPFCFSCZBQFZJF-UHFFFAOYSA-N 0 0 436.464 3.286 1 0 IGAFRN CCOC(=O)Cn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c(C(C)=O)c1=O ZINC000029207179 563076528 /nfs/dbraw/zinc/07/65/28/563076528.db2.gz LIWLAQUHOZBLAX-UHFFFAOYSA-N 0 0 436.464 3.360 1 0 IGAFRN CC[C@H]1C[C@H]([NH3+])CN1c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2-c1ccc(F)cc1F ZINC000029343455 563078562 /nfs/dbraw/zinc/07/85/62/563078562.db2.gz NZJZXOWDPBJBAM-STQMWFEESA-N 0 0 431.414 3.422 1 0 IGAFRN CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC(O)CC3)c2)CC1 ZINC000029563855 563082494 /nfs/dbraw/zinc/08/24/94/563082494.db2.gz QOPODAWBTQRJNF-UHFFFAOYSA-N 0 0 437.584 3.393 1 0 IGAFRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]cn1)OCc1ccccc1 ZINC000029567711 563082698 /nfs/dbraw/zinc/08/26/98/563082698.db2.gz JTDSRZGLMVOLMU-QFIPXVFZSA-N 0 0 431.496 3.087 1 0 IGAFRN COc1cccc2c1CC[C@@H]1C[N@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@@H]21 ZINC000034800976 563087318 /nfs/dbraw/zinc/08/73/18/563087318.db2.gz WIRHRVAPDHCAEN-DNVCBOLYSA-N 0 0 430.508 3.254 1 0 IGAFRN COc1c(N2CC[C@@H](C3([NH3+])CC3)C2)c(F)cc2c(=O)c3c([O-])nsc3n(C3CC3)c21 ZINC000034894597 563088548 /nfs/dbraw/zinc/08/85/48/563088548.db2.gz FUIWHAOIPKPCER-SNVBAGLBSA-N 0 0 430.505 3.117 1 0 IGAFRN CN1[C@H]2c3nc4ccccc4n3C[C@@H]2C[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000036378228 563093526 /nfs/dbraw/zinc/09/35/26/563093526.db2.gz UMLIEVFDAPIGBA-ZOCIIQOWSA-N 0 0 425.330 3.490 3 0 IGAFRN O=C(NCc1ccc(F)cc1)N1CCN2[C@H](C1)C(=O)OC2(c1ccccc1)c1ccccc1 ZINC000036381389 563093782 /nfs/dbraw/zinc/09/37/82/563093782.db2.gz OFXXHUFGFRCOAG-HSZRJFAPSA-N 0 0 445.494 3.480 1 0 IGAFRN CC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)OCc3ccccc3)[C@H]2SC1 ZINC000036382884 563094103 /nfs/dbraw/zinc/09/41/03/563094103.db2.gz XZDSRXAOIKCNFP-WIYYLYMNSA-N 0 0 438.505 3.214 1 0 IGAFRN C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389047 563094959 /nfs/dbraw/zinc/09/49/59/563094959.db2.gz HZRVIHWEIRSQNK-FJDRFRCWSA-N 0 0 432.520 3.142 3 0 IGAFRN COc1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn32)cc1 ZINC000038429303 563097757 /nfs/dbraw/zinc/09/77/57/563097757.db2.gz FLXGGVDRCLMNRL-UHFFFAOYSA-N 0 0 448.483 3.210 1 0 IGAFRN Cc1cccc(Nc2cc(Nc3cccc(C(=O)N(C[C@@H](C)O)C[C@@H](C)O)c3)ncn2)c1 ZINC000039301228 563099101 /nfs/dbraw/zinc/09/91/01/563099101.db2.gz TTWPSDZABVQRLN-QZTJIDSGSA-N 0 0 435.528 3.476 1 0 IGAFRN CC(C)C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000040496671 563104189 /nfs/dbraw/zinc/10/41/89/563104189.db2.gz ZJIYBGKZXVSZLP-CJBZWRPGSA-N 0 0 430.541 3.197 1 0 IGAFRN COC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)CC1 ZINC000040567281 563105059 /nfs/dbraw/zinc/10/50/59/563105059.db2.gz HHMZQGOPOAEEIQ-UHFFFAOYSA-N 0 0 433.508 3.452 1 0 IGAFRN CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2n1 ZINC000040836021 563107255 /nfs/dbraw/zinc/10/72/55/563107255.db2.gz MUOUONDZFUZNIO-UHFFFAOYSA-N 0 0 426.329 3.309 1 0 IGAFRN CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000040863680 563108545 /nfs/dbraw/zinc/10/85/45/563108545.db2.gz FNFHABHFPJXUKG-UHFFFAOYSA-N 0 0 432.468 3.499 1 0 IGAFRN COC(=O)CC[C@@H](Sc1ccc(Cl)cc1)N1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O ZINC000040877877 563109582 /nfs/dbraw/zinc/10/95/82/563109582.db2.gz HKGFXXLINRYCML-JKSUJKDBSA-N 0 0 448.994 3.145 1 0 IGAFRN CCCCCCNC(=O)N1CCN(c2ccc([C@@H]3CC(C(=O)OCC)=NO3)cc2)CC1 ZINC000040918140 563111736 /nfs/dbraw/zinc/11/17/36/563111736.db2.gz DTWPXGRRKNOTEO-NRFANRHFSA-N 0 0 430.549 3.479 1 0 IGAFRN Cc1cccnc1N1CC=C(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000042889368 563115986 /nfs/dbraw/zinc/11/59/86/563115986.db2.gz DYXUIRJHJRVUJH-UHFFFAOYSA-N 0 0 425.432 3.459 1 0 IGAFRN CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1 ZINC000043022213 563117299 /nfs/dbraw/zinc/11/72/99/563117299.db2.gz SXOCBLMNPZPKQA-UHFFFAOYSA-N 0 0 443.009 3.431 1 0 IGAFRN CNc1ccc2c(cccc2O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)n1 ZINC000045299117 563128988 /nfs/dbraw/zinc/12/89/88/563128988.db2.gz PZGGIQGQXRBYTL-MSOLQXFVSA-N 0 0 432.524 3.417 1 0 IGAFRN CCCn1ccc(-c2cc3nc(NC(=O)NCC)cn3c(-c3ncc(C)cn3)c2)cc1=O ZINC000045300972 563129175 /nfs/dbraw/zinc/12/91/75/563129175.db2.gz GYWZWAMVOFEQQF-UHFFFAOYSA-N 0 0 431.500 3.480 1 0 IGAFRN O=C(NC1CCCCC1)[C@@H]1O[C@@H]2O[C@H]1C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 ZINC000045370578 563133348 /nfs/dbraw/zinc/13/33/48/563133348.db2.gz HZPVKADHUDRRLO-NZCWTCFWSA-N 0 0 434.536 3.199 1 0 IGAFRN CC(C)N1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 ZINC000049049352 563136748 /nfs/dbraw/zinc/13/67/48/563136748.db2.gz QXJULKWSMKOTMF-UHFFFAOYSA-N 0 0 427.508 3.103 1 0 IGAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCc2ccco2)C1 ZINC000061921526 563149316 /nfs/dbraw/zinc/14/93/16/563149316.db2.gz OBFQXKDUGVDHIJ-HXUWFJFHSA-N 0 0 437.540 3.477 3 0 IGAFRN Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C[C@@H]3CCCO3)CC(=O)N12 ZINC000061949396 563151748 /nfs/dbraw/zinc/15/17/48/563151748.db2.gz WXQYKLZXXWGYIL-PMJJJCOKSA-N 0 0 446.547 3.451 3 0 IGAFRN COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(C)cccc4nc3OC)CC2)c1 ZINC000064447998 563153297 /nfs/dbraw/zinc/15/32/97/563153297.db2.gz LCQGNKSSQXHMTQ-UHFFFAOYSA-N 0 0 437.500 3.318 1 0 IGAFRN CCN1CC[C@@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn43)c3cccnc32)C1 ZINC000064532106 563154855 /nfs/dbraw/zinc/15/48/55/563154855.db2.gz HAEJRQCALNPDQI-GFCCVEGCSA-N 0 0 435.962 3.498 1 0 IGAFRN O=C(NCCc1ccccc1)NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O ZINC000064553136 563155808 /nfs/dbraw/zinc/15/58/08/563155808.db2.gz LNQMZJWIJKNPHF-XMMPIXPASA-N 0 0 428.536 3.357 1 0 IGAFRN Cc1cc(=O)oc2cc(OCCCCn3cncn3)cc(OCCCCn3cncn3)c12 ZINC000066066258 563157110 /nfs/dbraw/zinc/15/71/10/563157110.db2.gz IZUVDCWIMNHEJC-UHFFFAOYSA-N 0 0 438.488 3.003 1 0 IGAFRN C[C@H](NC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)Oc1cccc2ccccc21)C(N)=O ZINC000066077753 563157790 /nfs/dbraw/zinc/15/77/90/563157790.db2.gz MKCPETXCLVZVKX-SSOJOUAXSA-N 0 0 431.492 3.016 1 0 IGAFRN COc1ccc(CCNc2cc(-c3ccc(OC)c(-c4nn[nH]n4)c3)nc(OC)n2)cc1 ZINC000066102739 563158550 /nfs/dbraw/zinc/15/85/50/563158550.db2.gz XVKNAKDNRLOTHB-UHFFFAOYSA-N 0 0 433.472 3.004 1 0 IGAFRN CCN(C)c1nc2oc3c(ncnc3NCCN3CCOCC3)c2c2c1CCC(C)(C)C2 ZINC000072118269 563163710 /nfs/dbraw/zinc/16/37/10/563163710.db2.gz SDXDROLDNVOSMH-UHFFFAOYSA-N 0 0 438.576 3.486 1 0 IGAFRN COc1ccccc1C(=O)c1cnc(NC2CCN(c3nc4ccccc4[nH]3)CC2)nc1N ZINC000072175514 563165438 /nfs/dbraw/zinc/16/54/38/563165438.db2.gz ABTBBCOJRBCDEH-UHFFFAOYSA-N 0 0 443.511 3.256 1 0 IGAFRN CN(CCO)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2N(C(=O)Nc2ccccc2)C1 ZINC000072177125 563165928 /nfs/dbraw/zinc/16/59/28/563165928.db2.gz YIHFFXWGJWZDBZ-VGOFRKELSA-N 0 0 430.508 3.091 1 0 IGAFRN CC1(C)C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000073158780 563169291 /nfs/dbraw/zinc/16/92/91/563169291.db2.gz MEIBAUIZWBBTLF-TZMCWYRMSA-N 0 0 442.887 3.095 1 0 IGAFRN CCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3ccccn3)CC2)cc1 ZINC000073164552 563169604 /nfs/dbraw/zinc/16/96/04/563169604.db2.gz FDLRWQBJULJDBB-RUZDIDTESA-N 0 0 429.568 3.476 1 0 IGAFRN CC(C)(C)c1nc2cc(S(=O)(=O)c3nccs3)ccc2n1CC1CCN(C=O)CC1 ZINC000082154678 563173515 /nfs/dbraw/zinc/17/35/15/563173515.db2.gz XLOZYEAFPMDCKC-UHFFFAOYSA-N 0 0 446.598 3.492 1 0 IGAFRN CC(C)Cn1c2nn(Cc3cccc4ccccc43)c(-c3cncn3C)c2c(=O)n(C)c1=O ZINC000084703921 563176580 /nfs/dbraw/zinc/17/65/80/563176580.db2.gz QJBUEINIMXZUED-UHFFFAOYSA-N 0 0 442.523 3.155 1 0 in-vitro IGAFRN COc1cc2c(c(OC)c1OC)-c1c(OC(C)=O)c(OC)cc3c1[C@H](CC2)N(C)CC3=O ZINC000084759169 563179717 /nfs/dbraw/zinc/17/97/17/563179717.db2.gz YBBKENRVEVDKSZ-HNNXBMFYSA-N 0 0 441.480 3.429 1 0 IGAFRN CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)N(C)c1cn[nH]c1)CC2 ZINC000095560144 563182126 /nfs/dbraw/zinc/18/21/26/563182126.db2.gz HUDAVWQNVFDFNL-UHFFFAOYSA-N 0 0 427.896 3.317 1 0 IGAFRN O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1ccc2c(c1)OCO2 ZINC000095568260 563183833 /nfs/dbraw/zinc/18/38/33/563183833.db2.gz KQPUPHIDMIVDLF-QFIPXVFZSA-N 0 0 425.448 3.196 3 0 IGAFRN CCCCn1nnnc1[C@H](CCSC)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095569142 563184020 /nfs/dbraw/zinc/18/40/20/563184020.db2.gz GFBCNOSXCBJKJM-IBGZPJMESA-N 0 0 429.594 3.248 3 0 IGAFRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1Cl ZINC000095569803 563184260 /nfs/dbraw/zinc/18/42/60/563184260.db2.gz DANYLUIZWSMRND-QZTJIDSGSA-N 0 0 435.952 3.347 3 0 IGAFRN COc1cccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)c1 ZINC000095573447 563185172 /nfs/dbraw/zinc/18/51/72/563185172.db2.gz FNDPMIBXFWHKDO-GFCCVEGCSA-N 0 0 438.875 3.210 1 0 IGAFRN Cc1nc2ccccc2nc1CCc1nc(C(=O)NC[C@@H]2CCCO2)cc(N2CCCC2)n1 ZINC000095574512 563185372 /nfs/dbraw/zinc/18/53/72/563185372.db2.gz PMHFGEMRSKIZLB-SFHVURJKSA-N 0 0 446.555 3.022 1 0 IGAFRN CS(=O)(=O)Nc1ccc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000095578579 563186795 /nfs/dbraw/zinc/18/67/95/563186795.db2.gz ITSZZMLQGVSIID-UHFFFAOYSA-N 0 0 439.537 3.203 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095595304 563191327 /nfs/dbraw/zinc/19/13/27/563191327.db2.gz VHKZPGOVNGOHPJ-HXOBKFHXSA-N 0 0 431.460 3.205 1 0 IGAFRN COC(=O)C1=Cc2cc(OC)c(O)c(C)c2[C@@H](c2cc(C)c(O)c(OC)c2)[C@@H]1C(=O)OC ZINC000095596469 563191540 /nfs/dbraw/zinc/19/15/40/563191540.db2.gz NFFPQJYCUCSKKY-WOJBJXKFSA-N 0 0 442.464 3.223 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597901 563191976 /nfs/dbraw/zinc/19/19/76/563191976.db2.gz OLSAKKGEDBWFLQ-UUOWRZLLSA-N 0 0 443.496 3.074 1 0 IGAFRN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2Cc2ccccc2)c1 ZINC000095602066 563193030 /nfs/dbraw/zinc/19/30/30/563193030.db2.gz IAVUQTKKYVDCPM-HSZRJFAPSA-N 0 0 441.491 3.484 3 0 IGAFRN COc1ccnc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1OC ZINC000096173129 563195753 /nfs/dbraw/zinc/19/57/53/563195753.db2.gz BTWNHCWHTULPOK-UHFFFAOYSA-N 0 0 447.539 3.451 1 0 IGAFRN CCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c(Cl)c1 ZINC000096274118 563197082 /nfs/dbraw/zinc/19/70/82/563197082.db2.gz XHOOZNDNKCPJEE-OAHLLOKOSA-N 0 0 442.947 3.131 1 0 IGAFRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000096928405 563198399 /nfs/dbraw/zinc/19/83/99/563198399.db2.gz KYJJDAUGSGPDLY-FBHQFGEZSA-N 0 0 432.545 3.415 1 0 IGAFRN COC(=O)[C@@H](CC(C)C)NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O ZINC000096937320 563199581 /nfs/dbraw/zinc/19/95/81/563199581.db2.gz DPOMXCLYYYPVPV-GAVDFCLNSA-N 0 0 447.528 3.353 1 0 IGAFRN CC(=O)O[C@@H]1[C@@H](OC(C)=O)C23CCC(CC2)C[C@H]3[C@@]23CCC[C@@](C)(C(=O)N4CCO[C@H]42)[C@@H]13 ZINC000095918723 291353152 /nfs/dbraw/zinc/35/31/52/291353152.db2.gz GZHPXFIYJDGMKK-AVTDQFBOSA-N 0 0 445.556 3.051 1 0 biogenic,in-vitro IGAFRN CC(=O)O[C@H]1C[C@@]2(O)C(C)(C)CC[C@H](OC(C)=O)[C@]2(C)[C@H]2Cc3occc3[C@](C)(O)[C@H]12 ZINC000035819273 291353614 /nfs/dbraw/zinc/35/36/14/291353614.db2.gz ZUOSXOQNJTXIGG-XWVCWXBLSA-N 0 0 434.529 3.100 1 0 biogenic,in-vitro IGAFRN COc1ccc([C@@H](O)[C@@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2COC(C)=O)cc1OC ZINC000085861465 291358884 /nfs/dbraw/zinc/35/88/84/291358884.db2.gz NKLSPZQYPWFUIO-GRJZNYKUSA-N 0 0 446.496 3.321 1 0 biogenic,in-vitro IGAFRN COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 ZINC000014437774 291357572 /nfs/dbraw/zinc/35/75/72/291357572.db2.gz AIIBKXWZZGYRAR-JKSUJKDBSA-N 0 0 430.453 3.024 1 0 biogenic,in-vitro IGAFRN COc1ccccc1NC(=O)N1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000006550940 132277768 /nfs/dbraw/zinc/27/77/68/132277768.db2.gz KSBPXWHAVZFDEM-UHFFFAOYSA-N 0 0 429.484 3.154 3 0 IGAFRN Cc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(Br)cc1 ZINC000020757787 527117801 /nfs/dbraw/zinc/11/78/01/527117801.db2.gz OOLRUEZYLSFKPH-UHFFFAOYSA-N 0 0 443.345 3.158 1 0 IGAFRN O=C1c2ccccc2C(=O)N1CCCCCCNOCCCN1C(=O)c2ccccc2C1=O ZINC000001655136 562924033 /nfs/dbraw/zinc/92/40/33/562924033.db2.gz KIESEZKGVRGMIQ-UHFFFAOYSA-N 0 0 449.507 3.051 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000003637024 562937163 /nfs/dbraw/zinc/93/71/63/562937163.db2.gz YBHBUGPAORYSHF-RKMYSURESA-N 0 0 448.412 3.330 1 0 IGAFRN COCCCNC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000004001711 562940580 /nfs/dbraw/zinc/94/05/80/562940580.db2.gz AEJWTIXIUWUBKG-UHFFFAOYSA-N 0 0 431.558 3.162 3 0 IGAFRN COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000004409255 562943246 /nfs/dbraw/zinc/94/32/46/562943246.db2.gz BIXDQFABBIGPJJ-UHFFFAOYSA-N 0 0 442.516 3.111 3 0 IGAFRN CCOc1cc2[nH]c(=O)n(CCCCCC(=O)NC3CCCC3)c(=O)c2cc1OCC ZINC000004598158 562943408 /nfs/dbraw/zinc/94/34/08/562943408.db2.gz RYSKEPRMCJPRLN-UHFFFAOYSA-N 0 0 431.533 3.106 3 0 IGAFRN Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCc3cccc(F)c3)cc1CC2 ZINC000008588925 562950952 /nfs/dbraw/zinc/95/09/52/562950952.db2.gz HFRLPSJAYFFEOA-UHFFFAOYSA-N 0 0 436.487 3.242 1 0 IGAFRN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)NCc1ccccc1Cl ZINC000009226509 562968283 /nfs/dbraw/zinc/96/82/83/562968283.db2.gz CDZHDRCHMIIJEO-GFCCVEGCSA-N 0 0 438.958 3.110 3 0 IGAFRN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cc(C4CC4)n[nH]2)C3)cc1 ZINC000011784662 562979307 /nfs/dbraw/zinc/97/93/07/562979307.db2.gz GQTGUGPOPCCWCT-KRWDZBQOSA-N 0 0 437.521 3.091 1 0 IGAFRN O=C(Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1)Nc1ccccc1Cl ZINC000012373633 562981886 /nfs/dbraw/zinc/98/18/86/562981886.db2.gz ARYVJYMGFBMHIB-UHFFFAOYSA-N 0 0 446.939 3.371 3 0 IGAFRN COc1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc(OC)c1 ZINC000012479913 562982429 /nfs/dbraw/zinc/98/24/29/562982429.db2.gz DPCQJRAUURASGZ-UHFFFAOYSA-N 0 0 437.473 3.011 3 0 IGAFRN COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000012479548 562982443 /nfs/dbraw/zinc/98/24/43/562982443.db2.gz ZOPPAMAKZVWZFE-KBXCAEBGSA-N 0 0 426.469 3.370 3 0 IGAFRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1F ZINC000013086228 562984315 /nfs/dbraw/zinc/98/43/15/562984315.db2.gz JZOPEMBVMHINIY-IFXJQAMLSA-N 0 0 429.517 3.489 3 0 IGAFRN CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@H]2C[C@H](O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2 ZINC000013370531 562985816 /nfs/dbraw/zinc/98/58/16/562985816.db2.gz MVOORUCGKRDJFW-BNYPQSBLSA-N 0 0 441.524 3.315 1 0 IGAFRN COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(O)c1OC ZINC000013462837 562987686 /nfs/dbraw/zinc/98/76/86/562987686.db2.gz AEHBVQHJSNELOD-VHPWJVAPSA-N 0 0 432.469 3.376 1 0 IGAFRN COc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C ZINC000013559671 562993963 /nfs/dbraw/zinc/99/39/63/562993963.db2.gz GXENRQLSQOSEPS-UHFFFAOYSA-N 0 0 438.482 3.168 1 0 IGAFRN NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(Cl)c2)cc1CO ZINC000013589016 562996182 /nfs/dbraw/zinc/99/61/82/562996182.db2.gz IJECKDLUGKNGCI-UHFFFAOYSA-N 0 0 431.823 3.351 1 0 IGAFRN COc1cc(Sc2nc3c(nc(F)nc3N)n2CCOC(C)C)cc(OC)c1OC ZINC000013642795 562998574 /nfs/dbraw/zinc/99/85/74/562998574.db2.gz AGZMSVJTWWUSEQ-UHFFFAOYSA-N 0 0 437.497 3.150 1 0 IGAFRN CC[C@H](C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O ZINC000013744369 563003836 /nfs/dbraw/zinc/00/38/36/563003836.db2.gz YIRKXGOOGNYHGW-LBPRGKRZSA-N 0 0 447.900 3.042 1 0 IGAFRN S=C(NCc1ccccc1I)N1CCC(c2c[nH]cn2)CC1 ZINC000013808001 563008773 /nfs/dbraw/zinc/00/87/73/563008773.db2.gz CBJFSWZYUGFYDG-UHFFFAOYSA-N 0 0 426.327 3.268 1 0 IGAFRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCC[C@@H](C)C3)cc2c1 ZINC000013831848 563011237 /nfs/dbraw/zinc/01/12/37/563011237.db2.gz LZHNMKDOHFOONY-ZHRRBRCNSA-N 0 0 448.527 3.376 3 0 IGAFRN COc1cc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000013831774 563011244 /nfs/dbraw/zinc/01/12/44/563011244.db2.gz BQXZYRKURCQDOT-HSZRJFAPSA-N 0 0 448.475 3.357 1 0 IGAFRN COc1cc2c(c(OC)c1OC)C[C@H]1COC(=O)[C@@H]1Cc1c-2cc(OC)c(OC)c1OC ZINC000014715076 563014958 /nfs/dbraw/zinc/01/49/58/563014958.db2.gz ZSPMNJCSHBZQPT-QWHCGFSZSA-N 0 0 444.480 3.293 1 0 IGAFRN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC[C@H]2CCC[NH2+]C2)ccc2c1CCCC2 ZINC000014964512 563016257 /nfs/dbraw/zinc/01/62/57/563016257.db2.gz AFWKDAQYJRMYRM-INIZCTEOSA-N 0 0 443.569 3.476 1 0 IGAFRN Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCN1CCOCC1 ZINC000014974515 563016802 /nfs/dbraw/zinc/01/68/02/563016802.db2.gz DKJQJJXMNYJZFE-UHFFFAOYSA-N 0 0 447.977 3.155 1 0 IGAFRN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)NCc1ccccc1Cl ZINC000015942840 563019778 /nfs/dbraw/zinc/01/97/78/563019778.db2.gz CDZHDRCHMIIJEO-LBPRGKRZSA-N 0 0 438.958 3.110 3 0 IGAFRN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1 ZINC000020414681 563024752 /nfs/dbraw/zinc/02/47/52/563024752.db2.gz VSACCLAPFNSVAW-UHFFFAOYSA-N 0 0 429.520 3.334 3 0 aggregator IGAFRN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 ZINC000022907227 563025716 /nfs/dbraw/zinc/02/57/16/563025716.db2.gz SALAGFVAPQTVLN-HXUWFJFHSA-N 0 0 442.537 3.375 3 0 IGAFRN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000023844931 563027313 /nfs/dbraw/zinc/02/73/13/563027313.db2.gz WNAYAUDXSNOUKQ-UHFFFAOYSA-N 0 0 445.545 3.037 3 0 IGAFRN CCOc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000026025899 563028713 /nfs/dbraw/zinc/02/87/13/563028713.db2.gz DOXWWHJSAFYKMP-UHFFFAOYSA-N 0 0 430.265 3.351 1 0 IGAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@@H]1Sc1ccccc1)c1cccnc1 ZINC000026153208 563029017 /nfs/dbraw/zinc/02/90/17/563029017.db2.gz GMYBUCVGSASGRX-OFVILXPXSA-N 0 0 445.544 3.343 1 0 IGAFRN CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1 ZINC000026175348 563029411 /nfs/dbraw/zinc/02/94/11/563029411.db2.gz MYTYZMBNMDOGRW-DEOSSOPVSA-N 0 0 447.583 3.384 1 0 IGAFRN CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(N)c1 ZINC000026652908 563034685 /nfs/dbraw/zinc/03/46/85/563034685.db2.gz YNQUJYRDYTVQDN-INIZCTEOSA-N 0 0 430.313 3.081 1 0 IGAFRN O=C(CSC(=O)c1ccccc1)NCCCCNC(=O)CSC(=O)c1ccccc1 ZINC000026668757 563035277 /nfs/dbraw/zinc/03/52/77/563035277.db2.gz BRHDKLIIRVUIOM-UHFFFAOYSA-N 0 0 444.578 3.146 1 0 IGAFRN CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H](C)Cc1ccccc1 ZINC000027097591 563039589 /nfs/dbraw/zinc/03/95/89/563039589.db2.gz PWUXNAGOBAFCRC-GIVPXCGWSA-N 0 0 446.588 3.203 1 0 IGAFRN c1ccc(CCCNc2ncnc3nc(-c4ccc(N5CCOCC5)nc4)cnc32)cc1 ZINC000028363858 563053625 /nfs/dbraw/zinc/05/36/25/563053625.db2.gz ACYKCDNEHYDFTF-UHFFFAOYSA-N 0 0 427.512 3.363 1 0 IGAFRN CC(=O)Nc1ccc(Sc2ccc(N3C[C@H](CNC(N)=S)OC3=O)cc2F)cc1 ZINC000028378746 563053953 /nfs/dbraw/zinc/05/39/53/563053953.db2.gz QLXYDWZQDJCWAK-AWEZNQCLSA-N 0 0 434.518 3.094 1 0 IGAFRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1C(=O)C[C@@H]1C(=O)OCc1ccccc1 ZINC000028522152 563056002 /nfs/dbraw/zinc/05/60/02/563056002.db2.gz HVVIMLFNXVLHDO-ISKFKSNPSA-N 0 0 428.488 3.388 1 0 IGAFRN CONC(=O)c1cc2c(nc(-n3cnc4ccncc43)nc2N[C@@H](C)c2ccccc2)n1C ZINC000028822403 563065673 /nfs/dbraw/zinc/06/56/73/563065673.db2.gz VKQLWIKRVRNIRP-AWEZNQCLSA-N 0 0 442.483 3.167 1 0 IGAFRN CC(C)CCn1c2ccc(CO)cc2nc1Cn1c2ccccc2c(=O)n(C2CC2)c1=O ZINC000028824465 563066022 /nfs/dbraw/zinc/06/60/22/563066022.db2.gz SMDLCYQVAWVMEZ-UHFFFAOYSA-N 0 0 432.524 3.435 1 0 IGAFRN CCOC(=O)Cn1c(=O)c2ccccc2n(Cc2nc3ccccc3n2CCC(C)C)c1=O ZINC000028824499 563066121 /nfs/dbraw/zinc/06/61/21/563066121.db2.gz AVEVYAQKNHAVGN-UHFFFAOYSA-N 0 0 448.523 3.170 1 0 IGAFRN CCCN(C(=O)CCCCC[NH3+])C1=C(C)C[C@@H](c2ccccc2)N(CCC(=O)[O-])C1=O ZINC000028869398 563067341 /nfs/dbraw/zinc/06/73/41/563067341.db2.gz MJSZJOKVUNPGJV-FQEVSTJZSA-N 0 0 429.561 3.466 1 0 IGAFRN CCn1nccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000028890916 563068361 /nfs/dbraw/zinc/06/83/61/563068361.db2.gz VOFLUAZLQQRZGH-UHFFFAOYSA-N 0 0 446.960 3.377 1 0 IGAFRN CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccccc1 ZINC000028895027 563068729 /nfs/dbraw/zinc/06/87/29/563068729.db2.gz NRABXXLHOILLKP-MJGOQNOKSA-N 0 0 443.931 3.327 1 0 IGAFRN NC(=O)COCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 ZINC000028901046 563069071 /nfs/dbraw/zinc/06/90/71/563069071.db2.gz MEHRBVQTOVMMDP-UHFFFAOYSA-N 0 0 445.458 3.012 1 0 IGAFRN Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000029038109 563071669 /nfs/dbraw/zinc/07/16/69/563071669.db2.gz JJZMAUGBAQWGNV-IFMALSPDSA-N 0 0 447.645 3.362 1 0 IGAFRN Cc1csc2c1ncnc2N[C@@H](C)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000029126936 563074714 /nfs/dbraw/zinc/07/47/14/563074714.db2.gz RVGLLHXKXVRALG-KRWDZBQOSA-N 0 0 445.614 3.115 1 0 IGAFRN CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)CC1 ZINC000029564718 563082505 /nfs/dbraw/zinc/08/25/05/563082505.db2.gz QIJBSROVPILMNU-HSZRJFAPSA-N 0 0 437.584 3.393 1 0 IGAFRN C[NH2+]C[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)C1 ZINC000032016803 563084013 /nfs/dbraw/zinc/08/40/13/563084013.db2.gz SOZLABVDYGGOQU-GFCCVEGCSA-N 0 0 431.414 3.152 1 0 IGAFRN CC(C)c1cc2c(cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 ZINC000032052314 563084089 /nfs/dbraw/zinc/08/40/89/563084089.db2.gz HFPIAZZCXLZSFQ-SKJUYKHBSA-N 0 0 448.600 3.019 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1cccc2c1Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@H]1O ZINC000034298759 563086044 /nfs/dbraw/zinc/08/60/44/563086044.db2.gz MCRUVGPFTZPESY-HKARXFIJSA-N 0 0 441.553 3.263 1 0 IGAFRN CC(=O)Nc1cccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)c1 ZINC000036351913 563093457 /nfs/dbraw/zinc/09/34/57/563093457.db2.gz QNCNYSGUYPUZKJ-UHFFFAOYSA-N 0 0 437.471 3.285 1 0 IGAFRN CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 ZINC000038269432 563097332 /nfs/dbraw/zinc/09/73/32/563097332.db2.gz NCJMWOVOUKBBEF-UHFFFAOYSA-N 0 0 449.477 3.378 1 0 IGAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2Cn2ccnn2)c1 ZINC000038840322 563098409 /nfs/dbraw/zinc/09/84/09/563098409.db2.gz LUMIEDNZBIIKIA-UHFFFAOYSA-N 0 0 436.253 3.337 1 0 IGAFRN COc1ccc(-c2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(N)n2)cc1 ZINC000040380411 563099721 /nfs/dbraw/zinc/09/97/21/563099721.db2.gz XDQVTBSIZQXSNX-UHFFFAOYSA-N 0 0 432.480 3.483 1 0 IGAFRN C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(=O)N3CCOCC3)cc2)S1)c1ccc(F)cc1 ZINC000040393716 563100294 /nfs/dbraw/zinc/10/02/94/563100294.db2.gz HSWRSJVMGAZCAR-WNSKOXEYSA-N 0 0 441.528 3.494 1 0 IGAFRN NS(=O)(=O)c1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1 ZINC000040404875 563101200 /nfs/dbraw/zinc/10/12/00/563101200.db2.gz WFGRPLSXXZOQQY-UHFFFAOYSA-N 0 0 442.504 3.320 1 0 IGAFRN COc1cccc(Cn2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1 ZINC000040423012 563102468 /nfs/dbraw/zinc/10/24/68/563102468.db2.gz SWMYSPAKTVHYON-UHFFFAOYSA-N 0 0 431.496 3.281 1 0 IGAFRN COC(=O)c1cc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc2n1-c1ccccn1 ZINC000040764023 563106505 /nfs/dbraw/zinc/10/65/05/563106505.db2.gz JPZHVTDTKHKWBU-UHFFFAOYSA-N 0 0 435.440 3.372 1 0 IGAFRN COc1ccc(-c2nc3ccc(NCc4ccccc4)nc3n(CCNC(C)=O)c2=O)cc1 ZINC000040954513 563114486 /nfs/dbraw/zinc/11/44/86/563114486.db2.gz RIXRJRRWRHENQZ-UHFFFAOYSA-N 0 0 443.507 3.215 1 0 IGAFRN CCOC(=O)[C@@H](C)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n21 ZINC000040957128 563114832 /nfs/dbraw/zinc/11/48/32/563114832.db2.gz QXABQLDOIDLDGI-HNNXBMFYSA-N 0 0 440.548 3.494 1 0 IGAFRN COc1cccc(-n2c(=O)n(Cc3c(F)cccc3OC)c3cnc(NC4CC4)nc32)c1 ZINC000045496368 563134410 /nfs/dbraw/zinc/13/44/10/563134410.db2.gz QCPZDWSHEPNHDV-UHFFFAOYSA-N 0 0 435.459 3.361 1 0 IGAFRN NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccc(F)cc1F ZINC000045497857 563134638 /nfs/dbraw/zinc/13/46/38/563134638.db2.gz YOFVIRHWXDICMQ-UHFFFAOYSA-N 0 0 440.454 3.046 1 0 IGAFRN C[C@@H](O)C/C=C/C=C/C=C/C(=O)O[C@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033470 563135945 /nfs/dbraw/zinc/13/59/45/563135945.db2.gz ZHQUHDHFPDBIHU-LMNIHNIZSA-N 0 0 430.541 3.398 1 0 IGAFRN O=C([O-])C[NH2+]Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 ZINC000049068052 563137491 /nfs/dbraw/zinc/13/74/91/563137491.db2.gz NLYCMXZJKOZPRH-UHFFFAOYSA-N 0 0 437.544 3.452 1 0 IGAFRN CC(C)c1ccc(CN2CCN(Cc3cc(C(C)C)ccc(O)c3=O)CC2)c(=O)c(O)c1 ZINC000049088927 563138039 /nfs/dbraw/zinc/13/80/39/563138039.db2.gz YBQUUSDEWWPZGD-UHFFFAOYSA-N 0 0 438.568 3.383 1 0 IGAFRN Nc1nccc(-c2ccc3nc([C@@H]4COc5c(CC(=O)NC6CC6)cccc5C4)[nH]c3c2)n1 ZINC000049113084 563138509 /nfs/dbraw/zinc/13/85/09/563138509.db2.gz QESAMTXGZKKXSR-KRWDZBQOSA-N 0 0 440.507 3.142 1 0 IGAFRN CN(Cc1cccnc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21 ZINC000053230633 563141412 /nfs/dbraw/zinc/14/14/12/563141412.db2.gz ITMNONAOENDKLR-UHFFFAOYSA-N 0 0 436.522 3.203 1 0 IGAFRN COc1cc(Cc2csc3nc(N)nc(N)c23)c(Br)c(OC)c1OC ZINC000058540874 563144175 /nfs/dbraw/zinc/14/41/75/563144175.db2.gz XWYGYHMBCPTCHL-UHFFFAOYSA-N 0 0 425.308 3.235 1 0 IGAFRN Cn1c(=O)oc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000058581162 563144965 /nfs/dbraw/zinc/14/49/65/563144965.db2.gz AFUYMLYRCYBSPO-UHFFFAOYSA-N 0 0 437.399 3.407 1 0 IGAFRN COc1ccc(NC(=O)[C@@]2(C)Cc3c(nccc3-c3ccc(C(N)=O)cc3)O2)cc1OC ZINC000061906842 563148634 /nfs/dbraw/zinc/14/86/34/563148634.db2.gz ZSIXRCSJNSYKLF-XMMPIXPASA-N 0 0 433.464 3.197 3 0 IGAFRN O=C(NCc1ccccc1)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 ZINC000061927321 563150199 /nfs/dbraw/zinc/15/01/99/563150199.db2.gz CJKPGLGBBUFMKZ-SFHVURJKSA-N 0 0 425.510 3.173 3 0 IGAFRN c1ccc(CNc2ncnc3c2nc2n3Cc3ccccc3N2CCN2CCOCC2)cc1 ZINC000066058773 563156906 /nfs/dbraw/zinc/15/69/06/563156906.db2.gz IXKFOESKPKKDQK-UHFFFAOYSA-N 0 0 441.539 3.270 1 0 IGAFRN CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)[C@@H](O)CCS4)c(N)cc2c1=O ZINC000066111721 563158901 /nfs/dbraw/zinc/15/89/01/563158901.db2.gz ZVFXXWXJTMADKR-FQEVSTJZSA-N 0 0 441.553 3.057 1 0 IGAFRN COc1cc(C(CO)CO)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1 ZINC000072175834 563165495 /nfs/dbraw/zinc/16/54/95/563165495.db2.gz IYWMYJHOIKQQFA-UHFFFAOYSA-N 0 0 425.876 3.265 1 0 IGAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2cnc3ccccn32)n1 ZINC000072178208 563166207 /nfs/dbraw/zinc/16/62/07/563166207.db2.gz TVELTFUDLWTOQQ-UHFFFAOYSA-N 0 0 443.511 3.212 1 0 IGAFRN COc1ccc2c(c1)oc(N1CCN(C)CC1)c2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000072180593 563166960 /nfs/dbraw/zinc/16/69/60/563166960.db2.gz BEHRRRCMHAADPI-UHFFFAOYSA-N 0 0 440.496 3.450 1 0 IGAFRN COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000073159532 563169312 /nfs/dbraw/zinc/16/93/12/563169312.db2.gz FSYAPDMBYROULY-SFHVURJKSA-N 0 0 449.326 3.219 1 0 IGAFRN CCn1cc(-c2nc3ncc(Cl)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cn1 ZINC000095558408 563181804 /nfs/dbraw/zinc/18/18/04/563181804.db2.gz YFCKHDARMWUHOO-UHFFFAOYSA-N 0 0 426.912 3.113 1 0 IGAFRN O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1ccccc1OC(F)F ZINC000095561863 563182513 /nfs/dbraw/zinc/18/25/13/563182513.db2.gz ABPNWDCSONFZFL-UHFFFAOYSA-N 0 0 438.452 3.147 1 0 IGAFRN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095567184 563183771 /nfs/dbraw/zinc/18/37/71/563183771.db2.gz NFZDSULWUQFWND-HSZRJFAPSA-N 0 0 439.475 3.487 3 0 IGAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000095569423 563184085 /nfs/dbraw/zinc/18/40/85/563184085.db2.gz SWZDMDKPESMVOT-LJQANCHMSA-N 0 0 449.912 3.362 3 0 IGAFRN CC(C)C[C@@H]1COc2cccc(N3CCN(Cc4ccccc4F)CC3)c2S(=O)(=O)N1 ZINC000095571401 563184524 /nfs/dbraw/zinc/18/45/24/563184524.db2.gz VXNHKHXAWIGZIR-LJQANCHMSA-N 0 0 447.576 3.233 3 0 IGAFRN N=C1N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095578272 563186592 /nfs/dbraw/zinc/18/65/92/563186592.db2.gz ZPBOQODCXCRRAT-FAHLNCGFSA-N 0 0 441.915 3.492 1 0 IGAFRN CNc1nc(Nc2cc(Cl)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F ZINC000095579155 563186924 /nfs/dbraw/zinc/18/69/24/563186924.db2.gz XBDDUCQHWPYBCN-UHFFFAOYSA-N 0 0 445.829 3.415 1 0 IGAFRN NS(=O)(=O)c1ccc(Nc2nccc(-c3cccc(C(=O)N4CCCCC4)c3)n2)cc1 ZINC000095580584 563187382 /nfs/dbraw/zinc/18/73/82/563187382.db2.gz AMGRGTYETFMYTK-UHFFFAOYSA-N 0 0 437.525 3.161 1 0 in-vitro IGAFRN CCOC(=O)[C@@]1(C(=O)Nc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593135 563190651 /nfs/dbraw/zinc/19/06/51/563190651.db2.gz IFDZUAKZGYYTSV-SBUREZEXSA-N 0 0 429.469 3.397 1 0 IGAFRN CCC(=O)N1Cc2cc(C(=O)N(C)C)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000095601994 563193043 /nfs/dbraw/zinc/19/30/43/563193043.db2.gz YAJZZTSJZGKQMS-NRFANRHFSA-N 0 0 445.523 3.083 3 0 IGAFRN CC(C)Cc1ncc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1 ZINC000096167430 563195135 /nfs/dbraw/zinc/19/51/35/563195135.db2.gz ASYTUEZUJNGJTM-UHFFFAOYSA-N 0 0 429.488 3.257 1 0 IGAFRN O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NCCO)nc1 ZINC000096170169 563195511 /nfs/dbraw/zinc/19/55/11/563195511.db2.gz FIJXVKOKYPXWFF-UHFFFAOYSA-N 0 0 448.910 3.373 1 0 IGAFRN COc1cc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2cn1 ZINC000096283383 563197192 /nfs/dbraw/zinc/19/71/92/563197192.db2.gz CKSGXKWTIWDGQU-UHFFFAOYSA-N 0 0 447.539 3.156 1 0 IGAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](O)[C@](C)(O)[C@@H](C)C2 ZINC000070455337 291357732 /nfs/dbraw/zinc/35/77/32/291357732.db2.gz PJFZHXYACPYUQW-YHXQQEPPSA-N 0 0 432.469 3.093 1 0 biogenic,in-vitro IGAFRN O=C(c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009490074 132319252 /nfs/dbraw/zinc/31/92/52/132319252.db2.gz MWQZSEVCUHJSHP-XFDIAKHOSA-N 0 0 445.494 3.100 1 0 IGAFRN Cc1c(OCc2nnnn2C2CCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 ZINC000000604182 562918757 /nfs/dbraw/zinc/91/87/57/562918757.db2.gz XLHMEHJJNRTJMA-UHFFFAOYSA-N 0 0 425.489 3.009 1 0 IGAFRN OC[C@@H]1O[C@@H](n2cnc3c2nc(Nc2ccc(Cl)c(Cl)c2)nc3Cl)C[C@H]1O ZINC000001648699 562923784 /nfs/dbraw/zinc/92/37/84/562923784.db2.gz HEEANCXZTNZIAU-GRYCIOLGSA-N 0 0 430.679 3.171 1 0 IGAFRN CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc21 ZINC000002499066 562928231 /nfs/dbraw/zinc/92/82/31/562928231.db2.gz AWZGLWAKAAKKLY-BJKOFHAPSA-N 0 0 444.535 3.207 3 0 IGAFRN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000002929224 562930688 /nfs/dbraw/zinc/93/06/88/562930688.db2.gz CEIJHYFEIASGMY-LJQANCHMSA-N 0 0 447.944 3.325 3 0 aggregator IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641397 562937205 /nfs/dbraw/zinc/93/72/05/562937205.db2.gz VNNRNHSLBICHPY-PSXLHFKNSA-N 0 0 440.776 3.247 1 0 IGAFRN CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1C ZINC000003959377 562940101 /nfs/dbraw/zinc/94/01/01/562940101.db2.gz TWZLWAYQEBGYCY-LBPRGKRZSA-N 0 0 443.641 3.388 3 0 IGAFRN O=C([C@@H](NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000004057240 562941267 /nfs/dbraw/zinc/94/12/67/562941267.db2.gz PVZJYXXPEOJTDW-NRFANRHFSA-N 0 0 441.578 3.117 3 0 aggregator IGAFRN OC[C@@H]1O[C@@H](n2cnc3c2nc(Nc2ccc(Cl)c(Cl)c2)nc3Cl)C[C@@H]1O ZINC000005822702 562944879 /nfs/dbraw/zinc/94/48/79/562944879.db2.gz HEEANCXZTNZIAU-SDDRHHMPSA-N 0 0 430.679 3.171 1 0 IGAFRN CC(C)(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000005992953 562945581 /nfs/dbraw/zinc/94/55/81/562945581.db2.gz WZZNOPQMGHCWKR-LJQANCHMSA-N 0 0 425.510 3.469 1 0 IGAFRN Nc1nc2nc[nH]c2c(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1 ZINC000008553743 562949531 /nfs/dbraw/zinc/94/95/31/562949531.db2.gz QAZUBKHRVWTMMY-UHFFFAOYSA-N 0 0 430.472 3.082 1 0 IGAFRN CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595626 562953540 /nfs/dbraw/zinc/95/35/40/562953540.db2.gz FEHNOQGGRCVAMG-OAHLLOKOSA-N 0 0 430.555 3.293 1 0 IGAFRN COC(=O)C1=C(C)NC(=Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000008686869 562962903 /nfs/dbraw/zinc/96/29/03/562962903.db2.gz YRKTXSRZHPUTDL-CXUHLZMHSA-N 0 0 436.873 3.212 1 0 IGAFRN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211035 562968205 /nfs/dbraw/zinc/96/82/05/562968205.db2.gz SSCBORMSOZMLHE-IBGZPJMESA-N 0 0 448.571 3.484 3 0 IGAFRN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cc(C4CC4)n[nH]2)C3)cc1 ZINC000011784663 562979293 /nfs/dbraw/zinc/97/92/93/562979293.db2.gz GQTGUGPOPCCWCT-QGZVFWFLSA-N 0 0 437.521 3.091 1 0 IGAFRN Cc1oc(-c2ccccc2NC(=O)[C@H]2CCCO2)nc1CNC(=O)c1cc(C)nc(C)n1 ZINC000011975776 562980090 /nfs/dbraw/zinc/98/00/90/562980090.db2.gz YWKAIXSAUOHKNQ-HXUWFJFHSA-N 0 0 435.484 3.104 1 0 IGAFRN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000012078094 562980717 /nfs/dbraw/zinc/98/07/17/562980717.db2.gz KLVPHAWVMIHENL-IPLHWJFFSA-N 0 0 428.920 3.332 1 0 IGAFRN CCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 ZINC000012431288 562982100 /nfs/dbraw/zinc/98/21/00/562982100.db2.gz FWQDBPMNMGTDJR-VGOFRKELSA-N 0 0 425.591 3.157 3 0 IGAFRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1F ZINC000013086233 562984363 /nfs/dbraw/zinc/98/43/63/562984363.db2.gz JZOPEMBVMHINIY-AUUYWEPGSA-N 0 0 429.517 3.489 3 0 IGAFRN O=C(NCc1ccccc1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCCCCO)O1 ZINC000013118615 562984582 /nfs/dbraw/zinc/98/45/82/562984582.db2.gz ZNMXAZGJBVGHTM-WMZHIEFXSA-N 0 0 425.481 3.235 3 0 IGAFRN COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCO)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000013450612 562987301 /nfs/dbraw/zinc/98/73/01/562987301.db2.gz RRIYFTKUPXAPIO-OXJNMPFZSA-N 0 0 437.414 3.311 1 0 IGAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc([C@@H](C)O)cc2)cc1 ZINC000013473898 562988521 /nfs/dbraw/zinc/98/85/21/562988521.db2.gz ZTTCKFOYLDBWEE-VGSWGCGISA-N 0 0 427.545 3.121 1 0 IGAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000013489868 562990074 /nfs/dbraw/zinc/99/00/74/562990074.db2.gz KULPBFDLRQIQIE-FQEVSTJZSA-N 0 0 439.468 3.272 1 0 IGAFRN CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)/C=C/C=C/c3ccccc3)ccc2N1C ZINC000013493068 562990805 /nfs/dbraw/zinc/99/08/05/562990805.db2.gz FVAXDGYVTFLTOT-LYCQKIAQSA-N 0 0 433.552 3.389 1 0 IGAFRN O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000013606947 562997333 /nfs/dbraw/zinc/99/73/33/562997333.db2.gz CCCAZXHLWPASRC-QHHAFSJGSA-N 0 0 435.402 3.360 1 0 IGAFRN CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660453 562999558 /nfs/dbraw/zinc/99/95/58/562999558.db2.gz BHMSHEFNEMQWIK-XMMPIXPASA-N 0 0 437.471 3.376 3 0 IGAFRN CCCc1nc(C)n2nc(CO)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013737998 563002816 /nfs/dbraw/zinc/00/28/16/563002816.db2.gz FDZSLDFTMQSCSF-UHFFFAOYSA-N 0 0 440.511 3.315 1 0 IGAFRN COC(=O)N[C@H](CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 ZINC000013745805 563003902 /nfs/dbraw/zinc/00/39/02/563003902.db2.gz RZHINVKNFFUZOI-HXUWFJFHSA-N 0 0 435.528 3.466 1 0 IGAFRN COc1cccc2c1CC[C@H]1C[N@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@@H]21 ZINC000013807862 563008724 /nfs/dbraw/zinc/00/87/24/563008724.db2.gz WIRHRVAPDHCAEN-HNAYVOBHSA-N 0 0 430.508 3.254 1 0 IGAFRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO ZINC000013818725 563009728 /nfs/dbraw/zinc/00/97/28/563009728.db2.gz SWDBTDNRUQLZFB-HARLFGEKSA-N 0 0 440.540 3.007 1 0 IGAFRN CCn1c2nc(NC3CCCCC3)n(Cc3ccc(O)c(C)c3)c2c(=O)n(CC)c1=O ZINC000013860285 563012495 /nfs/dbraw/zinc/01/24/95/563012495.db2.gz GFSPCVMXCYDMNG-UHFFFAOYSA-N 0 0 425.533 3.206 1 0 IGAFRN CN(C[C@@H](C(=O)[O-])c1ccc2c(c1)OCC2)C(=O)CCCCc1ccc2c([nH+]1)NCCC2 ZINC000013860634 563012573 /nfs/dbraw/zinc/01/25/73/563012573.db2.gz CKABJNNBXOFZHJ-OAQYLSRUSA-N 0 0 437.540 3.414 1 0 IGAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@H](O)C[C@@H](c3ccccc3)[C@]1(c1ccc3c(c1)OCO3)O2 ZINC000014687678 563014802 /nfs/dbraw/zinc/01/48/02/563014802.db2.gz ZPHNJERYFDKEMS-LHVBDCGNSA-N 0 0 448.471 3.456 1 0 IGAFRN CCN(CC)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 ZINC000014947782 563015499 /nfs/dbraw/zinc/01/54/99/563015499.db2.gz RUKDLYKEQAGMLB-FKBYEOEOSA-N 0 0 429.511 3.342 1 0 IGAFRN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2 ZINC000020113315 563023705 /nfs/dbraw/zinc/02/37/05/563023705.db2.gz IOFRVZXIFBPQFM-UHFFFAOYSA-N 0 0 445.972 3.041 3 0 IGAFRN CC1CCN(c2c(=O)c(=O)c2NCC2CCC(C(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000020418533 563024784 /nfs/dbraw/zinc/02/47/84/563024784.db2.gz WHCQBQVWDIAFEV-UHFFFAOYSA-N 0 0 449.595 3.322 3 0 IGAFRN Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc32)c1 ZINC000021289208 563025324 /nfs/dbraw/zinc/02/53/24/563025324.db2.gz AKSMEOTWWFYYSQ-UHFFFAOYSA-N 0 0 444.337 3.060 1 0 IGAFRN O=C1NCCN1CCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026382154 563031424 /nfs/dbraw/zinc/03/14/24/563031424.db2.gz MYVPKBWFYFYMBK-FYYLOGMGSA-N 0 0 426.511 3.184 1 0 IGAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 ZINC000026987221 563038602 /nfs/dbraw/zinc/03/86/02/563038602.db2.gz BRPTXGUNXVNFHJ-KCYBFLPASA-N 0 0 432.557 3.146 1 0 IGAFRN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 ZINC000027527259 563043377 /nfs/dbraw/zinc/04/33/77/563043377.db2.gz QHUXMXULJOQNHV-QZTJIDSGSA-N 0 0 431.533 3.335 1 0 IGAFRN COc1cc2nc(N(C)CCCCCCNC(=O)c3ccco3)nc(N)c2cc1OC ZINC000027634448 563044822 /nfs/dbraw/zinc/04/48/22/563044822.db2.gz DWWWSHCYTJWMJU-UHFFFAOYSA-N 0 0 427.505 3.249 1 0 IGAFRN C[C@@H]1[C@H]([NH3+])CN1c1c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3F)c2c1Cl ZINC000028224258 563051835 /nfs/dbraw/zinc/05/18/35/563051835.db2.gz MGBPVANPCHUGII-XLKFXECMSA-N 0 0 437.805 3.295 1 0 IGAFRN CCOc1nc2c(n1Cc1ccc(O)c(Cl)c1)C(=O)N(CC)C1=N[C@@H]3CCC[C@@H]3N21 ZINC000028265307 563052447 /nfs/dbraw/zinc/05/24/47/563052447.db2.gz UAJQAVJNONLDIT-CABCVRRESA-N 0 0 429.908 3.262 1 0 IGAFRN O=C([O-])c1cn(C2CC2)c2c(F)c(N3CCO[C@@H](C[NH+]4CCCCC4)C3)c(F)cc2c1=O ZINC000028767124 563064223 /nfs/dbraw/zinc/06/42/23/563064223.db2.gz KDZTYCCPDHHCCV-HNNXBMFYSA-N 0 0 447.482 3.004 1 0 IGAFRN CCCNC(=O)C(CC)(CC)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000028822902 563065768 /nfs/dbraw/zinc/06/57/68/563065768.db2.gz GUJPHYMIQHZGDO-JOCHJYFZSA-N 0 0 448.567 3.275 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccc(F)cc2F)O1 ZINC000028974512 563071368 /nfs/dbraw/zinc/07/13/68/563071368.db2.gz VOCYHUBFCKNORO-MLNJSSBLSA-N 0 0 425.332 3.032 1 0 IGAFRN CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O ZINC000029478390 563080941 /nfs/dbraw/zinc/08/09/41/563080941.db2.gz MBXYNQQKHQJJGU-UHFFFAOYSA-N 0 0 443.554 3.460 1 0 IGAFRN COc1ccc(-c2cc(C(=O)N[C@@H]3CCCCNC3=O)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833523 563088168 /nfs/dbraw/zinc/08/81/68/563088168.db2.gz ZMKKHNFRFYVGBA-QGZVFWFLSA-N 0 0 435.528 3.101 1 0 IGAFRN CCOCCn1nc(CC)c2nc(N3CCC(CO)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000035934329 563090479 /nfs/dbraw/zinc/09/04/79/563090479.db2.gz YRVSFLWYKOXNHW-UHFFFAOYSA-N 0 0 439.564 3.081 1 0 IGAFRN O=C(NC1CCN(Cc2ccc3oc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000036351906 563093453 /nfs/dbraw/zinc/09/34/53/563093453.db2.gz GJAJZGZHVMOVON-UHFFFAOYSA-N 0 0 438.411 3.026 1 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]12C ZINC000036387203 563094530 /nfs/dbraw/zinc/09/45/30/563094530.db2.gz MUXCFTONBKZVSA-JYISGYRJSA-N 0 0 440.883 3.436 3 0 IGAFRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1nc[nH]c1C(N)=O ZINC000036388607 563094854 /nfs/dbraw/zinc/09/48/54/563094854.db2.gz SOXWFUFODIFODE-UHFFFAOYSA-N 0 0 431.374 3.340 3 0 IGAFRN Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@H]1CC[C@H](n3cnc4c3ncnc4N)O1)O2 ZINC000038146343 563096337 /nfs/dbraw/zinc/09/63/37/563096337.db2.gz KUVGHHLFOMVIIJ-NYCQYLMKSA-N 0 0 431.389 3.437 1 0 IGAFRN CNC(=O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1 ZINC000038157623 563096895 /nfs/dbraw/zinc/09/68/95/563096895.db2.gz QGXMBSXNWDTFRF-UHFFFAOYSA-N 0 0 438.841 3.316 1 0 IGAFRN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(C[C@@H](O)CO)c1cc2-c1ccccc1Cl ZINC000038800338 563098261 /nfs/dbraw/zinc/09/82/61/563098261.db2.gz UTNPHCAOJSTUCO-GFCCVEGCSA-N 0 0 436.851 3.057 1 0 IGAFRN CC(=O)O[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@@H](/C=C/c1ccccc1)OC(=O)[C@H](C)N(C)C ZINC000040430312 563103409 /nfs/dbraw/zinc/10/34/09/563103409.db2.gz RKQTYCPLLOBMNL-IHKKCCMMSA-N 0 0 444.572 3.368 1 0 IGAFRN O=C1NCc2c3c4ccccc4n(CCO)c3c3c(c21)-c1ccc(OCCO)cc1CC3 ZINC000040861741 563108225 /nfs/dbraw/zinc/10/82/25/563108225.db2.gz KMDXLYPMCPQPCS-UHFFFAOYSA-N 0 0 428.488 3.167 1 0 IGAFRN Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 ZINC000040893436 563110129 /nfs/dbraw/zinc/11/01/29/563110129.db2.gz KYLMGDPJMOYDEV-UHFFFAOYSA-N 0 0 448.385 3.085 1 0 IGAFRN COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3Sc4ccccc4[C@H]3N=C2C)CC1 ZINC000040943730 563113684 /nfs/dbraw/zinc/11/36/84/563113684.db2.gz YTUVCBHWXNZHCJ-DHIUTWEWSA-N 0 0 436.581 3.293 1 0 IGAFRN CONC(=O)c1ccc(C)c(Nc2cc(=O)n(C)c3c2cnn3-c2ccc(F)cc2F)c1 ZINC000042990033 563116373 /nfs/dbraw/zinc/11/63/73/563116373.db2.gz OXIJPONGRSEQAF-UHFFFAOYSA-N 0 0 439.422 3.346 1 0 IGAFRN CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C1CCCC1 ZINC000043012393 563116557 /nfs/dbraw/zinc/11/65/57/563116557.db2.gz PIQYAEAGBUUHCL-VWLOTQADSA-N 0 0 432.476 3.443 1 0 IGAFRN O=C(Nc1cccnc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 ZINC000045287892 563128587 /nfs/dbraw/zinc/12/85/87/563128587.db2.gz QDVKRHSEGADNGG-SFHVURJKSA-N 0 0 429.488 3.076 1 0 IGAFRN COc1ccc(C(=O)C(=O)N(C)C)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000045340106 563131998 /nfs/dbraw/zinc/13/19/98/563131998.db2.gz SHQCBIKUCPXMJJ-UHFFFAOYSA-N 0 0 426.488 3.200 1 0 IGAFRN CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 ZINC000045505864 563134836 /nfs/dbraw/zinc/13/48/36/563134836.db2.gz YNNKKFANJHWHGJ-ANULTFPQSA-N 0 0 439.641 3.194 1 0 IGAFRN COc1ccc(COc2ncc(Oc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 ZINC000049054959 563137162 /nfs/dbraw/zinc/13/71/62/563137162.db2.gz WJUXNUKCGGIWMS-UHFFFAOYSA-N 0 0 434.456 3.243 1 0 IGAFRN O=c1nc2n(CCC3CC3)nc(-c3ccc(Cl)c(Cl)c3)nc-2c(=O)n1CC1CC1 ZINC000049088198 563138052 /nfs/dbraw/zinc/13/80/52/563138052.db2.gz OSHRNSGCVBMTOL-UHFFFAOYSA-N 0 0 432.311 3.484 1 0 IGAFRN OC[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H](n2cnc3c2ncnc3NC2CCCC2)O1 ZINC000061896968 563147514 /nfs/dbraw/zinc/14/75/14/563147514.db2.gz FHTLEFJLLAXYKV-RBUKOAKNSA-N 0 0 442.951 3.226 3 0 IGAFRN C[C@@]12C(=O)NCC(=O)N1[C@@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061948810 563151675 /nfs/dbraw/zinc/15/16/75/563151675.db2.gz GGFZDRSPUZDLIA-MYKSZAICSA-N 0 0 427.298 3.013 3 0 IGAFRN Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C[C@H]3CCCO3)CC(=O)N12 ZINC000061949398 563151750 /nfs/dbraw/zinc/15/17/50/563151750.db2.gz WXQYKLZXXWGYIL-AOKXXDQWSA-N 0 0 446.547 3.451 3 0 IGAFRN CCOC(=O)C1=CN(Cc2cccc(-c3ccc(Cl)nc3)c2)S(=O)(=O)N(C)[C@@H]1C ZINC000061958942 563151996 /nfs/dbraw/zinc/15/19/96/563151996.db2.gz IIMAAARQCZIZOW-CQSZACIVSA-N 0 0 435.933 3.230 3 0 IGAFRN COc1ccc([C@H]2Oc3c(OC)c(Cl)c4ccc(=O)oc4c3O[C@@H]2CO)cc1OC ZINC000064448523 563153419 /nfs/dbraw/zinc/15/34/19/563153419.db2.gz LLYVZFICRTUAKA-RHSMWYFYSA-N 0 0 434.828 3.346 1 0 IGAFRN COc1cc(C(=O)c2ccc(-c3csc(N)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064553708 563155800 /nfs/dbraw/zinc/15/58/00/563155800.db2.gz OJZSPKKXYGZDRQ-UHFFFAOYSA-N 0 0 437.481 3.230 1 0 IGAFRN COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000072172266 563165083 /nfs/dbraw/zinc/16/50/83/563165083.db2.gz MMECQTDYKMGZFE-UHFFFAOYSA-N 0 0 441.959 3.403 1 0 IGAFRN COc1ccccc1C(=O)c1cnc(N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)nc1N ZINC000072176954 563165784 /nfs/dbraw/zinc/16/57/84/563165784.db2.gz UZLMGYNYOPOSLP-MRXNPFEDSA-N 0 0 432.484 3.017 1 0 IGAFRN Cc1nn2c(nc(C)cc2N2CCC(C(=O)N3CCOCC3)CC2)c1-c1ccc(C)cc1 ZINC000095559078 563181889 /nfs/dbraw/zinc/18/18/89/563181889.db2.gz FCLJLAPEEQIPHJ-UHFFFAOYSA-N 0 0 433.556 3.397 1 0 IGAFRN C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(F)(F)CC1 ZINC000095561106 563182339 /nfs/dbraw/zinc/18/23/39/563182339.db2.gz KUXSHWPWVWCPLO-SFHVURJKSA-N 0 0 437.487 3.012 1 0 IGAFRN COc1cc(OC)nc(NCCCn2c3ccc(S(C)(=O)=O)cc3c3c2CCCC3)n1 ZINC000095579642 563187086 /nfs/dbraw/zinc/18/70/86/563187086.db2.gz UJNQSDZDELYKRE-UHFFFAOYSA-N 0 0 444.557 3.233 1 0 IGAFRN Cc1cc(CCn2cc(-c3cccnc3)nc2Cn2c3cnccc3n(C3CC3)c2=O)no1 ZINC000095589167 563189573 /nfs/dbraw/zinc/18/95/73/563189573.db2.gz VFTBPZNHBMVOKD-UHFFFAOYSA-N 0 0 441.495 3.379 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCCc2ccccc2F)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593652 563190766 /nfs/dbraw/zinc/19/07/66/563190766.db2.gz RGEJLLUAOKLHFK-BXKMTCNYSA-N 0 0 445.487 3.247 1 0 IGAFRN Cc1cc(OCc2cnnn2-c2cccc(C(N)=O)c2)c(C)c2c1CC[C@@H]1[C@H]2OC(=O)[C@H]1C ZINC000095597618 563191902 /nfs/dbraw/zinc/19/19/02/563191902.db2.gz QZOFHBKDZBKLQS-MHALITNNSA-N 0 0 446.507 3.358 1 0 IGAFRN COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000095598516 563192155 /nfs/dbraw/zinc/19/21/55/563192155.db2.gz MSZOPBLHRJWRNK-OKILXGFUSA-N 0 0 448.570 3.399 1 0 IGAFRN CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095601596 563192865 /nfs/dbraw/zinc/19/28/65/563192865.db2.gz DGCHJBNVOPXUMH-NLFFAJNJSA-N 0 0 446.588 3.495 3 0 IGAFRN COc1ccc2[nH]c(=O)n([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1 ZINC000095602940 563193295 /nfs/dbraw/zinc/19/32/95/563193295.db2.gz DLYIWDJFWWUGFD-KRWDZBQOSA-N 0 0 428.514 3.305 1 0 IGAFRN Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1[C@H](CC1CC1)C(=O)Nc1nccs1 ZINC000095604388 563193740 /nfs/dbraw/zinc/19/37/40/563193740.db2.gz LANHGOMVJISQAO-QGZVFWFLSA-N 0 0 435.571 3.309 1 0 IGAFRN C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000095755337 563194441 /nfs/dbraw/zinc/19/44/41/563194441.db2.gz GJAXPTMOYHGQED-MRXNPFEDSA-N 0 0 442.539 3.088 1 0 IGAFRN CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 ZINC000096283396 563197184 /nfs/dbraw/zinc/19/71/84/563197184.db2.gz BEABMQUGYQOCDN-UHFFFAOYSA-N 0 0 446.555 3.189 1 0 IGAFRN CCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cc4c(C)n[nH]c4c(C)c3)CC1)C2 ZINC000096283398 563197189 /nfs/dbraw/zinc/19/71/89/563197189.db2.gz KZVSHOSTAJTYOA-UHFFFAOYSA-N 0 0 448.571 3.482 1 0 IGAFRN CC(=S)NCCCC[C@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccnc1 ZINC000096913415 563197801 /nfs/dbraw/zinc/19/78/01/563197801.db2.gz LNSXMZBPEBVNET-FQEVSTJZSA-N 0 0 430.549 3.384 1 0 IGAFRN C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(NC(C)=O)cc4)nc32)c1 ZINC000096933671 563199063 /nfs/dbraw/zinc/19/90/63/563199063.db2.gz JIJDVLXBQGQRQM-UHFFFAOYSA-N 0 0 441.451 3.002 1 0 IGAFRN C=CC(=O)Nc1c(OC)cc(O)c2c1ccn(-c1cccc(C(=O)N3CCCCC3)c1)c2=O ZINC000096938029 563199711 /nfs/dbraw/zinc/19/97/11/563199711.db2.gz WATSYYTVDIXSBK-UHFFFAOYSA-N 0 0 447.491 3.456 1 0 IGAFRN COc1cc([C@]2(OC)OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000014764649 291357528 /nfs/dbraw/zinc/35/75/28/291357528.db2.gz RQWOTJIYANUWKC-QQGMGGKWSA-N 0 0 430.453 3.274 1 0 biogenic,in-vitro IGAFRN O=c1c(O)c(-c2ccc(O)c(Cc3cccc(O)c3)c2)oc2cc([O-])cc(OCCO)c12 ZINC000085569426 291363939 /nfs/dbraw/zinc/36/39/39/291363939.db2.gz BNPIYPNFRULNBS-UHFFFAOYSA-N 0 0 436.416 3.244 1 0 biogenic,in-vitro IGAFRN O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 ZINC000004238557 132270974 /nfs/dbraw/zinc/27/09/74/132270974.db2.gz JLUUSKMNVVFFMQ-UHFFFAOYSA-N 0 0 431.471 3.072 1 0 IGAFRN O=C(Nc1ccc(F)cc1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 ZINC000008604488 132287073 /nfs/dbraw/zinc/28/70/73/132287073.db2.gz WOLSHNAIICIHSF-UHFFFAOYSA-N 0 0 435.438 3.424 3 0 IGAFRN Cc1c2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc2oc1C(=O)NCc1cccnc1 ZINC000002459688 562927999 /nfs/dbraw/zinc/92/79/99/562927999.db2.gz MQCPVKMVVLSFJW-HNNXBMFYSA-N 0 0 427.526 3.487 3 0 IGAFRN Cc1nc(NC(=O)COC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c(Cl)cc1Cl ZINC000002635020 562928916 /nfs/dbraw/zinc/92/89/16/562928916.db2.gz OHLNZCWBKREKPR-OAHLLOKOSA-N 0 0 428.272 3.226 3 0 IGAFRN CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)Cc3ccccc32)CC1 ZINC000003784753 562937773 /nfs/dbraw/zinc/93/77/73/562937773.db2.gz SSKYVFQDOKANDP-UHFFFAOYSA-N 0 0 449.551 3.027 1 0 IGAFRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3cccnc3)cc2c1 ZINC000006281518 562946608 /nfs/dbraw/zinc/94/66/08/562946608.db2.gz YXANOUPCQVZBNH-NRFANRHFSA-N 0 0 445.527 3.012 3 0 IGAFRN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C)cc3C)C(C)C)ccc21 ZINC000008595926 562953746 /nfs/dbraw/zinc/95/37/46/562953746.db2.gz ZIJIEKOMEIVLEQ-QFIPXVFZSA-N 0 0 443.569 3.154 1 0 IGAFRN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)cc1OC ZINC000008604800 562956409 /nfs/dbraw/zinc/95/64/09/562956409.db2.gz XUIRXAVILOMCOQ-QGZVFWFLSA-N 0 0 441.509 3.044 3 0 IGAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(c3cccs3)=NO2)cc1 ZINC000012355008 562981263 /nfs/dbraw/zinc/98/12/63/562981263.db2.gz RAFHHQTYCHDRHG-QGZVFWFLSA-N 0 0 427.507 3.194 1 0 IGAFRN Cc1ccccc1CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012836050 562983123 /nfs/dbraw/zinc/98/31/23/562983123.db2.gz UTOGLLIOCZBHPD-JOCHJYFZSA-N 0 0 434.584 3.300 3 0 IGAFRN COc1ccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086261 562984336 /nfs/dbraw/zinc/98/43/36/562984336.db2.gz DOERKPMWBFUAPN-JXFKEZNVSA-N 0 0 441.553 3.359 3 0 IGAFRN CC1(C)C=Cc2c3[nH]c4c(c3ccc2O1)C[C@@]12NC(=O)[C@]3(CCCN3C1=O)C[C@H]2C4(C)C ZINC000013373547 562985865 /nfs/dbraw/zinc/98/58/65/562985865.db2.gz YCWBTRJVYADFLQ-ATANMQQVSA-N 0 0 431.536 3.436 1 0 IGAFRN COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1C(=O)c1ccc(Br)cc1 ZINC000013472845 562988163 /nfs/dbraw/zinc/98/81/63/562988163.db2.gz XSQWVTBUWFYDOC-UHFFFAOYSA-N 0 0 436.283 3.282 1 0 IGAFRN CC/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478691 562989206 /nfs/dbraw/zinc/98/92/06/562989206.db2.gz FNMHNPKQIXJKQG-LFNAACOZSA-N 0 0 440.544 3.121 3 0 IGAFRN CCOC(=O)[C@@H]1CCCN(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)C1 ZINC000013530475 562992030 /nfs/dbraw/zinc/99/20/30/562992030.db2.gz WDVZHXZBFRYKPJ-QGZVFWFLSA-N 0 0 445.537 3.261 1 0 IGAFRN Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 ZINC000013570930 562994405 /nfs/dbraw/zinc/99/44/05/562994405.db2.gz LLVSRJMQBQEJSL-GOSISDBHSA-N 0 0 425.460 3.425 3 0 IGAFRN CC(=O)N1CCN(CCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1 ZINC000013588769 562996077 /nfs/dbraw/zinc/99/60/77/562996077.db2.gz PNAKABLUPFQYPX-UHFFFAOYSA-N 0 0 430.508 3.219 1 0 IGAFRN CN(CCc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013593601 562996578 /nfs/dbraw/zinc/99/65/78/562996578.db2.gz PUMSRLHTCSLMOQ-VWLOTQADSA-N 0 0 442.563 3.140 3 0 IGAFRN O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000013596796 562996656 /nfs/dbraw/zinc/99/66/56/562996656.db2.gz BSKMVQSJPKCQKE-GOSISDBHSA-N 0 0 436.468 3.001 3 0 IGAFRN O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013656793 562999394 /nfs/dbraw/zinc/99/93/94/562999394.db2.gz NPJFRYTYLZKOQH-QFBILLFUSA-N 0 0 429.435 3.067 3 0 IGAFRN Cn1cc2c(n1)nc(NC(=O)Nc1ccc3ccccc3n1)n1nc(-c3ccco3)nc21 ZINC000013683618 563001054 /nfs/dbraw/zinc/00/10/54/563001054.db2.gz GOHBLZKJZRMREF-UHFFFAOYSA-N 0 0 425.412 3.463 1 0 IGAFRN COc1cc2cc(CO)c(CO)c(-c3cc(NC(C)=O)c(OC)c(OC)c3)c2cc1OC ZINC000013756807 563004543 /nfs/dbraw/zinc/00/45/43/563004543.db2.gz QMORCHDFEGGWJD-UHFFFAOYSA-N 0 0 441.480 3.484 1 0 IGAFRN O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000013778926 563006025 /nfs/dbraw/zinc/00/60/25/563006025.db2.gz OHUFIHMDXGKUEF-VWLOTQADSA-N 0 0 446.938 3.329 1 0 IGAFRN O=C([O-])C[C@H](NC(=O)CCCCc1ccc2c([nH+]1)NCCC2)c1ccc2c(c1)OCO2 ZINC000013817629 563009558 /nfs/dbraw/zinc/00/95/58/563009558.db2.gz FZBGGWKHCWPGOF-SFHVURJKSA-N 0 0 425.485 3.213 1 0 IGAFRN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC[C@@H]2CCC[NH2+]C2)ccc2c1CCCC2 ZINC000014964508 563016264 /nfs/dbraw/zinc/01/62/64/563016264.db2.gz AFWKDAQYJRMYRM-MRXNPFEDSA-N 0 0 443.569 3.476 1 0 IGAFRN COc1ccc(NCCNC(=O)[C@H](Cc2cncs2)NC(=O)c2cccc(C)c2)cc1 ZINC000014971366 563016627 /nfs/dbraw/zinc/01/66/27/563016627.db2.gz WCIOVUCILURSAQ-NRFANRHFSA-N 0 0 438.553 3.030 1 0 IGAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N3C(=O)N(c4ccccc4)C(=O)[C@@]3(CC)[C@H]2C1=O ZINC000015936625 563018896 /nfs/dbraw/zinc/01/88/96/563018896.db2.gz KHYHLMAVGIEBNE-KYCQWFEFSA-N 0 0 431.492 3.288 3 0 IGAFRN CC(=O)Nc1ccc2nc(CN3CCN(Cc4ccc(F)cc4)[C@@H](CCO)C3)ccc2c1 ZINC000019771065 563022961 /nfs/dbraw/zinc/02/29/61/563022961.db2.gz LQXUYHLMQREKPR-DEOSSOPVSA-N 0 0 436.531 3.401 3 0 IGAFRN O=C(CN1CCN(Cc2ccccc2)CC1)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000022940148 563026794 /nfs/dbraw/zinc/02/67/94/563026794.db2.gz RJGGRENGKYTGDC-UHFFFAOYSA-N 0 0 427.508 3.130 1 0 IGAFRN CC[NH2+]C[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4ccccc4)c3c2F)C1 ZINC000025963207 563027595 /nfs/dbraw/zinc/02/75/95/563027595.db2.gz JFFJIAZEFCOBMB-CQSZACIVSA-N 0 0 427.451 3.403 1 0 IGAFRN CCCc1cc(S(C)(=O)=O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028253159 563052246 /nfs/dbraw/zinc/05/22/46/563052246.db2.gz FEJVNOVGFBLCRI-UHFFFAOYSA-N 0 0 449.536 3.100 1 0 IGAFRN O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC1(C2)OCCO1 ZINC000028342739 563052967 /nfs/dbraw/zinc/05/29/67/563052967.db2.gz GPCZCZODTWUJMC-UHFFFAOYSA-N 0 0 446.438 3.462 1 0 IGAFRN NN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4Cl)CC3)cc2)C(=O)O1 ZINC000028368415 563053665 /nfs/dbraw/zinc/05/36/65/563053665.db2.gz DSSFETWZEGHQFK-SFHVURJKSA-N 0 0 445.976 3.125 1 0 IGAFRN Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CCCNC(=O)c1ccncc1)CC2 ZINC000028570980 563059193 /nfs/dbraw/zinc/05/91/93/563059193.db2.gz QSXPWEPXOLMPJS-QGZVFWFLSA-N 0 0 440.544 3.059 1 0 IGAFRN CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@H]3CCCO3)cc2)cc1 ZINC000028570951 563059205 /nfs/dbraw/zinc/05/92/05/563059205.db2.gz QCUNVZVJTXUAPQ-GOSISDBHSA-N 0 0 439.541 3.175 1 0 IGAFRN O[C@H]1[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc3ccccc32)SC[C@H]1O ZINC000028656151 563061432 /nfs/dbraw/zinc/06/14/32/563061432.db2.gz SBJORAVUWWLBAK-IDHHARJASA-N 0 0 427.917 3.212 1 0 IGAFRN C[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1C(=O)NCc1ccccc1 ZINC000028824496 563066110 /nfs/dbraw/zinc/06/61/10/563066110.db2.gz SSCIWSPSOGTVBY-SFHVURJKSA-N 0 0 444.539 3.336 1 0 IGAFRN C[C@H](C(=O)NCCC(F)(F)F)C(=O)N[C@@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000028824917 563066159 /nfs/dbraw/zinc/06/61/59/563066159.db2.gz RNMFABUEABNDQC-FZKQIMNGSA-N 0 0 433.430 3.192 1 0 IGAFRN O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc2c1=O ZINC000028864421 563067165 /nfs/dbraw/zinc/06/71/65/563067165.db2.gz XNBXXJFGURNFNP-UHFFFAOYSA-N 0 0 435.568 3.032 1 0 IGAFRN CC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897070 563068843 /nfs/dbraw/zinc/06/88/43/563068843.db2.gz KWDPLAMGADHVLV-UHFFFAOYSA-N 0 0 430.489 3.453 1 0 IGAFRN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N(C)C)C1 ZINC000029044610 563072478 /nfs/dbraw/zinc/07/24/78/563072478.db2.gz ZCRJNMNWMYXWRH-OKILXGFUSA-N 0 0 438.366 3.374 1 0 IGAFRN CCOc1cc(N(C)C)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000029210619 563076628 /nfs/dbraw/zinc/07/66/28/563076628.db2.gz CRZLISBEGWWGET-SFHVURJKSA-N 0 0 431.964 3.436 1 0 IGAFRN Cc1ccc(NC(=O)C[C@H]2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1 ZINC000029323027 563077891 /nfs/dbraw/zinc/07/78/91/563077891.db2.gz HDFGVPGJSIBDOL-OAHLLOKOSA-N 0 0 428.286 3.277 1 0 IGAFRN C[NH+](C)C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1 ZINC000029337545 563078248 /nfs/dbraw/zinc/07/82/48/563078248.db2.gz WXJGLUVERIDFRA-UHFFFAOYSA-N 0 0 427.451 3.498 1 0 IGAFRN C[C@@H](n1cnc2cccc(Cl)c2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029558004 563082188 /nfs/dbraw/zinc/08/21/88/563082188.db2.gz ZNJIRGYJSYEIBA-MPBGBICISA-N 0 0 431.830 3.069 1 0 IGAFRN COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000032053325 563084093 /nfs/dbraw/zinc/08/40/93/563084093.db2.gz QZKQNQVSTSAEEP-RBUKOAKNSA-N 0 0 442.464 3.129 1 0 IGAFRN CC[C@H](C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000034817394 563087986 /nfs/dbraw/zinc/08/79/86/563087986.db2.gz HQCGBXMJQCNVDM-LIRRHRJNSA-N 0 0 425.510 3.469 1 0 IGAFRN C[NH2+][C@H](C)[C@H]1CCN(c2c(F)cc3c(=O)c4c([O-])nsc4n(C4CC4)c3c2OC)C1 ZINC000034946067 563088507 /nfs/dbraw/zinc/08/85/07/563088507.db2.gz SOJRULJEVFPUAA-MNOVXSKESA-N 0 0 432.521 3.234 1 0 IGAFRN CCOC(=O)[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000035049994 563089038 /nfs/dbraw/zinc/08/90/38/563089038.db2.gz YDOHGGDCAQRASN-LJQANCHMSA-N 0 0 428.441 3.129 1 0 IGAFRN COC(=O)c1ccc2c(c1)nc(COC(=O)CCC(=O)c1ccc(Cl)cc1)[nH]c2=O ZINC000036383265 563094223 /nfs/dbraw/zinc/09/42/23/563094223.db2.gz SOPWAIWKUHNEBU-UHFFFAOYSA-N 0 0 428.828 3.069 3 0 IGAFRN Cc1cccc(NC(=O)c2nc[nH]c2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000036387742 563094649 /nfs/dbraw/zinc/09/46/49/563094649.db2.gz XOENTYLVYGIGJM-UHFFFAOYSA-N 0 0 427.505 3.100 3 0 IGAFRN C[C@@H](NC(=O)c1[nH]cnc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000036388099 563094680 /nfs/dbraw/zinc/09/46/80/563094680.db2.gz NIADWPCRWUFGGP-OAHLLOKOSA-N 0 0 441.532 3.030 3 0 IGAFRN COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036388562 563094887 /nfs/dbraw/zinc/09/48/87/563094887.db2.gz ASRFTFPMLPWDII-MAUKXSAKSA-N 0 0 426.469 3.370 3 0 IGAFRN Cc1ccc(S(=O)(=O)n2c3ccccc3nc2CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000036474210 563095377 /nfs/dbraw/zinc/09/53/77/563095377.db2.gz PIVHLTZLZQGTGW-UHFFFAOYSA-N 0 0 445.500 3.420 1 0 IGAFRN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(C[C@H](O)CO)c1cc2-c1ccccc1Cl ZINC000038800337 563098256 /nfs/dbraw/zinc/09/82/56/563098256.db2.gz UTNPHCAOJSTUCO-LBPRGKRZSA-N 0 0 436.851 3.057 1 0 IGAFRN Cc1cccc(Nc2cc(Nc3cccc(C(=O)N(C[C@@H](C)O)C[C@H](C)O)c3)ncn2)c1 ZINC000039301229 563099077 /nfs/dbraw/zinc/09/90/77/563099077.db2.gz TTWPSDZABVQRLN-HDICACEKSA-N 0 0 435.528 3.476 1 0 IGAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cc4ccccc4cn3)CC1)C(=O)C2 ZINC000040392660 563099944 /nfs/dbraw/zinc/09/99/44/563099944.db2.gz AZQCPPQIWMOIQD-AUSIDOKSSA-N 0 0 427.570 3.082 1 0 IGAFRN COC(=O)c1ccc(C(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)cc1 ZINC000040409519 563101653 /nfs/dbraw/zinc/10/16/53/563101653.db2.gz SUJWYCOLCGNFBS-UHFFFAOYSA-N 0 0 439.431 3.072 1 0 IGAFRN CN1CCN(C(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)c(Cl)c2)CC1=O ZINC000040411711 563101797 /nfs/dbraw/zinc/10/17/97/563101797.db2.gz MGPUWOBDBGFEMR-MHZLTWQESA-N 0 0 425.337 3.215 1 0 IGAFRN COc1cc(OC)c([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NC(=S)N2)c(OC)c1 ZINC000040860219 563107921 /nfs/dbraw/zinc/10/79/21/563107921.db2.gz AFMDJYCRBPWVMS-OAHLLOKOSA-N 0 0 446.525 3.298 1 0 IGAFRN Nc1nccc(-c2ccc3nc([C@@H]4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1 ZINC000040860508 563107984 /nfs/dbraw/zinc/10/79/84/563107984.db2.gz VILQJQQODSKEFD-INIZCTEOSA-N 0 0 426.480 3.213 1 0 IGAFRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000040863658 563108441 /nfs/dbraw/zinc/10/84/41/563108441.db2.gz KFTJUHRBTZLHBL-RTWAWAEBSA-N 0 0 430.504 3.497 1 0 IGAFRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000040863656 563108455 /nfs/dbraw/zinc/10/84/55/563108455.db2.gz KFTJUHRBTZLHBL-NHCUHLMSSA-N 0 0 430.504 3.497 1 0 IGAFRN CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040865572 563108696 /nfs/dbraw/zinc/10/86/96/563108696.db2.gz OJUXFINYEZERFT-AWEZNQCLSA-N 0 0 427.448 3.041 1 0 IGAFRN COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000040866544 563108777 /nfs/dbraw/zinc/10/87/77/563108777.db2.gz PILVVZXXLLAZDK-UHFFFAOYSA-N 0 0 427.892 3.411 1 0 IGAFRN CNc1nc2sc(-c3cccc(CNC(=O)c4csnn4)c3)nc2c2c1ncn2C ZINC000040953235 563114299 /nfs/dbraw/zinc/11/42/99/563114299.db2.gz IXXYZROLDGZZKB-UHFFFAOYSA-N 0 0 436.526 3.068 1 0 IGAFRN CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccc(SCCCO[N+](=O)[O-])cc1 ZINC000043120088 563118730 /nfs/dbraw/zinc/11/87/30/563118730.db2.gz TYHZLUOVRXEUFS-UHFFFAOYSA-N 0 0 449.437 3.274 1 0 IGAFRN COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cc(C)no1 ZINC000043121565 563118916 /nfs/dbraw/zinc/11/89/16/563118916.db2.gz SWKHQPMKPBZJTB-QGZVFWFLSA-N 0 0 447.491 3.214 1 0 IGAFRN CS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(Cl)c1 ZINC000045254691 563127106 /nfs/dbraw/zinc/12/71/06/563127106.db2.gz XFGSFBYQEMRAIB-UHFFFAOYSA-N 0 0 436.839 3.400 1 0 IGAFRN COc1ccc(CNC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)cc1 ZINC000045302214 563129398 /nfs/dbraw/zinc/12/93/98/563129398.db2.gz HVCBCXSPANBHQW-IBGZPJMESA-N 0 0 436.491 3.446 1 0 IGAFRN CCOc1ccc(Cc2cc([C@@H]3O[C@@H](OC(C)C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 ZINC000045322213 563130455 /nfs/dbraw/zinc/13/04/55/563130455.db2.gz UTJMJMFVPBQKQV-MHMIHQHRSA-N 0 0 436.932 3.235 1 0 IGAFRN CS(=O)(=O)c1cc(Cl)ccc1CNC(=O)c1ccc(OCCC(F)(F)F)nc1 ZINC000045334414 563131057 /nfs/dbraw/zinc/13/10/57/563131057.db2.gz DFSLYOVSKBEQAQ-UHFFFAOYSA-N 0 0 436.839 3.400 1 0 IGAFRN O=C(NCCN1CCc2cc(F)ccc21)O[C@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000045506593 563134922 /nfs/dbraw/zinc/13/49/22/563134922.db2.gz GDNNTWIIBVVEBQ-JOCHJYFZSA-N 0 0 447.551 3.112 1 0 IGAFRN O=C(CCCCO[N+](=O)[O-])OCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000049115807 563138754 /nfs/dbraw/zinc/13/87/54/563138754.db2.gz PNBZBNLSOIJVIP-UHFFFAOYSA-N 0 0 429.381 3.424 1 0 IGAFRN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000059545794 563146649 /nfs/dbraw/zinc/14/66/49/563146649.db2.gz OCYYOYSOTPJCFP-IYPOZPNPSA-N 0 0 446.573 3.172 1 0 IGAFRN COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000061921785 563149297 /nfs/dbraw/zinc/14/92/97/563149297.db2.gz IOCKXHBSWWFCEO-WELBPKCISA-N 0 0 430.432 3.027 3 0 IGAFRN OC[C@@H]1CN(Cc2ccc(F)cc2)C[C@H](n2cnc3c2ncnc3Nc2ccccc2)O1 ZINC000061929762 563150532 /nfs/dbraw/zinc/15/05/32/563150532.db2.gz OJSGXQVAKDEIRY-VQTJNVASSA-N 0 0 434.475 3.101 3 0 IGAFRN CN1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(Br)c3)C[C@@H]21 ZINC000061943082 563150971 /nfs/dbraw/zinc/15/09/71/563150971.db2.gz AWTYIRSMAKOJGA-SNRMKQJTSA-N 0 0 437.359 3.447 3 0 IGAFRN COc1ccc2nc3n(c(=O)c2c1)-c1cc(C)ccc1C(=O)N[C@H]3Cc1ccc(O)cc1 ZINC000061949236 563151745 /nfs/dbraw/zinc/15/17/45/563151745.db2.gz SABLWLLMKISUKX-NRFANRHFSA-N 0 0 427.460 3.436 3 0 IGAFRN CNC(=O)c1cn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCOCC4)cc3)nc1-2 ZINC000064539351 563155090 /nfs/dbraw/zinc/15/50/90/563155090.db2.gz GAEVXFMNWONTEC-UHFFFAOYSA-N 0 0 446.555 3.256 1 0 IGAFRN CN1CCc2nc(C(=O)Nc3cccnc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000066066085 563156990 /nfs/dbraw/zinc/15/69/90/563156990.db2.gz VQKCQAUKCAASFZ-UHFFFAOYSA-N 0 0 447.973 3.423 1 0 IGAFRN Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl ZINC000066078246 563157758 /nfs/dbraw/zinc/15/77/58/563157758.db2.gz RJTCCTFJKGHFMD-UHFFFAOYSA-N 0 0 446.338 3.225 1 0 IGAFRN CC[C@@H](C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 ZINC000066111559 563158819 /nfs/dbraw/zinc/15/88/19/563158819.db2.gz UBCICOPKLTVUSO-AEFFLSMTSA-N 0 0 449.544 3.185 1 0 IGAFRN CCOP(=O)(CC/C=C/Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)OCC ZINC000066112700 563159104 /nfs/dbraw/zinc/15/91/04/563159104.db2.gz XCSFHTDOCFOSQM-JXMROGBWSA-N 0 0 434.429 3.219 1 0 IGAFRN Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCCN3Cc4ccccc4C3)cc2)c1 ZINC000066136262 563159444 /nfs/dbraw/zinc/15/94/44/563159444.db2.gz NZUAOVNQGWISMA-UHFFFAOYSA-N 0 0 449.576 3.219 1 0 IGAFRN COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1CN(C)C ZINC000066251157 563159841 /nfs/dbraw/zinc/15/98/41/563159841.db2.gz KKOWFHPMQTYJPN-UHFFFAOYSA-N 0 0 445.468 3.270 1 0 IGAFRN COc1cc(C(=O)Nc2cc(C)c(C)cc2NC(=O)COC(C)=O)cc(OC)c1OC ZINC000066259202 563160479 /nfs/dbraw/zinc/16/04/79/563160479.db2.gz FCWCEEMJEXZHOT-UHFFFAOYSA-N 0 0 430.457 3.083 1 0 IGAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)[C@@H]2O ZINC000071295057 563161621 /nfs/dbraw/zinc/16/16/21/563161621.db2.gz RGJPPASWKJBDTJ-XJSVZPCESA-N 0 0 432.469 3.469 1 0 in-vitro IGAFRN S=C(NCCc1ccccc1)N1Cc2cnnn2-c2cc(Br)ccc2C1 ZINC000072121998 563163898 /nfs/dbraw/zinc/16/38/98/563163898.db2.gz MEGBVEMRZRRDRV-UHFFFAOYSA-N 0 0 428.359 3.463 3 0 IGAFRN CC(=O)NN1C(=S)N=NC1Cc1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000072174805 563165325 /nfs/dbraw/zinc/16/53/25/563165325.db2.gz QSZVFNDCIXARSO-UHFFFAOYSA-N 0 0 427.555 3.440 1 0 IGAFRN CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 ZINC000072179588 563166587 /nfs/dbraw/zinc/16/65/87/563166587.db2.gz RPVKKSGGRLMPCY-UHFFFAOYSA-N 0 0 448.527 3.185 1 0 IGAFRN Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 ZINC000073164442 563169590 /nfs/dbraw/zinc/16/95/90/563169590.db2.gz ZCPRAJYCISWOHW-UHFFFAOYSA-N 0 0 434.591 3.116 1 0 IGAFRN C[C@H](C(=O)NCc1ccc(Br)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000073224043 563170963 /nfs/dbraw/zinc/17/09/63/563170963.db2.gz JKMIMEQWJAPXHW-NSHDSACASA-N 0 0 429.311 3.380 1 0 IGAFRN NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn32)cc1F ZINC000073331042 563172481 /nfs/dbraw/zinc/17/24/81/563172481.db2.gz CHGVCPPFYQOGNK-UHFFFAOYSA-N 0 0 432.459 3.215 1 0 IGAFRN Cn1c2ccn(CC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2c(=O)n(C)c1=O ZINC000082154834 563173589 /nfs/dbraw/zinc/17/35/89/563173589.db2.gz DAYPISIIPYEWDK-UHFFFAOYSA-N 0 0 446.551 3.145 1 0 IGAFRN CN1C(=O)N(c2ccc(F)nc2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl ZINC000095565678 563183328 /nfs/dbraw/zinc/18/33/28/563183328.db2.gz VLHIAJGMGWGNEH-ZDUSSCGKSA-N 0 0 430.789 3.450 1 0 IGAFRN CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C)c2C)CC1 ZINC000095566449 563183502 /nfs/dbraw/zinc/18/35/02/563183502.db2.gz NIJZAQQVGMUHPJ-FQEVSTJZSA-N 0 0 434.544 3.324 3 0 IGAFRN Cc1c(C)c2ccc(OCc3nnc(SCCN4CCOCC4)s3)cc2oc1=O ZINC000095575003 563185510 /nfs/dbraw/zinc/18/55/10/563185510.db2.gz QOJVVDRPPDBHMM-UHFFFAOYSA-N 0 0 433.555 3.265 1 0 IGAFRN O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCO[C@@H](c4ccccc4)C3)nc2c1 ZINC000095580095 563187186 /nfs/dbraw/zinc/18/71/86/563187186.db2.gz PHIHUSKNIVVTLO-QGZVFWFLSA-N 0 0 425.432 3.477 1 0 IGAFRN O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc(F)cc1 ZINC000095599496 563192404 /nfs/dbraw/zinc/19/24/04/563192404.db2.gz RQROTRKTOCJPTC-QFIPXVFZSA-N 0 0 443.438 3.318 3 0 IGAFRN O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccs1 ZINC000095605648 563194057 /nfs/dbraw/zinc/19/40/57/563194057.db2.gz NKEVIUINSXOZHY-HXUWFJFHSA-N 0 0 431.477 3.240 3 0 IGAFRN COc1cc([C@]2(C)C3=C(COC3=O)N(C)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000095616071 563194260 /nfs/dbraw/zinc/19/42/60/563194260.db2.gz WFRBCBDUIQHRNC-QHCPKHFHSA-N 0 0 425.437 3.008 1 0 IGAFRN COc1ccc2c(c1)[nH]c1c2C2(CN(C(C)=O)C2)CN(Cc2cccc(Cl)c2)[C@@H]1CO ZINC000095868873 563194682 /nfs/dbraw/zinc/19/46/82/563194682.db2.gz XCRAIVSVRZYRIC-OAQYLSRUSA-N 0 0 439.943 3.479 1 0 IGAFRN CNc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1 ZINC000096175574 563196267 /nfs/dbraw/zinc/19/62/67/563196267.db2.gz WSFOSOBZZLDQRJ-UHFFFAOYSA-N 0 0 446.515 3.068 1 0 IGAFRN O=c1cc(OCCCCO[N+](=O)[O-])cc2oc(-c3ccc4c(c3)OCCO4)cc(O)c1-2 ZINC000096273328 563196857 /nfs/dbraw/zinc/19/68/57/563196857.db2.gz RLWABUVFCFPHBN-UHFFFAOYSA-N 0 0 429.381 3.304 1 0 IGAFRN Cc1n[nH]c2c1cc(C(=O)N1CCC3(CC1)Cc1cn(C(C)(C)C)nc1C(=O)N3)cc2C ZINC000096283387 563197195 /nfs/dbraw/zinc/19/71/95/563197195.db2.gz OKKCPHYWOXLRTH-UHFFFAOYSA-N 0 0 434.544 3.092 1 0 IGAFRN COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)c2c1ncn2CCO ZINC000096931680 563198740 /nfs/dbraw/zinc/19/87/40/563198740.db2.gz KRTABKJZCBYQHC-UHFFFAOYSA-N 0 0 425.441 3.385 1 0 IGAFRN C=CC(=O)Nc1cccc(-n2c3nc(Nc4ccc(OC)cc4)ncc3nc(C)c2=O)c1 ZINC000096933676 563199121 /nfs/dbraw/zinc/19/91/21/563199121.db2.gz FGPPXNCHKYRZCI-UHFFFAOYSA-N 0 0 428.452 3.361 1 0 IGAFRN CCN(CC)C(=O)CNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000098082287 563200534 /nfs/dbraw/zinc/20/05/34/563200534.db2.gz BSJSJGWDVZKDCR-QQEIBLFOSA-N 0 0 445.648 3.451 1 0 IGAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@H](c2ccc(F)cc2)N=C(c2cnccn2)N1 ZINC000100410936 581093645 /nfs/dbraw/zinc/09/36/45/581093645.db2.gz IWILYSVOZLQCHZ-NRFANRHFSA-N 0 0 427.443 3.496 1 0 IGAFRN COC(=O)C(=C/c1ccc2c(c1)OCO2)/C(=C\c1ccc(OC)c(OC)c1)C(=O)OC ZINC000069482435 291356317 /nfs/dbraw/zinc/35/63/17/291356317.db2.gz YCQZYDUMZXNVBX-CZCYGEDCSA-N 0 0 426.421 3.246 1 0 biogenic,in-vitro IGAFRN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000002908632 562930465 /nfs/dbraw/zinc/93/04/65/562930465.db2.gz ACGSDORDPFKNJN-INIZCTEOSA-N 0 0 429.567 3.202 3 0 IGAFRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NC[C@@H]1CCCO1 ZINC000003332825 562934367 /nfs/dbraw/zinc/93/43/67/562934367.db2.gz ROGYOZLOXWUYPL-AWEZNQCLSA-N 0 0 429.929 3.426 3 0 IGAFRN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccnc1)N(C)C2=O ZINC000003958481 562940048 /nfs/dbraw/zinc/94/00/48/562940048.db2.gz YZHNTCMHCNIXKH-YADHBBJMSA-N 0 0 432.480 3.351 3 0 IGAFRN CCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccccc1 ZINC000005782352 562944613 /nfs/dbraw/zinc/94/46/13/562944613.db2.gz VRCRCBWHBOWEMU-UHFFFAOYSA-N 0 0 426.550 3.393 1 0 IGAFRN CNC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000006378843 562946717 /nfs/dbraw/zinc/94/67/17/562946717.db2.gz IGLFPEGNMYCAPK-HXUWFJFHSA-N 0 0 427.501 3.124 1 0 IGAFRN CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008582762 562949644 /nfs/dbraw/zinc/94/96/44/562949644.db2.gz PNECGUUYYFRKDY-UHFFFAOYSA-N 0 0 436.472 3.206 3 0 IGAFRN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1 ZINC000008611112 562958387 /nfs/dbraw/zinc/95/83/87/562958387.db2.gz QYQXUAOBNPGEAC-UHFFFAOYSA-N 0 0 449.532 3.233 1 0 IGAFRN Cc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)c1C ZINC000008619149 562959805 /nfs/dbraw/zinc/95/98/05/562959805.db2.gz UNLUZWRIHJRANA-UHFFFAOYSA-N 0 0 449.598 3.187 1 0 IGAFRN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000009837931 562977393 /nfs/dbraw/zinc/97/73/93/562977393.db2.gz BIMDWWKWELRPKV-INIZCTEOSA-N 0 0 426.542 3.408 3 0 IGAFRN COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1 ZINC000011813594 562979367 /nfs/dbraw/zinc/97/93/67/562979367.db2.gz JOOLOWHNAPDCDG-UHFFFAOYSA-N 0 0 428.876 3.273 3 0 IGAFRN Cc1c(C(=O)NCc2ccc3c(c2)OCO3)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000012049505 562980578 /nfs/dbraw/zinc/98/05/78/562980578.db2.gz OVHAQLSPPRQHGO-UHFFFAOYSA-N 0 0 439.475 3.395 1 0 IGAFRN COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012068667 562980640 /nfs/dbraw/zinc/98/06/40/562980640.db2.gz YRVKJIDCHIEELY-UHFFFAOYSA-N 0 0 439.581 3.339 1 0 IGAFRN CC1(C)S[C@@H]2[C@@H](C(=O)OCc3ccccc3)NC(=O)N2[C@H]1C(=O)OCc1ccccc1 ZINC000012479022 562982345 /nfs/dbraw/zinc/98/23/45/562982345.db2.gz LPXALDJLBWHJBQ-GBESFXJTSA-N 0 0 440.521 3.087 3 0 IGAFRN COc1ccc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1OC ZINC000013441807 562986438 /nfs/dbraw/zinc/98/64/38/562986438.db2.gz ZFFDPMCCPRBYOG-HXUWFJFHSA-N 0 0 447.553 3.423 1 0 IGAFRN C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478807 562989211 /nfs/dbraw/zinc/98/92/11/562989211.db2.gz XGZARNPQDIWNCE-MCJXDJJGSA-N 0 0 440.544 3.121 3 0 IGAFRN CCn1cnc2cc3c(cc21)ncnc3N1CCN(C(=S)NCc2ccccc2)CC1 ZINC000013528808 562991858 /nfs/dbraw/zinc/99/18/58/562991858.db2.gz RBLRKFMYMTVDTI-UHFFFAOYSA-N 0 0 431.569 3.196 1 0 IGAFRN CCOc1cc2c(cc1OC)ncnc2N1CCN(C(=S)NCc2ccccc2)CC1 ZINC000013528677 562991889 /nfs/dbraw/zinc/99/18/89/562991889.db2.gz KIPNTFREYBTTKV-UHFFFAOYSA-N 0 0 437.569 3.234 1 0 IGAFRN CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCOCC4)cn3)nc2n(C2CCCC2)c1=O ZINC000013641712 562998392 /nfs/dbraw/zinc/99/83/92/562998392.db2.gz GGNIULHSXFVFEY-UHFFFAOYSA-N 0 0 448.527 3.393 1 0 IGAFRN COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C(=O)NC2=O)cc1OC ZINC000013652007 562999285 /nfs/dbraw/zinc/99/92/85/562999285.db2.gz SZQYYTZBGBVCKF-UHFFFAOYSA-N 0 0 443.500 3.259 1 0 IGAFRN O=C(CC[C@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 ZINC000013739771 563002933 /nfs/dbraw/zinc/00/29/33/563002933.db2.gz VGVGASMPXUSQSB-OAHLLOKOSA-N 0 0 428.286 3.359 1 0 IGAFRN COCC(COC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794790 563007169 /nfs/dbraw/zinc/00/71/69/563007169.db2.gz CLSCVCVRBTWJGR-UHFFFAOYSA-N 0 0 449.353 3.478 1 0 IGAFRN CN1CCN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)CC1 ZINC000013795959 563007279 /nfs/dbraw/zinc/00/72/79/563007279.db2.gz CPYBHPOTLRRXCY-UHFFFAOYSA-N 0 0 431.924 3.168 1 0 IGAFRN CC(C)(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 ZINC000013808733 563008704 /nfs/dbraw/zinc/00/87/04/563008704.db2.gz GJIDOEDDEGPTSO-OAHLLOKOSA-N 0 0 430.876 3.306 1 0 IGAFRN CCOC(=O)[C@H]1C(C(=O)OC)=C(CC(C)C)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814006 563009111 /nfs/dbraw/zinc/00/91/11/563009111.db2.gz ITUAEYXCUXQYQT-MRXNPFEDSA-N 0 0 449.447 3.261 1 0 IGAFRN CCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 ZINC000013818858 563009787 /nfs/dbraw/zinc/00/97/87/563009787.db2.gz MKOSJIICDIMSBH-UHFFFAOYSA-N 0 0 429.524 3.258 1 0 IGAFRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000013887510 563013761 /nfs/dbraw/zinc/01/37/61/563013761.db2.gz DQKAAHYALFGPPG-CWTRNNRKSA-N 0 0 440.372 3.281 1 0 IGAFRN COc1ccc([C@H](CS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 ZINC000013915290 563013997 /nfs/dbraw/zinc/01/39/97/563013997.db2.gz JJVMWANXAMHGPS-IBGZPJMESA-N 0 0 443.521 3.399 1 0 IGAFRN CCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CC[NH+](C)CC3)nc2c(=O)[n-]1 ZINC000014955575 563015806 /nfs/dbraw/zinc/01/58/06/563015806.db2.gz KTMCUMTWTVVHGC-UHFFFAOYSA-N 0 0 438.532 3.414 1 0 IGAFRN CCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CN(C(C)C)C3)nc2c(=O)[nH]1 ZINC000014955567 563015816 /nfs/dbraw/zinc/01/58/16/563015816.db2.gz SUNRSIDIGUGCSU-UHFFFAOYSA-N 0 0 438.532 3.413 1 0 IGAFRN C[NH+](C)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964435 563016307 /nfs/dbraw/zinc/01/63/07/563016307.db2.gz VXNZQTZFKFJIJI-UHFFFAOYSA-N 0 0 431.558 3.428 1 0 IGAFRN Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc32)no1 ZINC000020995103 563025233 /nfs/dbraw/zinc/02/52/33/563025233.db2.gz ARDFQGGIRARAHA-GOSISDBHSA-N 0 0 436.493 3.060 1 0 IGAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CF ZINC000026272128 563030472 /nfs/dbraw/zinc/03/04/72/563030472.db2.gz GWMSBYDPLYYEJV-SFTDATJTSA-N 0 0 444.503 3.299 1 0 IGAFRN Cc1c2c(c(C)c(OC(=O)[C@@H](N)C(C)C)c1C)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994352 563038867 /nfs/dbraw/zinc/03/88/67/563038867.db2.gz NLIHGRROPOICNL-XLIONFOSSA-N 0 0 428.529 3.070 1 0 IGAFRN O=C([O-])c1cn2c3c(cc(F)c(N4CC[NH2+]CC4)c3S[C@H](c3ccc(F)cc3)C2)c1=O ZINC000027096853 563039459 /nfs/dbraw/zinc/03/94/59/563039459.db2.gz JMCREIZBJCLMSJ-KRWDZBQOSA-N 0 0 443.475 3.235 1 0 IGAFRN COC(=O)/C=C/C=C/CC[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 ZINC000027627210 563044630 /nfs/dbraw/zinc/04/46/30/563044630.db2.gz VCSJUKUUUSXUFT-QJIYBJKESA-N 0 0 436.932 3.059 1 0 IGAFRN CCCCOP(=O)(OCCCC)OCN1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O ZINC000027626422 563044684 /nfs/dbraw/zinc/04/46/84/563044684.db2.gz YGEZXRHMFGPHCD-HNNXBMFYSA-N 0 0 428.488 3.136 1 0 IGAFRN [NH3+]C[C@@]1(c2ccccc2)CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1 ZINC000027896643 563048151 /nfs/dbraw/zinc/04/81/51/563048151.db2.gz NWEUYWJKWUJMKG-DEOSSOPVSA-N 0 0 439.462 3.420 1 0 IGAFRN CCCCS(=O)(=O)N[C@@H](CCCCCCCc1ccc2c([nH+]1)NCCC2)C(=O)[O-] ZINC000028370782 563053782 /nfs/dbraw/zinc/05/37/82/563053782.db2.gz ADPBZOJNGBDSMJ-IBGZPJMESA-N 0 0 425.595 3.496 1 0 IGAFRN COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H]([C@@H](O)N1[C@H]2C)N3C ZINC000028641424 563060284 /nfs/dbraw/zinc/06/02/84/563060284.db2.gz UARLRORUZJETHY-NHKIEUPYSA-N 0 0 438.524 3.368 1 0 IGAFRN COc1cccc(CS(=O)(=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000028648986 563061098 /nfs/dbraw/zinc/06/10/98/563061098.db2.gz DMHZMTUEVQNUDQ-UHFFFAOYSA-N 0 0 436.511 3.213 1 0 IGAFRN Cc1cc(CNC(=O)c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)[nH]n1 ZINC000028655395 563061345 /nfs/dbraw/zinc/06/13/45/563061345.db2.gz RJZQNKSXPGPRCV-UHFFFAOYSA-N 0 0 426.908 3.139 1 0 IGAFRN Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@@H](O)c4cccc(O)c4)cc[nH]c3=O)[nH]c21 ZINC000028703506 563061689 /nfs/dbraw/zinc/06/16/89/563061689.db2.gz NVXUNXUNXWQVAY-HXUWFJFHSA-N 0 0 442.479 3.263 1 0 IGAFRN COc1ccccc1COc1ccc(OCCCN2CCOCC2)cc1C(=O)N(C)C ZINC000028703650 563061828 /nfs/dbraw/zinc/06/18/28/563061828.db2.gz BPEZVVODQWGNAO-UHFFFAOYSA-N 0 0 428.529 3.077 1 0 IGAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(-c2cccc3c4ccccc4oc32)o1)C(=O)[O-] ZINC000028707144 563062085 /nfs/dbraw/zinc/06/20/85/563062085.db2.gz BBXRNOGBZXRXGU-MRXNPFEDSA-N 0 0 434.452 3.292 1 0 IGAFRN O=C(Nc1nc(CC2N=NC(=S)N2NC(=O)c2ccccc2)cs1)c1ccccc1 ZINC000028712129 563062873 /nfs/dbraw/zinc/06/28/73/563062873.db2.gz AWGZLVOZDDBKNB-UHFFFAOYSA-N 0 0 436.522 3.250 1 0 IGAFRN O=C(NCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F ZINC000028712157 563062903 /nfs/dbraw/zinc/06/29/03/563062903.db2.gz DWSUEVLMRQIQIK-UHFFFAOYSA-N 0 0 436.171 3.174 1 0 IGAFRN COc1ccccc1N1CCN(c2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)CC1 ZINC000028866397 563067236 /nfs/dbraw/zinc/06/72/36/563067236.db2.gz WWRCDNYKZMOZEX-UHFFFAOYSA-N 0 0 426.467 3.283 1 0 IGAFRN Cc1cc(COc2ccc(C(=O)CCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892520 563068474 /nfs/dbraw/zinc/06/84/74/563068474.db2.gz ZUXNMEBHGOPNIP-UHFFFAOYSA-N 0 0 445.475 3.457 1 0 IGAFRN COc1ccc(Cc2nc(NC3=NC(=O)N(C)C3=O)sc2Cc2ccc(O)cc2)cc1 ZINC000028902200 563069072 /nfs/dbraw/zinc/06/90/72/563069072.db2.gz BNTNNGPIKLYSCX-UHFFFAOYSA-N 0 0 436.493 3.441 1 0 IGAFRN COc1ccc(C(c2ccc(OC)cc2)[S@@](=O)CC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000028902789 563069102 /nfs/dbraw/zinc/06/91/02/563069102.db2.gz DLBMGJDSMCTQQN-HZAQMHFWSA-N 0 0 431.554 3.339 1 0 IGAFRN CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2c(-c4cc(C)on4)n[nH]c2-3)C(=O)O1 ZINC000028949268 563069409 /nfs/dbraw/zinc/06/94/09/563069409.db2.gz WCOKWWDNOXQPLF-HNNXBMFYSA-N 0 0 439.447 3.129 1 0 IGAFRN CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CCOCC1)c1ccccc1 ZINC000028951403 563069603 /nfs/dbraw/zinc/06/96/03/563069603.db2.gz QGNVIJKJOJRPFM-UKILVPOCSA-N 0 0 437.515 3.402 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccc(F)cc2F)O1 ZINC000028974519 563071332 /nfs/dbraw/zinc/07/13/32/563071332.db2.gz VOCYHUBFCKNORO-MMEWPQADSA-N 0 0 425.332 3.032 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2c(F)cccc2F)O1 ZINC000028974559 563071404 /nfs/dbraw/zinc/07/14/04/563071404.db2.gz ZVUOMJLSRAHNAK-CAMPQQCRSA-N 0 0 425.332 3.032 1 0 IGAFRN Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000029038107 563071712 /nfs/dbraw/zinc/07/17/12/563071712.db2.gz JJZMAUGBAQWGNV-RBBKRZOGSA-N 0 0 447.645 3.362 1 0 IGAFRN CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)C ZINC000029561823 563082385 /nfs/dbraw/zinc/08/23/85/563082385.db2.gz WKSVEKKODIKFRU-VXKWHMMOSA-N 0 0 429.605 3.303 1 0 IGAFRN COc1ccccc1C(=O)N[C@H]1N=C(c2ccccc2)c2cc(OC)c(OC)cc2NC1=O ZINC000034662034 563086919 /nfs/dbraw/zinc/08/69/19/563086919.db2.gz QSOFWUGUATYHBX-HSZRJFAPSA-N 0 0 445.475 3.258 1 0 IGAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccon3)c3ccccc32)CC1 ZINC000036089436 563090879 /nfs/dbraw/zinc/09/08/79/563090879.db2.gz XWSLVHMENQYJFV-UHFFFAOYSA-N 0 0 436.903 3.450 1 0 IGAFRN CCOC(=O)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2OCC)CC1 ZINC000036381363 563093740 /nfs/dbraw/zinc/09/37/40/563093740.db2.gz HEDSBARVKGSCPU-UHFFFAOYSA-N 0 0 436.512 3.059 1 0 IGAFRN COC(=O)[C@@]12CCCN1[C@H](c1ccc(SC3CCCCC3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386506 563094553 /nfs/dbraw/zinc/09/45/53/563094553.db2.gz IFDQXIBLGLRXER-KTIHBUSBSA-N 0 0 442.581 3.405 3 0 IGAFRN CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)CCC(C)C ZINC000040873434 563109212 /nfs/dbraw/zinc/10/92/12/563109212.db2.gz NKFWCEAWYLPBHG-ANULTFPQSA-N 0 0 441.657 3.104 1 0 IGAFRN CCCS(=O)(=O)N1CCC(c2ccccc2)([C@H](C)NC(=O)c2ccccc2N)CC1 ZINC000040873969 563109280 /nfs/dbraw/zinc/10/92/80/563109280.db2.gz YLUYQVCOILCLJP-SFHVURJKSA-N 0 0 429.586 3.161 1 0 IGAFRN NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1Cl ZINC000040895025 563110286 /nfs/dbraw/zinc/11/02/86/563110286.db2.gz MYXKEHCGDSUXDH-UHFFFAOYSA-N 0 0 438.919 3.421 1 0 IGAFRN CCCOC(=O)N1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000040956319 563114733 /nfs/dbraw/zinc/11/47/33/563114733.db2.gz WTBVMXMRARAFQX-UHFFFAOYSA-N 0 0 434.514 3.492 1 0 IGAFRN COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3ccc(S(N)(=O)=O)s3)cc1N2 ZINC000043023618 563117373 /nfs/dbraw/zinc/11/73/73/563117373.db2.gz KQJMAQUPVUWEKQ-UHFFFAOYSA-N 0 0 443.506 3.087 1 0 IGAFRN CN1C(=N)N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2F)C1=O ZINC000045245100 563126404 /nfs/dbraw/zinc/12/64/04/563126404.db2.gz GYXAUJZSDKKZRQ-HXUWFJFHSA-N 0 0 445.376 3.421 1 0 IGAFRN O=C(OC[C@H]1CNc2cn(CCc3ccccc3)nc2C(=O)N1)c1cccc2cnccc21 ZINC000045258792 563127569 /nfs/dbraw/zinc/12/75/69/563127569.db2.gz GNQLTIMVDQALEW-LJQANCHMSA-N 0 0 441.491 3.055 1 0 IGAFRN Cc1c(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1 ZINC000045261368 563127869 /nfs/dbraw/zinc/12/78/69/563127869.db2.gz UZIFKODROZEAAF-SJLPKXTDSA-N 0 0 434.496 3.185 1 0 IGAFRN Cn1cc2c(n1)nc(NC(=O)Cc1ccc(C(F)(F)F)cc1)n1nc(-c3ccco3)nc21 ZINC000045300238 563129047 /nfs/dbraw/zinc/12/90/47/563129047.db2.gz WHPZFJZIANMYCZ-UHFFFAOYSA-N 0 0 441.373 3.471 1 0 IGAFRN CN1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1 ZINC000045338506 563131778 /nfs/dbraw/zinc/13/17/78/563131778.db2.gz FASDRXVRUNRPPG-UHFFFAOYSA-N 0 0 437.302 3.052 1 0 IGAFRN O=C(O[C@@H]1Cc2ccccc2C[C@@H]1OC(=O)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1 ZINC000045364622 563132986 /nfs/dbraw/zinc/13/29/86/563132986.db2.gz SYNDNVXTTZJXLZ-SZPZYZBQSA-N 0 0 436.416 3.059 1 0 IGAFRN Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCOCC1 ZINC000049045582 563136591 /nfs/dbraw/zinc/13/65/91/563136591.db2.gz BMSMOYJGZAKUNL-UHFFFAOYSA-N 0 0 442.466 3.329 1 0 IGAFRN Cn1cnc2c1nc(-c1cccc(NC(=O)NCc3ccccc3)c1)nc2NCCCO ZINC000049047152 563136672 /nfs/dbraw/zinc/13/66/72/563136672.db2.gz GVMNDNUTHKYBCA-UHFFFAOYSA-N 0 0 431.500 3.146 1 0 IGAFRN CCCCNC(=O)CC[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)NCCCC ZINC000049050301 563136860 /nfs/dbraw/zinc/13/68/60/563136860.db2.gz UGXZNKTWFHKFEE-FQEVSTJZSA-N 0 0 447.601 3.100 1 0 IGAFRN Cn1nccc1-c1cc(NC(=O)c2ccc(F)c(F)c2)ccc1OCCN1CCOCC1 ZINC000049111385 563138228 /nfs/dbraw/zinc/13/82/28/563138228.db2.gz JFDDZUJAURQELQ-UHFFFAOYSA-N 0 0 442.466 3.329 1 0 IGAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(O)cc2c(C(F)(F)F)c1C3 ZINC000053314047 563142125 /nfs/dbraw/zinc/14/21/25/563142125.db2.gz GFJDQCXUYSZPNK-OAQYLSRUSA-N 0 0 446.381 3.194 1 0 IGAFRN CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn21 ZINC000061897356 563147520 /nfs/dbraw/zinc/14/75/20/563147520.db2.gz QGAKQLBEYYALCV-UHFFFAOYSA-N 0 0 438.528 3.477 3 0 IGAFRN COc1cc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc(OC)c1 ZINC000061908148 563148915 /nfs/dbraw/zinc/14/89/15/563148915.db2.gz AGTHYBJHCXERNU-QFIPXVFZSA-N 0 0 432.480 3.216 3 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921001 563149136 /nfs/dbraw/zinc/14/91/36/563149136.db2.gz DAWUOTUQHPKEIQ-GOSISDBHSA-N 0 0 425.573 3.364 3 0 IGAFRN COc1ccc(CN(C)C(=O)Cn2cnc3c2ncnc3OCc2ccccc2)cc1OC ZINC000061947306 563151452 /nfs/dbraw/zinc/15/14/52/563151452.db2.gz JWHWVXNHKGAQAH-UHFFFAOYSA-N 0 0 447.495 3.081 3 0 IGAFRN COc1cc(N2CCOCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C ZINC000066066278 563157093 /nfs/dbraw/zinc/15/70/93/563157093.db2.gz WUWXJIFZTHONGM-UHFFFAOYSA-N 0 0 446.511 3.423 1 0 IGAFRN CC[C@@H](C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 ZINC000066111557 563158833 /nfs/dbraw/zinc/15/88/33/563158833.db2.gz UBCICOPKLTVUSO-SJLPKXTDSA-N 0 0 449.544 3.185 1 0 IGAFRN COc1ccc(-c2ccc3cnc(Nc4ccc(N5CCN(C)CC5)c(F)c4)nn32)cn1 ZINC000073196275 563169918 /nfs/dbraw/zinc/16/99/18/563169918.db2.gz BMRWKIYVKWSZAZ-UHFFFAOYSA-N 0 0 433.491 3.434 1 0 IGAFRN COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc43)cn2)c1 ZINC000073221969 563170610 /nfs/dbraw/zinc/17/06/10/563170610.db2.gz FWRUVEHMIVRQGU-UHFFFAOYSA-N 0 0 434.456 3.234 1 0 IGAFRN C[C@H](NC(=O)c1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073298657 563172211 /nfs/dbraw/zinc/17/22/11/563172211.db2.gz SXOJFGMXGDJOOS-WMZHIEFXSA-N 0 0 430.504 3.389 1 0 IGAFRN COCC(COC)n1cc(Br)nc(Nc2cc(C)c(OC)cc2C)c1=O ZINC000095553556 563181017 /nfs/dbraw/zinc/18/10/17/563181017.db2.gz DCIRCIXQOQYKRB-UHFFFAOYSA-N 0 0 426.311 3.209 1 0 IGAFRN CC(=O)Nc1cccc(-c2ccc3nc(Nc4cc[nH]n4)c(-c4nc(C)nc(N)n4)n3c2)c1 ZINC000095556564 563181547 /nfs/dbraw/zinc/18/15/47/563181547.db2.gz ZOHYOLFOCULNKX-UHFFFAOYSA-N 0 0 440.471 3.169 1 0 IGAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)cc3S(C)(=O)=O)CC2)c1 ZINC000095570144 563184265 /nfs/dbraw/zinc/18/42/65/563184265.db2.gz DCLLMXAKOMJWDV-UHFFFAOYSA-N 0 0 439.006 3.274 1 0 IGAFRN O=S(=O)(N[C@H]1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F ZINC000095574342 563185376 /nfs/dbraw/zinc/18/53/76/563185376.db2.gz QHVDRXNWAMTCNP-SFHVURJKSA-N 0 0 436.524 3.275 1 0 IGAFRN O=S(=O)(N[C@@H]1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F ZINC000095574343 563185362 /nfs/dbraw/zinc/18/53/62/563185362.db2.gz QHVDRXNWAMTCNP-GOSISDBHSA-N 0 0 436.524 3.275 1 0 IGAFRN CCNc1nc(Nc2cc3c(cc2OC)C(=O)N(CC(C)(C)O)C3)ncc1C(F)(F)F ZINC000095578190 563186621 /nfs/dbraw/zinc/18/66/21/563186621.db2.gz ZHMRQZAPJXOLBW-UHFFFAOYSA-N 0 0 439.438 3.406 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCCc2ccccc2F)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593651 563190806 /nfs/dbraw/zinc/19/08/06/563190806.db2.gz RGEJLLUAOKLHFK-OSPHWJPCSA-N 0 0 445.487 3.247 1 0 IGAFRN O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc(F)cc1 ZINC000095599495 563192419 /nfs/dbraw/zinc/19/24/19/563192419.db2.gz RQROTRKTOCJPTC-JOCHJYFZSA-N 0 0 443.438 3.318 3 0 IGAFRN CC(C)C(=O)N1CCC[C@H](c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 ZINC000096168880 563195369 /nfs/dbraw/zinc/19/53/69/563195369.db2.gz SPMFAAOODORGCL-KRWDZBQOSA-N 0 0 447.539 3.223 1 0 IGAFRN CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@H](C)O4)CC2)c(Cl)c1 ZINC000096274140 563197115 /nfs/dbraw/zinc/19/71/15/563197115.db2.gz VGVJZUWQVBBTHR-HNNXBMFYSA-N 0 0 442.947 3.050 1 0 IGAFRN CC(=O)O[C@H]1C=C2C(=O)OC[C@]23C[C@@H](OC(C)=O)[C@@H](C)[C@@](C)(C[C@@H](O)c2ccoc2)[C@H]3C1 ZINC000095915006 291353612 /nfs/dbraw/zinc/35/36/12/291353612.db2.gz QNEVSNMXAPYPNG-NJQIZKOFSA-N 0 0 446.496 3.102 1 0 biogenic,in-vitro IGAFRN C[C@@]1(O)CCC[C@@H]2c3c(cc4oc(CO)c(CCCO)c(=O)c4c3OC3CCCC3)O[C@@H]21 ZINC000085594437 291359940 /nfs/dbraw/zinc/35/99/40/291359940.db2.gz WGEFIJKSAZPEFZ-VFRFXQOFSA-N 0 0 444.524 3.311 1 0 biogenic,in-vitro IGAFRN COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@@H]4C(=O)O[C@H]5C[C@@H]3C[C@@H]45)c2)c(OC)c1 ZINC000012470398 524644445 /nfs/dbraw/zinc/64/44/45/524644445.db2.gz RSKYRWYPOSHAMP-MFSCSNGFSA-N 0 0 436.464 3.092 1 0 IGAFRN COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCOCC4)nc32)cc1 ZINC000004238210 536551150 /nfs/dbraw/zinc/55/11/50/536551150.db2.gz RXFGYAXKLVLMQD-UHFFFAOYSA-N 0 0 449.898 3.341 1 0 IGAFRN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCO)C2=O)c1 ZINC000000587336 562918248 /nfs/dbraw/zinc/91/82/48/562918248.db2.gz FEDPHEUPXHITDF-QHCPKHFHSA-N 0 0 428.492 3.319 1 0 IGAFRN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)COc3cccc(C)c3)s2)cc1 ZINC000001340263 562921303 /nfs/dbraw/zinc/92/13/03/562921303.db2.gz NJFIWKQUMYJVFB-UHFFFAOYSA-N 0 0 431.539 3.189 3 0 IGAFRN O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)N(Cc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000001623754 562923249 /nfs/dbraw/zinc/92/32/49/562923249.db2.gz BYXCBEDSXXQRPB-GOTSBHOMSA-N 0 0 425.488 3.431 1 0 IGAFRN COC(=O)CCc1cc(OC)c(O)c([C@H](Cc2ccc(OC)c(OC)c2)C(=O)OC)c1 ZINC000001645305 562923633 /nfs/dbraw/zinc/92/36/33/562923633.db2.gz GYPNOLWZMZCOFY-KRWDZBQOSA-N 0 0 432.469 3.023 1 0 IGAFRN C/C=C/C(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 ZINC000002021094 562925586 /nfs/dbraw/zinc/92/55/86/562925586.db2.gz MWTHYSKRFACTTJ-LXXRFIIISA-N 0 0 425.481 3.428 1 0 IGAFRN CC(C)Cn1c(N)c(-c2nc(C(C)C)c(C(=O)c3ccccc3F)s2)c(=O)n(C)c1=O ZINC000002638167 562929009 /nfs/dbraw/zinc/92/90/09/562929009.db2.gz FJXPYEDWHISJSA-UHFFFAOYSA-N 0 0 444.532 3.402 3 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1c(F)ccc2-c1cnco1 ZINC000003648916 562937403 /nfs/dbraw/zinc/93/74/03/562937403.db2.gz YUBUIMRLUDWMJJ-UHFFFAOYSA-N 0 0 446.438 3.129 1 0 IGAFRN CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCO[N+](=O)[O-])nn2-c2ccc(F)cc2)cc1 ZINC000003933454 562939434 /nfs/dbraw/zinc/93/94/34/562939434.db2.gz SKIUJHBSZQTQCI-UHFFFAOYSA-N 0 0 447.444 3.253 1 0 IGAFRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc1 ZINC000006577381 562947612 /nfs/dbraw/zinc/94/76/12/562947612.db2.gz APRMCPURFBOJDX-UHFFFAOYSA-N 0 0 425.510 3.283 3 0 IGAFRN Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Br)c2N)c1C ZINC000008595427 562953442 /nfs/dbraw/zinc/95/34/42/562953442.db2.gz SALQUHPUAYDTFA-UHFFFAOYSA-N 0 0 443.305 3.131 1 0 IGAFRN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000008598263 562954249 /nfs/dbraw/zinc/95/42/49/562954249.db2.gz QNUDZUQLFKRRLI-OAHLLOKOSA-N 0 0 436.946 3.445 1 0 IGAFRN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211034 562968220 /nfs/dbraw/zinc/96/82/20/562968220.db2.gz SSCBORMSOZMLHE-LJQANCHMSA-N 0 0 448.571 3.484 3 0 IGAFRN Cc1ccsc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000011814085 562979358 /nfs/dbraw/zinc/97/93/58/562979358.db2.gz LEHRUBFSHGQORP-IBGZPJMESA-N 0 0 426.586 3.433 3 0 IGAFRN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CC(C)(C)CC(C)(C)C2)cc1OC ZINC000012072771 562980595 /nfs/dbraw/zinc/98/05/95/562980595.db2.gz HABHMJWZKNFKIZ-LJQANCHMSA-N 0 0 445.604 3.115 3 0 IGAFRN COc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccccc2-n2cccn2)C3)nn1 ZINC000012031168 562980547 /nfs/dbraw/zinc/98/05/47/562980547.db2.gz CFAUVOJLCZDXBG-KRWDZBQOSA-N 0 0 427.464 3.071 1 0 IGAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000012477703 562982294 /nfs/dbraw/zinc/98/22/94/562982294.db2.gz OFLUTENOCTXOII-QHYAIYAISA-N 0 0 436.464 3.165 3 0 IGAFRN CCCCC(=O)Nc1ccc2cc(C(=O)OC)c(ON3C(=O)c4ccccc4C3=O)nc2n1 ZINC000013223283 562985668 /nfs/dbraw/zinc/98/56/68/562985668.db2.gz IZLUZISUDWSWLZ-UHFFFAOYSA-N 0 0 448.435 3.135 1 0 IGAFRN COc1ccccc1N1CCN(CCn2nc(-n3ccc4ccccc43)ccc2=O)CC1 ZINC000013475449 562988882 /nfs/dbraw/zinc/98/88/82/562988882.db2.gz YTGBYMAEWNVMKV-UHFFFAOYSA-N 0 0 429.524 3.018 1 0 IGAFRN CCCCn1c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc2c(=O)n(Cc2ccccc2)c1=O ZINC000013553791 562992963 /nfs/dbraw/zinc/99/29/63/562992963.db2.gz KKTOJTUZPIHMMS-UHFFFAOYSA-N 0 0 445.523 3.284 1 0 IGAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000013561154 562994309 /nfs/dbraw/zinc/99/43/09/562994309.db2.gz YBHBUGPAORYSHF-KGGRTRCXSA-N 0 0 448.412 3.330 1 0 IGAFRN CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCCCCO)C1 ZINC000013634710 562998169 /nfs/dbraw/zinc/99/81/69/562998169.db2.gz DLKYZMUVAPYQRL-GGAORHGYSA-N 0 0 430.589 3.413 3 0 IGAFRN CN(Cc1nccs1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013636898 562998251 /nfs/dbraw/zinc/99/82/51/562998251.db2.gz CQVJFMSLFQKXSW-OAQYLSRUSA-N 0 0 434.565 3.159 3 0 IGAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000013657143 562999483 /nfs/dbraw/zinc/99/94/83/562999483.db2.gz SMGGCGRBKDJWAW-WBVHZDCISA-N 0 0 428.533 3.387 3 0 IGAFRN COc1c(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000013762160 563005339 /nfs/dbraw/zinc/00/53/39/563005339.db2.gz LCCVBKWYQBQOJT-UHFFFAOYSA-N 0 0 433.358 3.492 1 0 IGAFRN COc1ccc(OC)c(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 ZINC000013831780 563011226 /nfs/dbraw/zinc/01/12/26/563011226.db2.gz ISCOBOIUGVZUJD-HSZRJFAPSA-N 0 0 448.475 3.357 1 0 IGAFRN COc1cc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000013831773 563011230 /nfs/dbraw/zinc/01/12/30/563011230.db2.gz BQXZYRKURCQDOT-QHCPKHFHSA-N 0 0 448.475 3.357 1 0 IGAFRN NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1 ZINC000013835316 563012154 /nfs/dbraw/zinc/01/21/54/563012154.db2.gz KEMJOCDMOVTTNO-UHFFFAOYSA-N 0 0 445.163 3.044 1 0 IGAFRN Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](OC(C)C)C3)nc(-c3ccc(C)o3)n2)n1 ZINC000014975565 563016869 /nfs/dbraw/zinc/01/68/69/563016869.db2.gz KGHBKXALSJLZKK-SFHVURJKSA-N 0 0 438.532 3.285 1 0 IGAFRN Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc32)c1 ZINC000021289107 563025348 /nfs/dbraw/zinc/02/53/48/563025348.db2.gz BGPOQKXCTILWFE-UHFFFAOYSA-N 0 0 429.322 3.275 1 0 IGAFRN COc1cc2nc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nc(N)c2cc1OC ZINC000025963685 563027720 /nfs/dbraw/zinc/02/77/20/563027720.db2.gz RNQYGMOUFHXINE-UHFFFAOYSA-N 0 0 443.507 3.345 1 0 IGAFRN CC(=O)SC[C@@H](Cc1ccccc1)C(=O)N[C@H](CSCc1ccc(C)cc1)C(N)=O ZINC000026487923 563032433 /nfs/dbraw/zinc/03/24/33/563032433.db2.gz PUSQLVCDLZRNCT-NHCUHLMSSA-N 0 0 444.622 3.337 1 0 IGAFRN CSCC[C@@H](NC(=O)[C@@H](CSC(C)=O)Cc1ccccc1)C(=O)N1CCCCC1 ZINC000026500245 563032729 /nfs/dbraw/zinc/03/27/29/563032729.db2.gz MZXPIHCOIAXPOG-WOJBJXKFSA-N 0 0 436.643 3.375 1 0 IGAFRN COC(=O)[C@]12CCCN1C(=O)[C@](Cc1ccccc1)(NC(=O)OCc1ccccc1)CC2 ZINC000026577695 563033916 /nfs/dbraw/zinc/03/39/16/563033916.db2.gz IKKUIVKTPRDZJW-LOSJGSFVSA-N 0 0 436.508 3.222 1 0 IGAFRN CC(C)[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N12 ZINC000026950116 563038149 /nfs/dbraw/zinc/03/81/49/563038149.db2.gz JGYXFAVLGHCXQK-BBTUJRGHSA-N 0 0 425.529 3.239 1 0 IGAFRN CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4oncc4Cl)CC3)c(F)c2)C(=O)O1 ZINC000027408552 563041905 /nfs/dbraw/zinc/04/19/05/563041905.db2.gz VPZWRGRBWNXIST-HNNXBMFYSA-N 0 0 434.855 3.222 1 0 IGAFRN COc1cc2nc(N3CCC(OC[C@@](C)(O)c4ccccc4)CC3)nc(N)c2cc1OC ZINC000027559888 563044157 /nfs/dbraw/zinc/04/41/57/563044157.db2.gz CTEBAMPXSHHIPC-XMMPIXPASA-N 0 0 438.528 3.122 1 0 IGAFRN COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2c(C)cc(C)cc2C)CCO1 ZINC000027706073 563045511 /nfs/dbraw/zinc/04/55/11/563045511.db2.gz KUUVTCZOYVTWFA-QGZVFWFLSA-N 0 0 431.964 3.487 1 0 IGAFRN CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(S(C)(=O)=O)cc1 ZINC000027873951 563047648 /nfs/dbraw/zinc/04/76/48/563047648.db2.gz VHLWWNWUKRMLBF-HXUWFJFHSA-N 0 0 430.526 3.353 1 0 IGAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cccc2c1OCO2 ZINC000028004478 563049326 /nfs/dbraw/zinc/04/93/26/563049326.db2.gz LCMNOZWTNCADQP-UHFFFAOYSA-N 0 0 438.484 3.212 1 0 IGAFRN Cc1ccc(C(=O)[O-])cc1Nc1nc(N(C)CC(C)(C)C)nc(N2CCC[N@H+](C)CC2)n1 ZINC000028637331 563059883 /nfs/dbraw/zinc/05/98/83/563059883.db2.gz HWYJUFZHCVVPKA-UHFFFAOYSA-N 0 0 441.580 3.246 1 0 IGAFRN COc1ccc(/C=C(C(=C/c2ccc(OC)c(OC)c2)/N(C)C=O)\N(C)C=O)cc1OC ZINC000028639142 563059979 /nfs/dbraw/zinc/05/99/79/563059979.db2.gz XXDISKZJNUFEHG-YZLQMOBTSA-N 0 0 440.496 3.279 1 0 IGAFRN COc1nc2ccc(NC(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc2nc1OC ZINC000028702977 563061583 /nfs/dbraw/zinc/06/15/83/563061583.db2.gz XZQGFDFLKKLIIQ-OAHLLOKOSA-N 0 0 441.532 3.340 1 0 IGAFRN Nc1ccccc1NC(=O)c1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)nc1 ZINC000028824476 563066048 /nfs/dbraw/zinc/06/60/48/563066048.db2.gz OSZWAWBQXOYVIL-UHFFFAOYSA-N 0 0 431.496 3.375 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cc(F)ccc2F)O1 ZINC000028974536 563071408 /nfs/dbraw/zinc/07/14/08/563071408.db2.gz XHVBOPHNTXLXJC-MLNJSSBLSA-N 0 0 425.332 3.032 1 0 IGAFRN CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(CCCCCCCO)nn1 ZINC000029044340 563072425 /nfs/dbraw/zinc/07/24/25/563072425.db2.gz XXGIJNUEEZIWNY-FPOVZHCZSA-N 0 0 446.573 3.040 1 0 IGAFRN COC(=O)CCC(=O)Nc1ccc(Br)cc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000029044619 563072521 /nfs/dbraw/zinc/07/25/21/563072521.db2.gz IXBPOPOGNRYKSB-BETUJISGSA-N 0 0 425.323 3.459 1 0 IGAFRN Brc1cccc(Nc2ncnc3ccncc32)c1NCCN1CCOCC1 ZINC000029132872 563075796 /nfs/dbraw/zinc/07/57/96/563075796.db2.gz VDSXZXJEWIWBCG-UHFFFAOYSA-N 0 0 429.322 3.275 1 0 IGAFRN Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@@H]1CC[C@@H](n3cnc4c3ncnc4N)O1)O2 ZINC000029391680 563078929 /nfs/dbraw/zinc/07/89/29/563078929.db2.gz KUVGHHLFOMVIIJ-BGPCXKNESA-N 0 0 431.389 3.437 1 0 IGAFRN CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCCCF)c2)C1=O ZINC000035261802 563089720 /nfs/dbraw/zinc/08/97/20/563089720.db2.gz ZPKMNSUSQSIWHS-HXUWFJFHSA-N 0 0 425.382 3.405 1 0 IGAFRN CCCn1c2[nH]c(-c3cnn(Cc4cccc(Cl)c4)c3)nc2c(=O)n(CCC)c1=O ZINC000035849197 563090072 /nfs/dbraw/zinc/09/00/72/563090072.db2.gz BHVNIIMPUODVIW-UHFFFAOYSA-N 0 0 426.908 3.272 1 0 IGAFRN CCCn1c2[nH]c(-c3cnn(Cc4ccccc4Cl)c3)nc2c(=O)n(CCC)c1=O ZINC000036124083 563091073 /nfs/dbraw/zinc/09/10/73/563091073.db2.gz ARWUBYOBJLESLG-UHFFFAOYSA-N 0 0 426.908 3.272 1 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3c(C)cc(C)cc3NC(=O)[C@@]12C ZINC000036387209 563094521 /nfs/dbraw/zinc/09/45/21/563094521.db2.gz JWCQCMTTWKYWRC-IJUKNHKESA-N 0 0 434.492 3.399 3 0 IGAFRN OC[C@H]1O[C@H](n2c3cc(Cl)c(Cl)cc3nc2SCc2ccccc2)[C@@H](O)[C@H]1O ZINC000039182244 563098763 /nfs/dbraw/zinc/09/87/63/563098763.db2.gz ISLZSOMAOHBIRJ-OWSLCNJRSA-N 0 0 441.336 3.247 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccc4ccccc4n3)C(=O)O2)cc1 ZINC000040401678 563100915 /nfs/dbraw/zinc/10/09/15/563100915.db2.gz QKLKBJXBLVSOJG-JFJNVINNSA-N 0 0 432.476 3.219 1 0 IGAFRN O=C1CC[C@@](c2ccccn2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040430471 563103462 /nfs/dbraw/zinc/10/34/62/563103462.db2.gz KJOHICOVVWXUGM-QFIPXVFZSA-N 0 0 442.357 3.431 1 0 IGAFRN COc1cc(/C=C\c2ccc(OC)c(NC(=O)NCCN3CCOCC3)c2)cc(OC)c1 ZINC000040835264 563107152 /nfs/dbraw/zinc/10/71/52/563107152.db2.gz ROFRBHINSJODGW-PLNGDYQASA-N 0 0 441.528 3.337 1 0 IGAFRN COc1cc(OC)nc(NC(=S)NC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859854 563107897 /nfs/dbraw/zinc/10/78/97/563107897.db2.gz PDZWMWIADVKZOV-SNRBSPJOSA-N 0 0 438.859 3.264 1 0 IGAFRN COc1cc(OC)nc(NC(=S)NC(=O)[C@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859848 563107909 /nfs/dbraw/zinc/10/79/09/563107909.db2.gz PDZWMWIADVKZOV-XCXAYMMVSA-N 0 0 438.859 3.264 1 0 IGAFRN O=C(CCn1c2ccccc2nc(-c2ccccc2)c1=O)N1CCC[C@H]1C(=O)N1CCCC1 ZINC000040863006 563108353 /nfs/dbraw/zinc/10/83/53/563108353.db2.gz KWCKZIJGKMCYCI-QFIPXVFZSA-N 0 0 444.535 3.067 1 0 in-vivo IGAFRN Cc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000040866847 563108884 /nfs/dbraw/zinc/10/88/84/563108884.db2.gz IRVRVPZREUIHGN-UHFFFAOYSA-N 0 0 433.526 3.488 1 0 IGAFRN CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(Br)cc2)cc1F ZINC000040877638 563109560 /nfs/dbraw/zinc/10/95/60/563109560.db2.gz KYFRAPIQYAELCT-UHFFFAOYSA-N 0 0 429.311 3.209 1 0 IGAFRN COc1cc2c(cc1OC)[C@](C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C ZINC000040900417 563110929 /nfs/dbraw/zinc/11/09/29/563110929.db2.gz LYFXEMOEIJEDAX-DEOSSOPVSA-N 0 0 441.480 3.296 1 0 IGAFRN COc1cc(Nc2nc(N(C)Cc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1 ZINC000040934955 563112577 /nfs/dbraw/zinc/11/25/77/563112577.db2.gz WRTLOLDYSMFKTE-UHFFFAOYSA-N 0 0 432.484 3.225 1 0 IGAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2c[n+]([O-])ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045284585 563128093 /nfs/dbraw/zinc/12/80/93/563128093.db2.gz VGXKDVILUDFEGF-SFHVURJKSA-N 0 0 436.415 3.389 1 0 IGAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2Cn2cncn2)c1 ZINC000045301709 563129320 /nfs/dbraw/zinc/12/93/20/563129320.db2.gz BIAVNIURXUSJSX-UHFFFAOYSA-N 0 0 436.253 3.337 1 0 IGAFRN O=C1CSc2cc(Cl)ccc2N1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045339364 563131845 /nfs/dbraw/zinc/13/18/45/563131845.db2.gz RFTVMINYXHUSQZ-LJQANCHMSA-N 0 0 436.871 3.236 1 0 IGAFRN CN1C(=N)N[C@@](c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)(C2CCCCC2)C1=O ZINC000045384195 563133715 /nfs/dbraw/zinc/13/37/15/563133715.db2.gz SNQQSEHSNGCNKM-XMMPIXPASA-N 0 0 434.496 3.230 1 0 IGAFRN CCCc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)CN1CCN(c2ncccn2)CC1 ZINC000045392135 563134131 /nfs/dbraw/zinc/13/41/31/563134131.db2.gz YPQGHFUUPYKNGV-SFHVURJKSA-N 0 0 434.544 3.025 1 0 IGAFRN O=C(NCCc1c[nH]c2ccc(O)cc12)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000049051350 563136950 /nfs/dbraw/zinc/13/69/50/563136950.db2.gz FEYCSGXJKLRPJH-UHFFFAOYSA-N 0 0 433.434 3.362 1 0 IGAFRN COc1ccc(C2=Nc3cc(C(=O)NCCN4CCOCC4)ccc3CN2C(C)C)cc1 ZINC000049763292 563139342 /nfs/dbraw/zinc/13/93/42/563139342.db2.gz DKBOLPXXAXMNSZ-UHFFFAOYSA-N 0 0 436.556 3.060 1 0 IGAFRN CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc21 ZINC000053276438 563141620 /nfs/dbraw/zinc/14/16/20/563141620.db2.gz JIBPVUZCHLCLJB-UHFFFAOYSA-N 0 0 447.538 3.334 1 0 IGAFRN COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921570 563149327 /nfs/dbraw/zinc/14/93/27/563149327.db2.gz IOCKXHBSWWFCEO-UKHYVGRKSA-N 0 0 430.432 3.027 3 0 IGAFRN CC(C)(C)OC[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)C(=O)OC(C)(C)C ZINC000061922180 563149404 /nfs/dbraw/zinc/14/94/04/563149404.db2.gz MQTAPMUKMNFUNS-HNNXBMFYSA-N 0 0 448.495 3.056 3 0 IGAFRN COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923386 563149565 /nfs/dbraw/zinc/14/95/65/563149565.db2.gz UOKVGZMMNJBBJI-LJQANCHMSA-N 0 0 441.572 3.245 3 0 IGAFRN Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061924217 563149641 /nfs/dbraw/zinc/14/96/41/563149641.db2.gz DQPXCBDWRAAMCQ-KKPKCPPISA-N 0 0 431.536 3.444 3 0 IGAFRN COc1ccc(CNC(=O)[C@@H]2Cc3c(nccc3-c3ccc4c(c3)OCO4)O2)cc1OC ZINC000061926435 563149913 /nfs/dbraw/zinc/14/99/13/563149913.db2.gz NFZPVCYINDURLZ-QFIPXVFZSA-N 0 0 434.448 3.114 3 0 IGAFRN C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061931366 563150753 /nfs/dbraw/zinc/15/07/53/563150753.db2.gz HZRVIHWEIRSQNK-RQKXCBIASA-N 0 0 432.520 3.142 3 0 IGAFRN O=S(=O)(c1ccccc1Br)N(C[C@H](O)COCc1ccccc1)C1CC1 ZINC000061943369 563150969 /nfs/dbraw/zinc/15/09/69/563150969.db2.gz QZLWCXIREQODSK-KRWDZBQOSA-N 0 0 440.359 3.180 3 0 IGAFRN CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958794 563151936 /nfs/dbraw/zinc/15/19/36/563151936.db2.gz SCYIOZPAOQEYAT-QGZVFWFLSA-N 0 0 444.431 3.479 3 0 IGAFRN O=C1C[C@@]2(CCc3ccccc3C2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000064245779 563152465 /nfs/dbraw/zinc/15/24/65/563152465.db2.gz WZOMICPSISNAGQ-VWLOTQADSA-N 0 0 437.971 3.396 1 0 IGAFRN O=C(NCCCN(C1=NS(=O)(=O)c2ccccc21)C1CCCC1)c1ccc(F)cc1 ZINC000064559989 563156217 /nfs/dbraw/zinc/15/62/17/563156217.db2.gz RLNAVZXUESDEDE-UHFFFAOYSA-N 0 0 429.517 3.339 1 0 IGAFRN C[C@H](CNC(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000066077653 563157700 /nfs/dbraw/zinc/15/77/00/563157700.db2.gz SLZVKIRSPIZHMD-MRXNPFEDSA-N 0 0 438.590 3.032 1 0 IGAFRN Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1 ZINC000066136524 563159449 /nfs/dbraw/zinc/15/94/49/563159449.db2.gz QUZXWQMDELKGNV-GOSISDBHSA-N 0 0 439.581 3.194 1 0 IGAFRN O=C(C[C@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258684 563160326 /nfs/dbraw/zinc/16/03/26/563160326.db2.gz WNJVHDCHIVYQBJ-JOCHJYFZSA-N 0 0 441.478 3.312 1 0 IGAFRN Cc1nnc([C@H]2C[C@@H]3c4c[nH]nc4C[C@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000072122697 563163933 /nfs/dbraw/zinc/16/39/33/563163933.db2.gz CUGHGQZFDYOJGX-BTJLNZGRSA-N 0 0 435.962 3.457 1 0 IGAFRN COc1ccccc1/C(Br)=C(/NC(=O)c1ccccc1)C(=O)N1CCOCC1 ZINC000072177559 563166042 /nfs/dbraw/zinc/16/60/42/563166042.db2.gz YXYQGBYOUUTELE-HNENSFHCSA-N 0 0 445.313 3.048 1 0 IGAFRN O=C(CCC(=O)N1CCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073223417 563170922 /nfs/dbraw/zinc/17/09/22/563170922.db2.gz FGMJZIMXFWSFAS-UHFFFAOYSA-N 0 0 429.476 3.279 1 0 IGAFRN CN(C)C(=O)c1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 ZINC000084619540 563174659 /nfs/dbraw/zinc/17/46/59/563174659.db2.gz PSQOZUDHTBPGRC-YBEGLDIGSA-N 0 0 431.242 3.381 1 0 IGAFRN CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1OCC(F)(F)F)Cc1cc2ccccc2nc1-3 ZINC000084672345 563175568 /nfs/dbraw/zinc/17/55/68/563175568.db2.gz ZWGWDGDINPFERC-SFTDATJTSA-N 0 0 432.398 3.458 1 0 IGAFRN COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccccc2F)C1=O ZINC000084690520 563176414 /nfs/dbraw/zinc/17/64/14/563176414.db2.gz JIJDXDMHZSENDI-FDFHNCONSA-N 0 0 444.503 3.049 1 0 IGAFRN O=C(/C=C/c1ccc(OCCCCCO[N+](=O)[O-])c(O)c1)OCCCCCO[N+](=O)[O-] ZINC000084732814 563178784 /nfs/dbraw/zinc/17/87/84/563178784.db2.gz UMKKQCFWVISMCR-CSKARUKUSA-N 0 0 442.421 3.085 1 0 IGAFRN Cc1cnc(NC(=O)c2cc3nn(C)cc3c(Oc3ccc(S(C)(=O)=O)cc3)c2)cn1 ZINC000095559593 563181988 /nfs/dbraw/zinc/18/19/88/563181988.db2.gz CEMHBKRKARYDIJ-UHFFFAOYSA-N 0 0 437.481 3.120 1 0 IGAFRN COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC000095566998 563183660 /nfs/dbraw/zinc/18/36/60/563183660.db2.gz KESAAMPFXQTKIS-VQTJNVASSA-N 0 0 445.560 3.092 3 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597292 563191818 /nfs/dbraw/zinc/19/18/18/563191818.db2.gz QCJXDDFKQKWSRI-MHECFPHRSA-N 0 0 445.487 3.247 1 0 IGAFRN O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccc(F)c1 ZINC000095603377 563193469 /nfs/dbraw/zinc/19/34/69/563193469.db2.gz OWCSYIOKNKVFDI-QFIPXVFZSA-N 0 0 443.438 3.318 3 0 IGAFRN CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn32)c1 ZINC000096169603 563195367 /nfs/dbraw/zinc/19/53/67/563195367.db2.gz YRCDOYLNWDMYBP-UHFFFAOYSA-N 0 0 449.536 3.380 1 0 IGAFRN COCCC[C@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O ZINC000085592990 291356714 /nfs/dbraw/zinc/35/67/14/291356714.db2.gz DMYFUDDBZJBVLC-JXIQEMPDSA-N 0 0 430.497 3.283 1 0 biogenic,in-vitro IGAFRN CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)C[C@H](CO)C[NH2+]C)[C@H](O)C1 ZINC000085492819 291355002 /nfs/dbraw/zinc/35/50/02/291355002.db2.gz SOCUTXCGCKGNTM-PYYGYTMVSA-N 0 0 427.626 3.350 1 0 biogenic,in-vitro IGAFRN COc1cc2c(c(OC)c1OC)C1=C(C=C(OC)[C@@H](OC)[C@H]1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000070455334 291356306 /nfs/dbraw/zinc/35/63/06/291356306.db2.gz AIYHSCPSKCGBNX-NCUHEXLKSA-N 0 0 434.529 3.373 1 0 biogenic,in-vitro IGAFRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)c1cccs1 ZINC000013152803 556492691 /nfs/dbraw/zinc/49/26/91/556492691.db2.gz AZVWOTWGCYDHKK-ATNYCFDYSA-N 0 0 440.908 3.449 1 0 IGAFRN COC(=O)CCc1cc2c(c(OC)c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C(=O)OC ZINC000001645368 562923639 /nfs/dbraw/zinc/92/36/39/562923639.db2.gz VYPDDYLRLTWJLX-SFTDATJTSA-N 0 0 430.453 3.208 1 0 IGAFRN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000003050246 562932249 /nfs/dbraw/zinc/93/22/49/562932249.db2.gz LLOVZZQTEMGSEW-UHFFFAOYSA-N 0 0 449.576 3.436 3 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4c(ccc5ccccc54)O3)O2)c(=O)[nH]c1=O ZINC000003596701 562936690 /nfs/dbraw/zinc/93/66/90/562936690.db2.gz KGWFETRZCYQEIS-BEPTXZQMSA-N 0 0 442.364 3.186 1 0 IGAFRN COC(=O)C[C@H]([C@@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000005835637 562945027 /nfs/dbraw/zinc/94/50/27/562945027.db2.gz GFQPDPJYPJHRKN-KCZVDYSFSA-N 0 0 439.464 3.060 1 0 IGAFRN COc1ccccc1[C@@H]1CC(=O)C[C@@H](c2ccccc2OC)C12C(=O)NC(=S)NC2=O ZINC000005924755 562945456 /nfs/dbraw/zinc/94/54/56/562945456.db2.gz POMVPHZAPHHHIS-IRXDYDNUSA-N 0 0 438.505 3.292 1 0 IGAFRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Nc5c(cnn5S(C)(=O)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000006004515 562945667 /nfs/dbraw/zinc/94/56/67/562945667.db2.gz KBNGFJCZEJFHKW-MEOCLINRSA-N 0 0 435.590 3.202 1 0 IGAFRN CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc1 ZINC000006578203 562948041 /nfs/dbraw/zinc/94/80/41/562948041.db2.gz FOYMPEJQCJYFRS-UHFFFAOYSA-N 0 0 437.521 3.477 3 0 IGAFRN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 ZINC000008605840 562956844 /nfs/dbraw/zinc/95/68/44/562956844.db2.gz VQLITVQSUYWZPF-MRXNPFEDSA-N 0 0 443.525 3.284 1 0 IGAFRN O=C(Cc1cccs1)N(c1cccnc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000008672791 562961070 /nfs/dbraw/zinc/96/10/70/562961070.db2.gz AZDIDEVIEGEAEJ-UGKGYDQZSA-N 0 0 436.537 3.150 3 0 IGAFRN O=C(Cc1cccs1)N(c1cccnc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccnc1 ZINC000008673009 562961133 /nfs/dbraw/zinc/96/11/33/562961133.db2.gz AZDIDEVIEGEAEJ-DENIHFKCSA-N 0 0 436.537 3.150 3 0 IGAFRN Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc1 ZINC000009678277 562975448 /nfs/dbraw/zinc/97/54/48/562975448.db2.gz JSOPASOVLOQIMV-UHFFFAOYSA-N 0 0 437.565 3.303 3 0 IGAFRN CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(Cl)c1F)C2 ZINC000011785386 562979250 /nfs/dbraw/zinc/97/92/50/562979250.db2.gz COJKXXXSQCIXSK-UHFFFAOYSA-N 0 0 439.940 3.210 1 0 IGAFRN O=S(=O)(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 ZINC000012069077 562980619 /nfs/dbraw/zinc/98/06/19/562980619.db2.gz GECSMEHFOVHAAO-UHFFFAOYSA-N 0 0 427.545 3.470 1 0 IGAFRN COc1ccc(-c2[nH]nc3c2C(=O)c2c-3cccc2NC(=O)CN2CCSCC2)cc1 ZINC000013492131 562990613 /nfs/dbraw/zinc/99/06/13/562990613.db2.gz GTAZDNZBVNYMQW-UHFFFAOYSA-N 0 0 434.521 3.284 1 0 IGAFRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1ccccc1)Nc1nccs1 ZINC000013501614 562990975 /nfs/dbraw/zinc/99/09/75/562990975.db2.gz NCDDUAXWTSNCJS-UHFFFAOYSA-N 0 0 436.537 3.207 3 0 IGAFRN COc1cc(Cc2cnc(N)nc2N)ccc1OCCCOCCCOc1ccccc1 ZINC000013532909 562992151 /nfs/dbraw/zinc/99/21/51/562992151.db2.gz JPRNWMXRFQENNV-UHFFFAOYSA-N 0 0 438.528 3.495 1 0 IGAFRN NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2Cl)cc1CO ZINC000013589019 562996137 /nfs/dbraw/zinc/99/61/37/562996137.db2.gz DEOMPFWIGOOQMC-UHFFFAOYSA-N 0 0 431.823 3.351 1 0 IGAFRN COCOc1cc(OC)ccc1C[S@](=O)c1ncccc1C(=O)Nc1ccncc1 ZINC000013605348 562997307 /nfs/dbraw/zinc/99/73/07/562997307.db2.gz KGAUOXRYXIAKQV-SSEXGKCCSA-N 0 0 427.482 3.028 1 0 IGAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000013607517 562997460 /nfs/dbraw/zinc/99/74/60/562997460.db2.gz OBSYBRPAKCASQB-FBCTZMOOSA-N 0 0 432.469 3.000 1 0 in-vivo IGAFRN Cc1cc(N2CCOCC2)ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O ZINC000013673231 563000191 /nfs/dbraw/zinc/00/01/91/563000191.db2.gz OYFFEZUIIXCYJD-HNNXBMFYSA-N 0 0 435.933 3.302 1 0 IGAFRN COc1cc2c(c(C(C)C)c1)C(=O)N(COc1cc(=O)oc3ccccc13)S2(=O)=O ZINC000013744337 563003700 /nfs/dbraw/zinc/00/37/00/563003700.db2.gz SGPCEYHONDSVHD-UHFFFAOYSA-N 0 0 429.450 3.106 1 0 IGAFRN COC(=O)[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3)C(C)C ZINC000013817472 563009588 /nfs/dbraw/zinc/00/95/88/563009588.db2.gz RWMMCDPDRMGRQF-AOMKIAJQSA-N 0 0 437.540 3.475 1 0 IGAFRN O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000013831758 563011218 /nfs/dbraw/zinc/01/12/18/563011218.db2.gz FCAHXJUFTOBKKG-QFIPXVFZSA-N 0 0 432.432 3.068 1 0 IGAFRN Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 ZINC000013859892 563012480 /nfs/dbraw/zinc/01/24/80/563012480.db2.gz QAPJOZONDSMYPF-NRFANRHFSA-N 0 0 442.581 3.409 1 0 IGAFRN CN1CCN(C(=O)c2ccc3cc(-c4csc(-c5ccncc5)n4)c(=O)[nH]c3c2)CC1 ZINC000014974728 563016798 /nfs/dbraw/zinc/01/67/98/563016798.db2.gz GFPPBUZAOLMYKX-UHFFFAOYSA-N 0 0 431.521 3.101 1 0 IGAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N3C(=O)N(c4ccc(C)cc4)C(=O)[C@@]3(C)[C@H]2C1=O ZINC000015936623 563018864 /nfs/dbraw/zinc/01/88/64/563018864.db2.gz DLKMPAOBEXBBKV-KYCQWFEFSA-N 0 0 431.492 3.207 3 0 IGAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C)C(=O)N(c3cccc(F)c3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000015936662 563018971 /nfs/dbraw/zinc/01/89/71/563018971.db2.gz HFYCUMXNTRHGJX-ZVVFGRKBSA-N 0 0 435.455 3.037 3 0 IGAFRN COc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1 ZINC000015952243 563020341 /nfs/dbraw/zinc/02/03/41/563020341.db2.gz XHGBZSUBVIBCQZ-INIZCTEOSA-N 0 0 430.505 3.157 3 0 IGAFRN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000020586792 563025071 /nfs/dbraw/zinc/02/50/71/563025071.db2.gz CTIVVQXJCPHESZ-OAHLLOKOSA-N 0 0 431.539 3.493 1 0 IGAFRN Brc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc32)c1 ZINC000021289232 563025311 /nfs/dbraw/zinc/02/53/11/563025311.db2.gz RHIKOEXNOGXDPV-UHFFFAOYSA-N 0 0 429.322 3.275 1 0 IGAFRN CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(N)c1 ZINC000026652903 563034718 /nfs/dbraw/zinc/03/47/18/563034718.db2.gz YNQUJYRDYTVQDN-MRXNPFEDSA-N 0 0 430.313 3.081 1 0 IGAFRN Nc1ccc(/C=C/C(=O)N[C@@H](NC(=S)Nc2ccccn2)C(Cl)(Cl)Cl)cc1 ZINC000028341376 563052883 /nfs/dbraw/zinc/05/28/83/563052883.db2.gz BSRBASCABIZHLQ-PPYMECGQSA-N 0 0 444.775 3.476 1 0 IGAFRN C[C@]12CC[C@@H]3c4cc(Br)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000028464529 563055297 /nfs/dbraw/zinc/05/52/97/563055297.db2.gz LCTDWKXSEKLVNB-JPVZDGGYSA-N 0 0 428.348 3.457 1 0 IGAFRN CCOC(=O)CN1C(=O)N(CCCc2c[nH]cn2)C(=O)[C@]1(C)c1cccc2ccccc21 ZINC000028571981 563059469 /nfs/dbraw/zinc/05/94/69/563059469.db2.gz QHMLQIYABICDHY-DEOSSOPVSA-N 0 0 434.496 3.238 1 0 IGAFRN COc1ccc(CCN2C=CC=C3C2=Nc2cc(OC)ccc2N(C)S3(=O)=O)cc1 ZINC000028638704 563059980 /nfs/dbraw/zinc/05/99/80/563059980.db2.gz GNORDWRUKJXKIY-UHFFFAOYSA-N 0 0 425.510 3.469 1 0 IGAFRN O=C(NCc1ccc(F)cc1)c1nc([C@H](c2ccccc2)N2CCCCC2)[nH]c(=O)c1O ZINC000028642855 563060612 /nfs/dbraw/zinc/06/06/12/563060612.db2.gz CQSSVTXTBYQQIA-FQEVSTJZSA-N 0 0 436.487 3.120 1 0 IGAFRN Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@H](O)c4cccc(O)c4)cc[nH]c3=O)[nH]c21 ZINC000028703508 563061679 /nfs/dbraw/zinc/06/16/79/563061679.db2.gz NVXUNXUNXWQVAY-FQEVSTJZSA-N 0 0 442.479 3.263 1 0 IGAFRN Cc1cc(-n2ccnc2)cc2nc(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)[nH]c21 ZINC000028703656 563061818 /nfs/dbraw/zinc/06/18/18/563061818.db2.gz QYHQSWFHKDOPJR-SFHVURJKSA-N 0 0 440.507 3.428 1 0 IGAFRN Cc1cc(C(N)=O)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000028703671 563061837 /nfs/dbraw/zinc/06/18/37/563061837.db2.gz RWTQXCQZLXMHMX-QGZVFWFLSA-N 0 0 437.887 3.124 1 0 IGAFRN CCCN(C(=O)CCCCC[NH3+])C1=C(C)C[C@H](c2ccccc2)N(CCC(=O)[O-])C1=O ZINC000028869401 563067395 /nfs/dbraw/zinc/06/73/95/563067395.db2.gz MJSZJOKVUNPGJV-HXUWFJFHSA-N 0 0 429.561 3.466 1 0 IGAFRN CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CCc1c[nH]c2ccccc12 ZINC000028872426 563067527 /nfs/dbraw/zinc/06/75/27/563067527.db2.gz IYJWEWDJSIZCDN-UHFFFAOYSA-N 0 0 434.544 3.114 1 0 IGAFRN CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccccc1 ZINC000028895032 563068707 /nfs/dbraw/zinc/06/87/07/563068707.db2.gz NRABXXLHOILLKP-PKOBYXMFSA-N 0 0 443.931 3.327 1 0 IGAFRN CN(C)C(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F ZINC000028968957 563071118 /nfs/dbraw/zinc/07/11/18/563071118.db2.gz FSNNQBYXUIYUKX-UHFFFAOYSA-N 0 0 443.317 3.353 1 0 IGAFRN CCSC[C@H]1C[C@](O)(c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)C(=O)O1 ZINC000029038262 563071720 /nfs/dbraw/zinc/07/17/20/563071720.db2.gz QLBXWOOOPDBBRD-ZHRRBRCNSA-N 0 0 445.562 3.443 1 0 IGAFRN O=C(Cc1ccc(Br)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc21 ZINC000029041398 563072045 /nfs/dbraw/zinc/07/20/45/563072045.db2.gz WSNJGDJRGNRVDV-UHFFFAOYSA-N 0 0 449.330 3.047 1 0 IGAFRN CCCCn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O ZINC000029055841 563073365 /nfs/dbraw/zinc/07/33/65/563073365.db2.gz LHJFJDSBEAOBSD-UHFFFAOYSA-N 0 0 446.433 3.154 1 0 IGAFRN CC[C@H](C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O ZINC000029478418 563080914 /nfs/dbraw/zinc/08/09/14/563080914.db2.gz UHUIYQVVRQZLAU-ZDUSSCGKSA-N 0 0 429.527 3.070 1 0 IGAFRN OC[C@H]1O[C@@H](n2cnc3c2nc(Nc2cc(Cl)cc(Cl)c2)nc3Cl)C[C@@H]1O ZINC000029482587 563081211 /nfs/dbraw/zinc/08/12/11/563081211.db2.gz LUUYTTSVELCZEL-QJPTWQEYSA-N 0 0 430.679 3.171 1 0 IGAFRN CC(C)c1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 ZINC000032052307 563083999 /nfs/dbraw/zinc/08/39/99/563083999.db2.gz HFPIAZZCXLZSFQ-UEYKPMBOSA-N 0 0 448.600 3.019 1 0 IGAFRN COc1ccc(-c2cc(C(=O)N[C@H]3CCCCNC3=O)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833524 563088153 /nfs/dbraw/zinc/08/81/53/563088153.db2.gz ZMKKHNFRFYVGBA-KRWDZBQOSA-N 0 0 435.528 3.101 1 0 IGAFRN O=C(Nc1ccc(N2CCOCC2)cc1)c1nnc(NC(=O)c2ccc(Cl)cc2)o1 ZINC000034842604 563088287 /nfs/dbraw/zinc/08/82/87/563088287.db2.gz PWQXCYLQJXYHMK-UHFFFAOYSA-N 0 0 427.848 3.064 1 0 IGAFRN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)oc1c3ncnc1NCc1cccnc1 ZINC000034986641 563088706 /nfs/dbraw/zinc/08/87/06/563088706.db2.gz DFDQXLVQMVNGEE-UHFFFAOYSA-N 0 0 446.511 3.466 1 0 IGAFRN COC(=O)c1ccccc1C(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000036330640 563092873 /nfs/dbraw/zinc/09/28/73/563092873.db2.gz OCFOPNVRCYYBBM-UHFFFAOYSA-N 0 0 439.556 3.346 1 0 IGAFRN COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc2c(c1)OCO2 ZINC000036384329 563094293 /nfs/dbraw/zinc/09/42/93/563094293.db2.gz PDCQIEGOYIHVRS-DOTOQJQBSA-N 0 0 439.468 3.093 3 0 IGAFRN Cc1cccc(NC(=O)c2nc[nH]c2C(=O)NCCCCCNC(=O)OC(C)(C)C)c1 ZINC000036387748 563094730 /nfs/dbraw/zinc/09/47/30/563094730.db2.gz BYLBJPDQAACGOU-UHFFFAOYSA-N 0 0 429.521 3.395 3 0 IGAFRN C[C@@H](Nc1nc(N)nc(-c2cccc(C[C@H]([NH3+])C(=O)[O-])c2)n1)c1ccc2ccccc2c1 ZINC000040393078 563100148 /nfs/dbraw/zinc/10/01/48/563100148.db2.gz ZBHARZHGNFBVLK-VLIAUNLRSA-N 0 0 428.496 3.402 1 0 IGAFRN CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc32)n1 ZINC000040394451 563100451 /nfs/dbraw/zinc/10/04/51/563100451.db2.gz LORYRGKPUUNITH-UHFFFAOYSA-N 0 0 448.483 3.258 1 0 IGAFRN Cc1nc(-c2ccccn2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl ZINC000040403001 563100965 /nfs/dbraw/zinc/10/09/65/563100965.db2.gz QFJVHPITXVDDIL-UHFFFAOYSA-N 0 0 429.933 3.011 1 0 IGAFRN O=c1[nH]c2c(s1)c(CC[NH2+]CCCSCCOCCc1ccccn1)ccc2[O-] ZINC000040475209 563104035 /nfs/dbraw/zinc/10/40/35/563104035.db2.gz MKDMLTIBBAPWDS-UHFFFAOYSA-N 0 0 433.599 3.205 1 0 IGAFRN COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc21 ZINC000040552091 563104503 /nfs/dbraw/zinc/10/45/03/563104503.db2.gz FFSZJFKBYPFJNE-UHFFFAOYSA-N 0 0 438.484 3.214 1 0 IGAFRN NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCC3)cc1CO ZINC000040565462 563104887 /nfs/dbraw/zinc/10/48/87/563104887.db2.gz ANISVNNDDWLPPC-UHFFFAOYSA-N 0 0 437.443 3.187 1 0 IGAFRN COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(=O)[nH]2)cc1 ZINC000040848625 563107876 /nfs/dbraw/zinc/10/78/76/563107876.db2.gz AEYUZJJPOBWLNN-UHFFFAOYSA-N 0 0 447.491 3.118 1 0 IGAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccoc1)n2CCC(N)=O ZINC000040863119 563108502 /nfs/dbraw/zinc/10/85/02/563108502.db2.gz IRMXYUDLJRENSZ-UHFFFAOYSA-N 0 0 431.452 3.034 1 0 IGAFRN CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl ZINC000043016418 563116856 /nfs/dbraw/zinc/11/68/56/563116856.db2.gz QUCCPIOKDMLPGG-UHFFFAOYSA-N 0 0 449.400 3.352 1 0 IGAFRN CCc1nnc2c(C(=O)N(CC)CC)c(N(CC)C(=O)c3cccnc3)c3cccnc3n12 ZINC000040956423 563114727 /nfs/dbraw/zinc/11/47/27/563114727.db2.gz IFOUTNFOZHCRNR-UHFFFAOYSA-N 0 0 445.527 3.384 1 0 IGAFRN COc1cc(-c2cc(C)no2)ccc1C(=O)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC000043016747 563116871 /nfs/dbraw/zinc/11/68/71/563116871.db2.gz GOQBYIPQCZDQIT-QGZVFWFLSA-N 0 0 447.491 3.214 1 0 IGAFRN CN1C(=N)N[C@@](c2ccc(OC(F)(F)F)cc2)(c2ccc(F)c(-c3cncnc3)c2)C1=O ZINC000043103532 563118624 /nfs/dbraw/zinc/11/86/24/563118624.db2.gz RNJTYVPMRSKRKE-FQEVSTJZSA-N 0 0 445.376 3.421 1 0 IGAFRN NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccnc3N)cc1-2 ZINC000045335423 563131295 /nfs/dbraw/zinc/13/12/95/563131295.db2.gz YLPODTNJULRBKP-UHFFFAOYSA-N 0 0 442.454 3.105 1 0 IGAFRN Cc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1=O ZINC000045385858 563133846 /nfs/dbraw/zinc/13/38/46/563133846.db2.gz NIDUKJJGNGSXIT-QFIPXVFZSA-N 0 0 440.503 3.071 1 0 IGAFRN CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(CN4CCOCC4)cc3)n2)cc1 ZINC000049014335 563135340 /nfs/dbraw/zinc/13/53/40/563135340.db2.gz SQBKHFJXBMLBCK-UHFFFAOYSA-N 0 0 439.541 3.091 1 0 IGAFRN C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033464 563135935 /nfs/dbraw/zinc/13/59/35/563135935.db2.gz ZHQUHDHFPDBIHU-CAIFHESVSA-N 0 0 430.541 3.398 1 0 IGAFRN CNC(=O)C1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1 ZINC000049071057 563137784 /nfs/dbraw/zinc/13/77/84/563137784.db2.gz ZRKZIMDILYYGSD-NRFANRHFSA-N 0 0 432.524 3.074 1 0 IGAFRN CC(C)(C)c1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 ZINC000049071811 563137867 /nfs/dbraw/zinc/13/78/67/563137867.db2.gz BXNCZSLAPQETHQ-BDHVOXNPSA-N 0 0 437.001 3.460 1 0 IGAFRN COC(=O)n1[nH]c(=O)c(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)c(F)c1 ZINC000049113344 563138567 /nfs/dbraw/zinc/13/85/67/563138567.db2.gz DLDVIZGGNOVYBM-UHFFFAOYSA-N 0 0 432.404 3.298 1 0 IGAFRN CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2c(C(F)(F)F)c1C3 ZINC000053298720 563142032 /nfs/dbraw/zinc/14/20/32/563142032.db2.gz VZLXVKJZIVPFQI-NRFANRHFSA-N 0 0 430.382 3.489 1 0 IGAFRN CC(C)OC(=O)N1CCC[C@@H](Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1 ZINC000059068241 563146168 /nfs/dbraw/zinc/14/61/68/563146168.db2.gz DRWSBUQCWOFAFF-GOSISDBHSA-N 0 0 448.541 3.019 1 0 IGAFRN CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)no1 ZINC000061905920 563148479 /nfs/dbraw/zinc/14/84/79/563148479.db2.gz OMQZKPXINSHKAL-HNNXBMFYSA-N 0 0 432.329 3.398 3 0 IGAFRN COc1ccc(CCCNC(=O)[C@]2(C)Cc3c(nccc3-c3cccc(C(N)=O)c3)O2)cc1 ZINC000061907340 563148735 /nfs/dbraw/zinc/14/87/35/563148735.db2.gz LNFCSBUGOFBKML-SANMLTNESA-N 0 0 445.519 3.299 3 0 IGAFRN CC(=O)Nc1cc(-c2cccc(C(=O)NCCO)c2)cn2c(-c3ccc(F)cc3)cnc12 ZINC000061929763 563150485 /nfs/dbraw/zinc/15/04/85/563150485.db2.gz VJXMQLRYELKODQ-UHFFFAOYSA-N 0 0 432.455 3.488 3 0 IGAFRN CCc1ccc(NC2=C(Cl)C(=O)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000064258230 563152568 /nfs/dbraw/zinc/15/25/68/563152568.db2.gz ZYPBIQLIMWRWCZ-UHFFFAOYSA-N 0 0 436.899 3.483 1 0 IGAFRN COc1cc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)CO)cc(OC)c1OC ZINC000064373138 563152805 /nfs/dbraw/zinc/15/28/05/563152805.db2.gz VUFJWXNMVIRIAR-INIZCTEOSA-N 0 0 449.301 3.145 1 0 IGAFRN CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3cnc(-c4ccsc4)nc3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064560069 563156158 /nfs/dbraw/zinc/15/61/58/563156158.db2.gz RKINBQSFJNTDGP-ADAARDCZSA-N 0 0 446.956 3.382 1 0 IGAFRN CC(C)(C)OC(=O)CN1CCC(CNC(=O)c2c3ccccc3n3c2OCCC3)CC1 ZINC000066251417 563159966 /nfs/dbraw/zinc/15/99/66/563159966.db2.gz FKPXNPDXTUQVRM-UHFFFAOYSA-N 0 0 427.545 3.207 1 0 IGAFRN O=c1[nH]n2c(nnc2-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)s1 ZINC000066251692 563160020 /nfs/dbraw/zinc/16/00/20/563160020.db2.gz XRHFEXJBFQYXBR-UHFFFAOYSA-N 0 0 437.300 3.154 1 0 IGAFRN COc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2cc(C)on2)c2ccccc21 ZINC000071330133 563162462 /nfs/dbraw/zinc/16/24/62/563162462.db2.gz LGUWEMMOUCFYBY-UHFFFAOYSA-N 0 0 439.493 3.407 1 0 IGAFRN COc1cc(N2CCNC(=O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1 ZINC000072176997 563165873 /nfs/dbraw/zinc/16/58/73/563165873.db2.gz MMJIWYMCQKGGQO-UHFFFAOYSA-N 0 0 449.902 3.133 1 0 IGAFRN C[C@@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000073297126 563172152 /nfs/dbraw/zinc/17/21/52/563172152.db2.gz OLPSTWWOAPXNKC-CVDCTZTESA-N 0 0 430.504 3.389 1 0 IGAFRN CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000084703576 563176588 /nfs/dbraw/zinc/17/65/88/563176588.db2.gz HXWODBIVTGXTOT-UHFFFAOYSA-N 0 0 438.557 3.343 1 0 IGAFRN O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1 ZINC000095557921 563181718 /nfs/dbraw/zinc/18/17/18/563181718.db2.gz GDYSINUURRPNLP-UHFFFAOYSA-N 0 0 446.559 3.456 1 0 IGAFRN CCOC(=O)C[C@H]1c2cc(-c3cc(OC)cc(OC)c3)ccc2OC(N)=C1C(=O)OC ZINC000095558827 563181891 /nfs/dbraw/zinc/18/18/91/563181891.db2.gz UIXDRRQDAABLPO-SFHVURJKSA-N 0 0 427.453 3.143 1 0 IGAFRN CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cc(C)ccc2C)CC1 ZINC000095566141 563183385 /nfs/dbraw/zinc/18/33/85/563183385.db2.gz YLHTXDWJVYTSNI-HXUWFJFHSA-N 0 0 434.544 3.324 3 0 IGAFRN Cc1ccccc1CN1C(=O)c2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095568864 563184011 /nfs/dbraw/zinc/18/40/11/563184011.db2.gz HWZIMQSJVGNQHV-HSZRJFAPSA-N 0 0 439.475 3.487 3 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095595305 563191319 /nfs/dbraw/zinc/19/13/19/563191319.db2.gz VHKZPGOVNGOHPJ-GAJHUEQPSA-N 0 0 431.460 3.205 1 0 IGAFRN Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccnc(N4C[C@@H](C)[NH2+][C@@H](C)C4)n3)cc2F)o1 ZINC000095598584 563192178 /nfs/dbraw/zinc/19/21/78/563192178.db2.gz XPVALBXVQVNPIO-OKILXGFUSA-N 0 0 445.520 3.172 1 0 IGAFRN COc1ccc2c(c1)n(C)c1c2C2(CN(C)C2)CN(C(=O)Nc2cccc(F)c2)[C@H]1CO ZINC000095868703 563194663 /nfs/dbraw/zinc/19/46/63/563194663.db2.gz GPNMEXOZQNVNTB-FQEVSTJZSA-N 0 0 438.503 3.090 1 0 IGAFRN Cc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(C)c3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000096274107 563197020 /nfs/dbraw/zinc/19/70/20/563197020.db2.gz FTXDIDQGGXAUGE-SFHVURJKSA-N 0 0 448.567 3.237 1 0 IGAFRN COc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000013411709 291357544 /nfs/dbraw/zinc/35/75/44/291357544.db2.gz PIYHDSUVUSVLGU-SRGWNRLKSA-N 0 0 448.512 3.104 1 0 endogenous,in-man IGAFRN Cc1cccc(N2CCN(C(=O)[C@H](C)n3nc(C)n4c5ccoc5cc4c3=O)CC2)c1C ZINC000008611169 132288419 /nfs/dbraw/zinc/28/84/19/132288419.db2.gz ZVPHWYCMLIEDTD-KRWDZBQOSA-N 0 0 433.512 3.077 3 0 IGAFRN Cc1nn([C@H](C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n21 ZINC000008611165 132288428 /nfs/dbraw/zinc/28/84/28/132288428.db2.gz JCRNRWQQVWLBAP-CQSZACIVSA-N 0 0 439.903 3.114 1 0 IGAFRN Cc1nn([C@@H](C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n21 ZINC000008611163 132288459 /nfs/dbraw/zinc/28/84/59/132288459.db2.gz JCRNRWQQVWLBAP-AWEZNQCLSA-N 0 0 439.903 3.114 1 0 IGAFRN COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(N)n2)cc1 ZINC000000593145 562918455 /nfs/dbraw/zinc/91/84/55/562918455.db2.gz XGABLOCLVRMQOH-UHFFFAOYSA-N 0 0 446.507 3.407 1 0 IGAFRN O=S(=O)(c1ccc(Br)cc1)N1CCCN(Cc2ccccc2F)CC1 ZINC000002455697 562927857 /nfs/dbraw/zinc/92/78/57/562927857.db2.gz OAAOXKKWBFZCSK-UHFFFAOYSA-N 0 0 427.339 3.485 3 0 IGAFRN CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000002954147 562931194 /nfs/dbraw/zinc/93/11/94/562931194.db2.gz MSPFRPFLTDAVLJ-UHFFFAOYSA-N 0 0 435.634 3.142 3 0 IGAFRN O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000003006272 562931521 /nfs/dbraw/zinc/93/15/21/562931521.db2.gz COQGSZNGRRVBSV-UHFFFAOYSA-N 0 0 440.906 3.442 3 0 IGAFRN O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)N1CCC2(CC1)OCCO2 ZINC000003063309 562932414 /nfs/dbraw/zinc/93/24/14/562932414.db2.gz ACECVLFYPXUCDT-UHFFFAOYSA-N 0 0 428.916 3.023 3 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1)c1c[nH]c2ccccc12 ZINC000003591502 562936669 /nfs/dbraw/zinc/93/66/69/562936669.db2.gz ZTPOIAUGOSIZGJ-UHFFFAOYSA-N 0 0 440.297 3.098 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000003637025 562937154 /nfs/dbraw/zinc/93/71/54/562937154.db2.gz YBHBUGPAORYSHF-YSZKKOMBSA-N 0 0 448.412 3.330 1 0 IGAFRN Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cc4ccccc4cn1)C(=O)N3CC2 ZINC000003827877 562938984 /nfs/dbraw/zinc/93/89/84/562938984.db2.gz NMHVGUIPQDKNJJ-VWLOTQADSA-N 0 0 447.498 3.313 1 0 IGAFRN NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1c(F)cccc1F ZINC000003937790 562939510 /nfs/dbraw/zinc/93/95/10/562939510.db2.gz KJXQRRSXUAURNM-UHFFFAOYSA-N 0 0 440.454 3.046 1 0 IGAFRN COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3cccc(OC)c3)nc21 ZINC000004238208 562942748 /nfs/dbraw/zinc/94/27/48/562942748.db2.gz PZXKTSPSXMUQAQ-UHFFFAOYSA-N 0 0 433.468 3.261 1 0 IGAFRN COc1cc([C@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000006001870 562945588 /nfs/dbraw/zinc/94/55/88/562945588.db2.gz RATAWNZIHFKITP-LJQANCHMSA-N 0 0 442.420 3.226 1 0 IGAFRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CCCO3)ccc2N2CCCC2)cc1 ZINC000009662201 562974842 /nfs/dbraw/zinc/97/48/42/562974842.db2.gz CKRUBPIAYOBZIY-HXUWFJFHSA-N 0 0 445.541 3.214 3 0 IGAFRN CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1 ZINC000012021879 562980264 /nfs/dbraw/zinc/98/02/64/562980264.db2.gz IXCYMQCLCFTHCE-IBGZPJMESA-N 0 0 445.523 3.152 1 0 IGAFRN COC(=O)Cc1c(/C=C/C(C)(C)n2cnc(CCN3C(=O)CCC3=O)c2)[nH]c2ccccc21 ZINC000013219778 562985637 /nfs/dbraw/zinc/98/56/37/562985637.db2.gz FYPKQWGFZJIQRS-ZRDIBKRKSA-N 0 0 448.523 3.220 1 0 IGAFRN COc1cccc(C(=O)NC2(C(=O)c3cc(C)cc(C)c3)CCS(=O)(=O)CC2)c1C ZINC000013490031 562990130 /nfs/dbraw/zinc/99/01/30/562990130.db2.gz VVRQROUJOMLDKY-UHFFFAOYSA-N 0 0 429.538 3.181 1 0 IGAFRN COc1cc2ncnc(N3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)c2cc1OC ZINC000013491498 562990433 /nfs/dbraw/zinc/99/04/33/562990433.db2.gz FFDNBPMZHAVDKK-UHFFFAOYSA-N 0 0 441.919 3.332 1 0 IGAFRN CCCn1c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000013554314 562993067 /nfs/dbraw/zinc/99/30/67/562993067.db2.gz YFHNPGIJDUGUBU-UHFFFAOYSA-N 0 0 449.486 3.033 1 0 IGAFRN CN1CCN(C(=O)C2=C[C@@H](c3csc4ccccc34)C[C@@H](OCCCCO)O2)CC1 ZINC000013656894 562999428 /nfs/dbraw/zinc/99/94/28/562999428.db2.gz WBDAOHPJAXLIHH-VGSWGCGISA-N 0 0 430.570 3.178 3 0 IGAFRN COCCN(CCOC)c1ncnc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794725 563007140 /nfs/dbraw/zinc/00/71/40/563007140.db2.gz CNGSXYJIBIWWGZ-UHFFFAOYSA-N 0 0 449.353 3.196 1 0 IGAFRN COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1SC ZINC000013794925 563007200 /nfs/dbraw/zinc/00/72/00/563007200.db2.gz VUGFSMBHPDZCSK-UHFFFAOYSA-N 0 0 430.578 3.463 1 0 IGAFRN C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@H](C)CN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000013804119 563008267 /nfs/dbraw/zinc/00/82/67/563008267.db2.gz UWKVXGPFWNKBSA-KCWFYHRYSA-N 0 0 427.250 3.368 1 0 IGAFRN CC[C@@H]1[C@@H](CC)N(c2nc(N)c3cc(OC)c(OC)cc3n2)CCN1C(=O)c1ccco1 ZINC000013826102 563010507 /nfs/dbraw/zinc/01/05/07/563010507.db2.gz XUILCHHAFRZYQV-IAGOWNOFSA-N 0 0 439.516 3.342 1 0 IGAFRN CC(C)(C)n1ncc2c1ncn(Cc1ccccc1CS(=O)(=O)c1ccccc1)c2=O ZINC000013831301 563011137 /nfs/dbraw/zinc/01/11/37/563011137.db2.gz TWYXLNHLUGDYQF-UHFFFAOYSA-N 0 0 436.537 3.370 1 0 IGAFRN O=C(NCCN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000014971821 563016622 /nfs/dbraw/zinc/01/66/22/563016622.db2.gz GDNNTWIIBVVEBQ-QFIPXVFZSA-N 0 0 447.551 3.112 1 0 IGAFRN CCn1c2c(c(C)nn2-c2ccc(C)cc2)c(C)c(CCC(=O)NC[C@H]2CCCO2)c1=O ZINC000015936571 563018882 /nfs/dbraw/zinc/01/88/82/563018882.db2.gz WCTYZDNVGMFVER-HXUWFJFHSA-N 0 0 436.556 3.360 3 0 IGAFRN COc1cccc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)CC2=O)c1 ZINC000016689620 563021033 /nfs/dbraw/zinc/02/10/33/563021033.db2.gz KDOLUAVWAORGHT-QGZVFWFLSA-N 0 0 434.492 3.075 3 0 IGAFRN COc1cc(-c2n[nH]cc2CN2CCN(Cc3cccs3)CC2)cc(OC)c1OC ZINC000022912998 563025702 /nfs/dbraw/zinc/02/57/02/563025702.db2.gz LDSQQVOLCJYRTN-UHFFFAOYSA-N 0 0 428.558 3.482 3 0 IGAFRN O=S(=O)(c1ccc(OC(F)(F)F)cc1)C(Cl)(Cl)S(=O)(=O)C(F)(F)F ZINC000026028666 563028841 /nfs/dbraw/zinc/02/88/41/563028841.db2.gz QJAXLQSZHVXVIB-UHFFFAOYSA-N 0 0 441.154 3.382 1 0 IGAFRN NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1 ZINC000026272420 563030476 /nfs/dbraw/zinc/03/04/76/563030476.db2.gz SFIKIQGRMIWSKG-APTRMMRNSA-N 0 0 446.551 3.014 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc5ccccc5cc4O3)O2)c(=O)[nH]c1=O ZINC000026726836 563035814 /nfs/dbraw/zinc/03/58/14/563035814.db2.gz QSRSOGPDZUJZCE-QBRPTEOTSA-N 0 0 442.364 3.186 1 0 IGAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)c1ncc[nH]1 ZINC000026827683 563037085 /nfs/dbraw/zinc/03/70/85/563037085.db2.gz DFURGTGXWAWNSJ-OALUTQOASA-N 0 0 428.533 3.464 1 0 IGAFRN CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CF ZINC000027298965 563041137 /nfs/dbraw/zinc/04/11/37/563041137.db2.gz JAVBZQAXUMDAIW-YADHBBJMSA-N 0 0 426.532 3.416 1 0 IGAFRN COc1c(N2CC[C@@](C)([NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3F)c21 ZINC000027524804 563043125 /nfs/dbraw/zinc/04/31/25/563043125.db2.gz GCPDXVLVYDEARA-JOCHJYFZSA-N 0 0 447.413 3.042 1 0 IGAFRN CCOC(=O)C1C=C2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(Br)cc2)=N1 ZINC000027901363 563048378 /nfs/dbraw/zinc/04/83/78/563048378.db2.gz UHBDWRSSIBRRKS-GDBMZVCRSA-N 0 0 439.265 3.405 1 0 IGAFRN O=c1ccn([C@H]2C=C[C@H](COP(=O)(Oc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]1 ZINC000028528784 563057272 /nfs/dbraw/zinc/05/72/72/563057272.db2.gz WTBYVSFHNKXXGR-UYAOXDASSA-N 0 0 442.364 3.273 1 0 IGAFRN CS(=O)(=O)N(Cc1cccc(F)c1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c21 ZINC000028954095 563070024 /nfs/dbraw/zinc/07/00/24/563070024.db2.gz GWNYHPWPLXZFSR-UHFFFAOYSA-N 0 0 432.260 3.041 1 0 IGAFRN CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@]3(C)CC[C@H]12 ZINC000028955959 563070252 /nfs/dbraw/zinc/07/02/52/563070252.db2.gz GWGVFGBCUMIJFX-CZIHTZFMSA-N 0 0 434.529 3.345 1 0 IGAFRN CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000029125826 563074468 /nfs/dbraw/zinc/07/44/68/563074468.db2.gz PBHPSVVNMPBTQA-QKFVEJEJSA-N 0 0 448.560 3.478 1 0 IGAFRN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000029125952 563074476 /nfs/dbraw/zinc/07/44/76/563074476.db2.gz GROJRJSDQTZSOV-QGZVFWFLSA-N 0 0 439.865 3.479 1 0 IGAFRN COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(OC)cc4)c(=O)c3c2)cc1 ZINC000029133334 563075958 /nfs/dbraw/zinc/07/59/58/563075958.db2.gz DOADCMDDDNIBIH-UHFFFAOYSA-N 0 0 429.476 3.392 1 0 IGAFRN Cc1nc2cc(Cl)ccc2c(=O)n1[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029553818 563081982 /nfs/dbraw/zinc/08/19/82/563081982.db2.gz NTVCMMFTYHMELP-XUSGNXJCSA-N 0 0 445.857 3.377 1 0 IGAFRN COc1cccc2c1CC[C@@H]1C[N@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@H]21 ZINC000034800975 563087340 /nfs/dbraw/zinc/08/73/40/563087340.db2.gz WIRHRVAPDHCAEN-BEFAXECRSA-N 0 0 430.508 3.254 1 0 IGAFRN CCC(=O)O[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000036221549 563092132 /nfs/dbraw/zinc/09/21/32/563092132.db2.gz UPFVFWZGNRKYFG-CKYUGBRGSA-N 0 0 446.496 3.390 1 0 IGAFRN O=S(=O)(c1nccs1)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000036382069 563093832 /nfs/dbraw/zinc/09/38/32/563093832.db2.gz WJGVUTOBZVXTBL-UHFFFAOYSA-N 0 0 443.579 3.326 1 0 IGAFRN CCCC(=O)O[C@]1(C(=O)CO)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C ZINC000036385188 563094402 /nfs/dbraw/zinc/09/44/02/563094402.db2.gz BMCQMVFGOVHVNG-ODQAKHOUSA-N 0 0 432.557 3.133 1 0 IGAFRN COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036388482 563094869 /nfs/dbraw/zinc/09/48/69/563094869.db2.gz GYCQWTGCPSQMAI-WMLDXEAASA-N 0 0 440.418 3.201 3 0 IGAFRN O=C(NCc1ccc(F)cc1)N1CCN2[C@@H](C1)C(=O)OC2(c1ccccc1)c1ccccc1 ZINC000038142195 563096089 /nfs/dbraw/zinc/09/60/89/563096089.db2.gz OFXXHUFGFRCOAG-QHCPKHFHSA-N 0 0 445.494 3.480 1 0 IGAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3c2cccc3F)CC1)NC(=O)c1ccc(F)c(F)c1 ZINC000040423413 563102699 /nfs/dbraw/zinc/10/26/99/563102699.db2.gz XJRPOXWRHJABGE-ZDUSSCGKSA-N 0 0 432.446 3.202 1 0 IGAFRN COc1ccc(OCCCO)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000040861933 563108198 /nfs/dbraw/zinc/10/81/98/563108198.db2.gz STXVAWQIESPKLQ-UHFFFAOYSA-N 0 0 440.363 3.143 1 0 IGAFRN NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 ZINC000040895954 563110405 /nfs/dbraw/zinc/11/04/05/563110405.db2.gz RIHKRDVFSOWGFA-NRFANRHFSA-N 0 0 426.476 3.247 1 0 IGAFRN CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 ZINC000043068157 563117984 /nfs/dbraw/zinc/11/79/84/563117984.db2.gz KRHOGWJSAPPEKV-UHFFFAOYSA-N 0 0 449.400 3.352 1 0 IGAFRN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000040934052 563112275 /nfs/dbraw/zinc/11/22/75/563112275.db2.gz CSOPRORDYFJSBJ-YGLIYXGISA-N 0 0 438.509 3.379 1 0 IGAFRN O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000045193333 563124106 /nfs/dbraw/zinc/12/41/06/563124106.db2.gz KFGDCEFXHBZSLH-QGZVFWFLSA-N 0 0 436.447 3.488 1 0 IGAFRN CC1(C)C[C@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2ccccc2O1 ZINC000045285002 563128182 /nfs/dbraw/zinc/12/81/82/563128182.db2.gz GOJFZGPPJFXDMX-NRFANRHFSA-N 0 0 429.498 3.444 1 0 IGAFRN COc1cc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c(Br)c(OC)c1OC ZINC000045323536 563130747 /nfs/dbraw/zinc/13/07/47/563130747.db2.gz OCDMVJKCTRTJSD-UHFFFAOYSA-N 0 0 448.321 3.185 1 0 IGAFRN COc1ccc(NC(=O)Nc2cccc(-c3nc4c(ncn4C)c(NCCCO)n3)c2)cc1 ZINC000049037410 563136524 /nfs/dbraw/zinc/13/65/24/563136524.db2.gz KCCHSJUVZNDWIM-UHFFFAOYSA-N 0 0 447.499 3.477 1 0 IGAFRN CC[C@H]1/C(=C/c2cccc(C(F)(F)F)c2)[n+]2cccc(OCC(=O)[O-])c2C1CC(N)=O ZINC000053650915 563142192 /nfs/dbraw/zinc/14/21/92/563142192.db2.gz FPFLRSLQHBTVQP-DISPHTKASA-N 0 0 434.414 3.292 1 0 IGAFRN O=C(Cn1nc(C2CCC(F)(F)CC2)c2cnccc2c1=O)NC1Cc2ccccc2C1 ZINC000058468173 563143527 /nfs/dbraw/zinc/14/35/27/563143527.db2.gz HTQKPVVITWAUOK-UHFFFAOYSA-N 0 0 438.478 3.368 1 0 IGAFRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860185 563146808 /nfs/dbraw/zinc/14/68/08/563146808.db2.gz PKCCKZIQHMGGEH-FUHWJXTLSA-N 0 0 427.578 3.125 3 0 IGAFRN Cc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)C(=O)CCc1ccccc1 ZINC000061904223 563148074 /nfs/dbraw/zinc/14/80/74/563148074.db2.gz CFVBLRHEBXORER-UHFFFAOYSA-N 0 0 444.539 3.255 3 0 IGAFRN CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2Cc3c(nccc3-c3cccc(F)c3)O2)c1 ZINC000061926179 563149888 /nfs/dbraw/zinc/14/98/88/563149888.db2.gz ALBSGVOHARNNSV-LJQANCHMSA-N 0 0 427.457 3.201 3 0 IGAFRN COc1ccc(CNC(=O)[C@H]2Cc3c(nccc3-c3ccc4c(c3)OCO4)O2)cc1OC ZINC000061926436 563149909 /nfs/dbraw/zinc/14/99/09/563149909.db2.gz NFZPVCYINDURLZ-JOCHJYFZSA-N 0 0 434.448 3.114 3 0 IGAFRN COc1ccc2c(c1)sc(-c1ccc(S(C)(=O)=O)cc1)c2C(=O)NCCCCO ZINC000061948004 563151554 /nfs/dbraw/zinc/15/15/54/563151554.db2.gz PKYJTLCFWXSFTQ-UHFFFAOYSA-N 0 0 433.551 3.483 3 0 IGAFRN O=C1C[C@]2(CCc3ccccc3C2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000064245778 563152500 /nfs/dbraw/zinc/15/25/00/563152500.db2.gz WZOMICPSISNAGQ-RUZDIDTESA-N 0 0 437.971 3.396 1 0 IGAFRN Cc1nc(C(=O)NCCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2)c(C)o1 ZINC000064559589 563156106 /nfs/dbraw/zinc/15/61/06/563156106.db2.gz NQCDBLMPXRGTLC-UHFFFAOYSA-N 0 0 438.509 3.067 1 0 IGAFRN CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccccc4)cn3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064560880 563156275 /nfs/dbraw/zinc/15/62/75/563156275.db2.gz LBMRLAUMNYSAST-ZXGKGEBGSA-N 0 0 440.927 3.320 1 0 IGAFRN O=C(/C=C\c1ccco1)NCC(=O)N1CCC(c2nccn2CCc2ccsc2)CC1 ZINC000073388681 563172759 /nfs/dbraw/zinc/17/27/59/563172759.db2.gz GDQMXLLMWTWCRN-ARJAWSKDSA-N 0 0 438.553 3.316 1 0 IGAFRN O=C(Nc1ccc(-c2nnc(NCCCN3CCOCC3)o2)cc1)c1ccccc1F ZINC000084619396 563174616 /nfs/dbraw/zinc/17/46/16/563174616.db2.gz MUIPFQAYLPYEPC-UHFFFAOYSA-N 0 0 425.464 3.262 1 0 IGAFRN COCCOc1cnc2ccc(Cn3nnc4ccn(-c5cccs5)c(=O)c43)cc2c1 ZINC000084669942 563175129 /nfs/dbraw/zinc/17/51/29/563175129.db2.gz FDSDLKQVKLJTNN-UHFFFAOYSA-N 0 0 433.493 3.265 1 0 IGAFRN COC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000084672061 563175498 /nfs/dbraw/zinc/17/54/98/563175498.db2.gz ZNUWSJDCVRLYLU-WTRWFAFPSA-N 0 0 448.468 3.220 1 0 IGAFRN CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000084690749 563176529 /nfs/dbraw/zinc/17/65/29/563176529.db2.gz CPHAXASSDXNLTO-UHFFFAOYSA-N 0 0 445.570 3.044 1 0 IGAFRN CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C4CC4)nn3c2)c1F ZINC000084730589 563178554 /nfs/dbraw/zinc/17/85/54/563178554.db2.gz CMKLSUQBEJIAPH-UHFFFAOYSA-N 0 0 435.456 3.289 1 0 IGAFRN C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCCc3ccccc3)CC2)cc1 ZINC000084739098 563178873 /nfs/dbraw/zinc/17/88/73/563178873.db2.gz WOFVKXAEDONAOH-UHFFFAOYSA-N 0 0 427.570 3.140 1 0 IGAFRN COCCNC(=O)c1c2c(sc1NC(=O)c1ccccc1OC(F)(F)F)COCC2 ZINC000095561415 563182452 /nfs/dbraw/zinc/18/24/52/563182452.db2.gz FGJAUWOERZHXPX-UHFFFAOYSA-N 0 0 444.431 3.348 1 0 IGAFRN CS(=O)(=O)Nc1ccc2c(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c[nH]c2c1 ZINC000095572204 563184731 /nfs/dbraw/zinc/18/47/31/563184731.db2.gz MMGIITPBYLMETN-UHFFFAOYSA-N 0 0 439.537 3.203 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)Nc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593133 563190645 /nfs/dbraw/zinc/19/06/45/563190645.db2.gz IFDZUAKZGYYTSV-HXOBKFHXSA-N 0 0 429.469 3.397 1 0 IGAFRN COC1=C(c2ccc(Cl)cc2)C(=O)O[C@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594057 563190949 /nfs/dbraw/zinc/19/09/49/563190949.db2.gz YZGLTMYTBNGJFV-FPOVZHCZSA-N 0 0 433.863 3.332 1 0 IGAFRN CCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c(Cl)c1 ZINC000096274117 563197057 /nfs/dbraw/zinc/19/70/57/563197057.db2.gz XHOOZNDNKCPJEE-HNNXBMFYSA-N 0 0 442.947 3.131 1 0 IGAFRN CC(=O)O[C@H](C)[C@H]1CC[C@@]2(O)[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H]4C[C@@]43[C@H](OC(C)=O)C[C@]12O ZINC000096903062 563197510 /nfs/dbraw/zinc/19/75/10/563197510.db2.gz VVZPGBWASVYVEL-FTWKXMTJSA-N 0 0 434.573 3.368 1 0 IGAFRN Cc1cc2sc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)nc2c(C)c1 ZINC000004034603 132268533 /nfs/dbraw/zinc/26/85/33/132268533.db2.gz CDQJUARHGJYSLG-UHFFFAOYSA-N 0 0 436.585 3.268 3 0 IGAFRN O=C(c1ccco1)N(C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000005596771 132275503 /nfs/dbraw/zinc/27/55/03/132275503.db2.gz YIUYIQVLJOFKOY-UHFFFAOYSA-N 0 0 439.493 3.053 1 0 IGAFRN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C)c2)C1 ZINC000015943734 521490257 /nfs/dbraw/zinc/49/02/57/521490257.db2.gz LDIQVUSSSHHIIX-HXUWFJFHSA-N 0 0 445.585 3.103 3 0 IGAFRN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)cc1C ZINC000020355944 525635328 /nfs/dbraw/zinc/63/53/28/525635328.db2.gz JLYFQKZDJUNDGV-INIZCTEOSA-N 0 0 437.525 3.318 1 0 IGAFRN CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(-c4ccccc4)c3n2)CC1 ZINC000004239082 536427235 /nfs/dbraw/zinc/42/72/35/536427235.db2.gz YXAWTMOSTYTQQX-UHFFFAOYSA-N 0 0 432.915 3.248 1 0 IGAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2cc(O)cc3c2N(CC3)C1=O)c1cc2ccccc2cn1 ZINC000003959302 562940075 /nfs/dbraw/zinc/94/00/75/562940075.db2.gz LRSRAJPLDDBOMK-VWLOTQADSA-N 0 0 448.482 3.437 1 0 IGAFRN COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Oc3ccc(OC)cc3)nc21 ZINC000004238268 562942847 /nfs/dbraw/zinc/94/28/47/562942847.db2.gz YNBSOKMIPWYFOA-UHFFFAOYSA-N 0 0 434.452 3.309 1 0 IGAFRN CC(=O)N[C@@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2nc(C)cc(C)n2)CC1 ZINC000004399670 562943235 /nfs/dbraw/zinc/94/32/35/562943235.db2.gz KSGRTNQHGYGTKP-QHCPKHFHSA-N 0 0 437.588 3.049 3 0 IGAFRN CCOc1ccccc1NC(=O)CCc1nnc2s/c(=C\CCc3ccccc3)c(=O)n12 ZINC000005813523 562944877 /nfs/dbraw/zinc/94/48/77/562944877.db2.gz HFMMIAGEXRUHSN-ZHZULCJRSA-N 0 0 448.548 3.253 1 0 IGAFRN COc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2OC)C12C(=O)NC(=S)NC2=O ZINC000005924753 562945468 /nfs/dbraw/zinc/94/54/68/562945468.db2.gz POMVPHZAPHHHIS-IAGOWNOFSA-N 0 0 438.505 3.292 1 0 IGAFRN Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(C)n1)c1cc(C)cc(C)c1 ZINC000006577028 562947420 /nfs/dbraw/zinc/94/74/20/562947420.db2.gz BJURPVKRKZERBJ-UHFFFAOYSA-N 0 0 428.514 3.446 3 0 IGAFRN COc1ccc(OC)c(NC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000008593718 562952849 /nfs/dbraw/zinc/95/28/49/562952849.db2.gz VSGOCGXSFISQNP-INIZCTEOSA-N 0 0 447.495 3.416 1 0 IGAFRN COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000008671081 562960805 /nfs/dbraw/zinc/96/08/05/562960805.db2.gz ZXINOTLEMHXDDI-FQEVSTJZSA-N 0 0 442.537 3.215 3 0 IGAFRN CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc31)C(=O)N2 ZINC000013450171 562987180 /nfs/dbraw/zinc/98/71/80/562987180.db2.gz DWTAJESQOVCLMA-UHFFFAOYSA-N 0 0 437.521 3.063 1 0 IGAFRN CCOC(=O)c1ccc(CCCn2ncc3c4nc(-c5ccco5)nn4c(N)nc32)cc1 ZINC000013471736 562987846 /nfs/dbraw/zinc/98/78/46/562987846.db2.gz ONKVOHAWCUQFLD-UHFFFAOYSA-N 0 0 431.456 3.126 1 0 IGAFRN CN1CCN(c2nc(NCCc3ccc(O)cc3)nc(N[C@@H]3CCc4ccccc43)n2)CC1 ZINC000013492558 562990695 /nfs/dbraw/zinc/99/06/95/562990695.db2.gz MAUFRWSTBICIPT-JOCHJYFZSA-N 0 0 445.571 3.083 1 0 IGAFRN Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(O)cc2)n1 ZINC000013529935 562991915 /nfs/dbraw/zinc/99/19/15/562991915.db2.gz OUCSIVJSDQZNMB-UHFFFAOYSA-N 0 0 448.504 3.453 1 0 IGAFRN CCc1c(C(=O)C(N)=O)c2c(c3c(cc2OCC(=O)OC)CCCC3)n1Cc1ccccc1 ZINC000013608905 562997626 /nfs/dbraw/zinc/99/76/26/562997626.db2.gz KPXWDTTXZCZOHS-UHFFFAOYSA-N 0 0 448.519 3.351 1 0 IGAFRN CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)c(F)cc3F)c2c1C(C)C ZINC000013645266 562998591 /nfs/dbraw/zinc/99/85/91/562998591.db2.gz BXZXWTOOTLUIAH-UHFFFAOYSA-N 0 0 433.415 3.342 1 0 IGAFRN C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c2ncnc3N2CCc3ccccc32)[C@H](O)[C@@H]1O ZINC000013643654 562998593 /nfs/dbraw/zinc/99/85/93/562998593.db2.gz VNOCXMIMKFRDEN-OULDAANOSA-N 0 0 428.492 3.432 1 0 IGAFRN CCn1c2cc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2c(=O)n(CC)c1=O ZINC000013678820 563000748 /nfs/dbraw/zinc/00/07/48/563000748.db2.gz BDLFZJSJPYPKOZ-UHFFFAOYSA-N 0 0 432.480 3.216 1 0 IGAFRN CC[S@@](=O)CC[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746886 563004097 /nfs/dbraw/zinc/00/40/97/563004097.db2.gz QEYLNCFKHHSXKD-FYFNNQQJSA-N 0 0 445.537 3.034 1 0 IGAFRN CC(C)(C)OC(=O)N1CC(=O)N2Cc3c(-c4noc(C5CC5)n4)ncn3-c3cccc1c32 ZINC000013760376 563004881 /nfs/dbraw/zinc/00/48/81/563004881.db2.gz OYCSOHYBEPDQKO-UHFFFAOYSA-N 0 0 434.456 3.401 1 0 IGAFRN COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3[C@@H]2c2ccccn2)CC1 ZINC000013776803 563005882 /nfs/dbraw/zinc/00/58/82/563005882.db2.gz ANWIIPBIJAWMDI-RUZDIDTESA-N 0 0 428.536 3.458 1 0 IGAFRN Clc1nc2c(nc1NCc1ccccc1)nc(N1CCOCC1)nc2N1CCCC1 ZINC000013782035 563006709 /nfs/dbraw/zinc/00/67/09/563006709.db2.gz IZFAPNYOMARFQN-UHFFFAOYSA-N 0 0 425.924 3.122 1 0 IGAFRN S=C(NCc1ccc(I)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000013808005 563008695 /nfs/dbraw/zinc/00/86/95/563008695.db2.gz DZBSGIZPIZEWAW-UHFFFAOYSA-N 0 0 426.327 3.268 1 0 IGAFRN CCOC(=O)[C@@H]1C(C(=O)OC)=C(CC(C)C)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814009 563009137 /nfs/dbraw/zinc/00/91/37/563009137.db2.gz ITUAEYXCUXQYQT-INIZCTEOSA-N 0 0 449.447 3.261 1 0 IGAFRN COc1ccc2c3c1O[C@]1(C)[C@@]34CCN(C)[C@@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)ccc(O)c12 ZINC000017214553 563021745 /nfs/dbraw/zinc/02/17/45/563021745.db2.gz QMJLOWCMXXVLQW-FUWIRAOVSA-N 0 0 433.504 3.119 1 0 IGAFRN COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019084843 563022341 /nfs/dbraw/zinc/02/23/41/563022341.db2.gz PMBSCFVSSGAIJL-JOCHJYFZSA-N 0 0 444.539 3.426 3 0 IGAFRN COc1cc2c(cc1OC)C1=NO[C@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 ZINC000022930647 563026243 /nfs/dbraw/zinc/02/62/43/563026243.db2.gz WZOMJNATDSYQHS-JYGBHNECSA-N 0 0 449.551 3.146 1 0 IGAFRN CSCC[C@@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)Cc1ccccc1)C(N)=O ZINC000026490476 563032465 /nfs/dbraw/zinc/03/24/65/563032465.db2.gz ZYVRYKRQCQNQFH-RTBURBONSA-N 0 0 430.595 3.142 1 0 IGAFRN COc1ccc(Br)cc1C1=N[C@@H](CN2CCN(c3ccccc3)CC2)CO1 ZINC000026572361 563033356 /nfs/dbraw/zinc/03/33/56/563033356.db2.gz LKDKZDZBTSCLCY-KRWDZBQOSA-N 0 0 430.346 3.425 1 0 IGAFRN CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1ccc[nH]c1=S)CC(C)C ZINC000026826405 563037043 /nfs/dbraw/zinc/03/70/43/563037043.db2.gz WAAZJBUXRKHJNM-ICSRJNTNSA-N 0 0 429.586 3.431 1 0 IGAFRN NC(=[NH2+])c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)[O-])C3=O)c(C(F)(F)F)c1 ZINC000027302535 563041230 /nfs/dbraw/zinc/04/12/30/563041230.db2.gz YDTUZWIQLFLWAK-NSHDSACASA-N 0 0 433.386 3.462 1 0 IGAFRN COC1(c2cc(S(=O)(=O)c3ccc4c(ccc(=O)n4C)c3)ccc2C)CCOCC1 ZINC000027310592 563041361 /nfs/dbraw/zinc/04/13/61/563041361.db2.gz JCLJFYNJMKDEKD-UHFFFAOYSA-N 0 0 427.522 3.332 1 0 IGAFRN Nc1ccc(/C=C/C(=O)N[C@H](NC(=S)Nc2ccccn2)C(Cl)(Cl)Cl)cc1 ZINC000028341383 563052828 /nfs/dbraw/zinc/05/28/28/563052828.db2.gz BSRBASCABIZHLQ-RZIFZGNASA-N 0 0 444.775 3.476 1 0 IGAFRN CON(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1 ZINC000028365291 563053601 /nfs/dbraw/zinc/05/36/01/563053601.db2.gz AMDVLYPOHLXWRW-IBGZPJMESA-N 0 0 444.532 3.298 1 0 IGAFRN CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)OC=C3CC[C@H]12 ZINC000028382738 563054053 /nfs/dbraw/zinc/05/40/53/563054053.db2.gz ZDZWOGPGACJWQL-FHROMFLPSA-N 0 0 432.513 3.470 1 0 IGAFRN COc1ncc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)c1Cl ZINC000028567251 563058382 /nfs/dbraw/zinc/05/83/82/563058382.db2.gz FTCCQBNNJSPYNP-UHFFFAOYSA-N 0 0 434.649 3.043 1 0 IGAFRN COc1ccc([C@@H](CC(=O)[O-])Cc2nc(CCCc3ccc4c([nH+]3)NCCC4)no2)cn1 ZINC000028568683 563058511 /nfs/dbraw/zinc/05/85/11/563058511.db2.gz YEEBBNWKQGDACU-QGZVFWFLSA-N 0 0 437.500 3.203 1 0 IGAFRN COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822599 563065732 /nfs/dbraw/zinc/06/57/32/563065732.db2.gz HGLHTBMFKAIGGR-UHFFFAOYSA-N 0 0 427.468 3.365 1 0 IGAFRN O=S1(=O)N=C(Nc2ccccc2Br)Nc2c(O)cc(Br)cc21 ZINC000028822743 563065742 /nfs/dbraw/zinc/06/57/42/563065742.db2.gz VNDBWCAKDZRRNY-UHFFFAOYSA-N 0 0 447.108 3.500 1 0 IGAFRN C[C@@H](C(=O)NCCC(F)(F)F)C(=O)N[C@@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000028824916 563066165 /nfs/dbraw/zinc/06/61/65/563066165.db2.gz RNMFABUEABNDQC-SCLBCKFNSA-N 0 0 433.430 3.192 1 0 IGAFRN Cc1cc(COc2ccc(NC(=O)[C@H]3CCC[C@]34NC(=O)NC4=O)cc2)c2ccccc2n1 ZINC000028897315 563068839 /nfs/dbraw/zinc/06/88/39/563068839.db2.gz ACGXBTDJTWEIEW-NLFFAJNJSA-N 0 0 444.491 3.439 1 0 IGAFRN CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCc2ccsc2)nn1 ZINC000029044337 563072454 /nfs/dbraw/zinc/07/24/54/563072454.db2.gz ATEJAIMVMAIRCD-AZUAARDMSA-N 0 0 442.566 3.402 1 0 IGAFRN CCS(=O)(=O)c1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000029132657 563075733 /nfs/dbraw/zinc/07/57/33/563075733.db2.gz JBKASQFEWCYWGQ-UHFFFAOYSA-N 0 0 437.568 3.014 1 0 IGAFRN COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CN3CCN(C)CC3)ccc2c1 ZINC000029318729 563077734 /nfs/dbraw/zinc/07/77/34/563077734.db2.gz YWODZLCRMGQTGJ-LJQANCHMSA-N 0 0 442.556 3.066 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1cccc2c1Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@@H]1O ZINC000034298758 563085999 /nfs/dbraw/zinc/08/59/99/563085999.db2.gz MCRUVGPFTZPESY-QQMNAOGKSA-N 0 0 441.553 3.263 1 0 IGAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000034290185 563086057 /nfs/dbraw/zinc/08/60/57/563086057.db2.gz XQXXTTFZQSPXBR-MGNXDGSBSA-N 0 0 428.437 3.063 1 0 IGAFRN O=C(NC[C@H]1CN(c2ccc(N3CCCC3=O)c(F)c2)C(=O)O1)c1ccc(Cl)s1 ZINC000034353080 563086202 /nfs/dbraw/zinc/08/62/02/563086202.db2.gz OSYKJAFAQUNRFN-LBPRGKRZSA-N 0 0 437.880 3.423 1 0 IGAFRN COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H]1CCNC1=O ZINC000034800019 563087227 /nfs/dbraw/zinc/08/72/27/563087227.db2.gz MOFYSSKDMWISNA-KRWDZBQOSA-N 0 0 429.883 3.495 1 0 IGAFRN C[NH2+][C@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c([O-])nsc4n(C4CC4)c3c2OC)C1 ZINC000034946065 563088551 /nfs/dbraw/zinc/08/85/51/563088551.db2.gz SOJRULJEVFPUAA-GHMZBOCLSA-N 0 0 432.521 3.234 1 0 IGAFRN COC(=O)c1cccc(C(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000036330609 563092871 /nfs/dbraw/zinc/09/28/71/563092871.db2.gz RGNDRWVROQMEET-UHFFFAOYSA-N 0 0 439.556 3.346 1 0 IGAFRN CCOC(=O)C1=CN(CCCc2cn(Cc3ccccc3)nn2)C(=O)N[C@H]1c1ccccc1 ZINC000038142367 563096077 /nfs/dbraw/zinc/09/60/77/563096077.db2.gz PJXXYBZEETUSBH-QHCPKHFHSA-N 0 0 445.523 3.473 1 0 IGAFRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000040393592 563100232 /nfs/dbraw/zinc/10/02/32/563100232.db2.gz CRQJVVAQHQNEQB-UHFFFAOYSA-N 0 0 430.452 3.256 1 0 IGAFRN COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1 ZINC000040935709 563112686 /nfs/dbraw/zinc/11/26/86/563112686.db2.gz ZJODRBGRKHPTDB-UHFFFAOYSA-N 0 0 427.455 3.116 1 0 IGAFRN CCCCNC(=O)N1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000040953390 563114283 /nfs/dbraw/zinc/11/42/83/563114283.db2.gz XFPQJDHOPZYFCC-UHFFFAOYSA-N 0 0 447.557 3.455 1 0 IGAFRN O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(I)cc1 ZINC000043060269 563117503 /nfs/dbraw/zinc/11/75/03/563117503.db2.gz VUJUEAUABOVQDK-UHFFFAOYSA-N 0 0 440.262 3.304 1 0 IGAFRN CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)n(C)c2)n(C)c1 ZINC000043076312 563118339 /nfs/dbraw/zinc/11/83/39/563118339.db2.gz AGPWOOWJTVOPFF-UHFFFAOYSA-N 0 0 446.511 3.028 1 0 IGAFRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cc[nH]n2)cc1Cl ZINC000043120153 563118846 /nfs/dbraw/zinc/11/88/46/563118846.db2.gz DWXVVVSDZGJDAL-OAHLLOKOSA-N 0 0 436.899 3.286 1 0 IGAFRN C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1 ZINC000043196187 563119261 /nfs/dbraw/zinc/11/92/61/563119261.db2.gz XBSMDANCGKSKGK-MRXNPFEDSA-N 0 0 431.475 3.091 1 0 IGAFRN O=C1N[C@@H](c2ccccc2)C2(CC[NH+](C[C@@H](O)COc3cccc4ncccc43)CC2)O1 ZINC000045193733 563124069 /nfs/dbraw/zinc/12/40/69/563124069.db2.gz LHRKAYAQNMWYGP-XXBNENTESA-N 0 0 433.508 3.290 1 0 IGAFRN COc1ccc(Nc2nccc(N3CC[C@@H](NC(=O)Nc4ccc5c(c4)OCO5)C3)n2)cc1 ZINC000045229258 563125871 /nfs/dbraw/zinc/12/58/71/563125871.db2.gz VZCYRGSRIUXUTC-QGZVFWFLSA-N 0 0 448.483 3.358 1 0 IGAFRN COc1ccc(Nc2nccc(N3CC[C@H](NC(=O)c4cccc(NC(C)=O)c4)C3)n2)cc1 ZINC000045230130 563126146 /nfs/dbraw/zinc/12/61/46/563126146.db2.gz QRDNFVZGPFEZCY-FQEVSTJZSA-N 0 0 446.511 3.196 1 0 IGAFRN O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC3(CCc4ccccc4O3)CC2)nn1 ZINC000045352305 563132339 /nfs/dbraw/zinc/13/23/39/563132339.db2.gz ABRPDNMHYXMRIE-JOCHJYFZSA-N 0 0 444.535 3.304 1 0 IGAFRN O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC3(CC2)Cc2ccccc2CO3)nn1 ZINC000045351448 563132354 /nfs/dbraw/zinc/13/23/54/563132354.db2.gz BCQSGWNKFDAIOL-HSZRJFAPSA-N 0 0 444.535 3.052 1 0 IGAFRN CC(C)Nc1nc2c(cc(Cl)c(Cl)c2Br)n1[C@H]1OC[C@@H](O)[C@H]1O ZINC000049020211 563135616 /nfs/dbraw/zinc/13/56/16/563135616.db2.gz GYRMUBGZAOAIFD-WQHBLYJGSA-N 0 0 425.110 3.177 1 0 IGAFRN C[C@@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033466 563135960 /nfs/dbraw/zinc/13/59/60/563135960.db2.gz ZHQUHDHFPDBIHU-QOTVXNQCSA-N 0 0 430.541 3.398 1 0 IGAFRN O=C(Nc1nnc([C@H]2CCCO2)s1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1 ZINC000049066848 563137253 /nfs/dbraw/zinc/13/72/53/563137253.db2.gz GKRARABJQLXMFM-CYBMUJFWSA-N 0 0 439.457 3.391 1 0 IGAFRN O=C([O-])C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000058575987 563144858 /nfs/dbraw/zinc/14/48/58/563144858.db2.gz DPKRFNUMAYOGPS-LJQANCHMSA-N 0 0 429.904 3.037 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000058608830 563145794 /nfs/dbraw/zinc/14/57/94/563145794.db2.gz YBHBUGPAORYSHF-WCMFBIDSSA-N 0 0 448.412 3.330 1 0 IGAFRN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000059545795 563146627 /nfs/dbraw/zinc/14/66/27/563146627.db2.gz OCYYOYSOTPJCFP-YLZCUGDYSA-N 0 0 446.573 3.172 1 0 IGAFRN C[C@@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061906309 563148561 /nfs/dbraw/zinc/14/85/61/563148561.db2.gz NOMCWHFMPHRPQC-QFIPXVFZSA-N 0 0 426.900 3.408 3 0 IGAFRN CNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc54)n3n2)cc1 ZINC000062154034 563152059 /nfs/dbraw/zinc/15/20/59/563152059.db2.gz QODHFZWQDAIVMY-UHFFFAOYSA-N 0 0 440.463 3.287 1 0 IGAFRN CC(C)(O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(-c2cc(-c3cc[nH]n3)ccc2[O-])nc2ccccc21 ZINC000066101858 563158353 /nfs/dbraw/zinc/15/83/53/563158353.db2.gz SILRSPQRNMXQEN-YLJYHZDGSA-N 0 0 430.512 3.163 1 0 IGAFRN COc1ccc(CONC(=O)c2cc(Br)c(Br)[nH]2)cc1OC ZINC000071334543 563162584 /nfs/dbraw/zinc/16/25/84/563162584.db2.gz IGCVRIFSCLVVRA-UHFFFAOYSA-N 0 0 434.084 3.419 1 0 IGAFRN COc1ccc(-n2nnnc2[C@@H](C2CC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072141147 563164649 /nfs/dbraw/zinc/16/46/49/563164649.db2.gz IHONVXCPIIHWGQ-GGXQVSFTSA-N 0 0 430.556 3.453 3 0 IGAFRN COc1cc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2cc1NC(=O)C1CC1 ZINC000072170893 563164946 /nfs/dbraw/zinc/16/49/46/563164946.db2.gz HDLOOANOTTYYFN-SSEXGKCCSA-N 0 0 428.514 3.248 1 0 IGAFRN O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1CCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072180817 563167034 /nfs/dbraw/zinc/16/70/34/563167034.db2.gz FTQXGQMCTWWWOT-FGYAAKKASA-N 0 0 443.392 3.432 1 0 IGAFRN CC1(C)C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000073158783 563169293 /nfs/dbraw/zinc/16/92/93/563169293.db2.gz MEIBAUIZWBBTLF-GXTWGEPZSA-N 0 0 442.887 3.095 1 0 IGAFRN COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2cncc(F)c2)ccc1-n1cnc(C)c1 ZINC000073198297 563169997 /nfs/dbraw/zinc/16/99/97/563169997.db2.gz PYIFQPHKHQKXCO-GTCHRVBRSA-N 0 0 449.486 3.392 1 0 IGAFRN COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(N(C)C)cc4)c3)c2cc1OC ZINC000073221973 563170619 /nfs/dbraw/zinc/17/06/19/563170619.db2.gz GERTXWLPZYPXBE-UHFFFAOYSA-N 0 0 447.499 3.292 1 0 IGAFRN O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc21 ZINC000073280994 563171836 /nfs/dbraw/zinc/17/18/36/563171836.db2.gz ITCVJASVKBSFRP-UHFFFAOYSA-N 0 0 444.988 3.379 1 0 IGAFRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073297362 563172129 /nfs/dbraw/zinc/17/21/29/563172129.db2.gz PKHMXEAHOIRBKO-DQEYMECFSA-N 0 0 444.531 3.318 1 0 IGAFRN CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2Br)ncc1Cl ZINC000095555460 563181273 /nfs/dbraw/zinc/18/12/73/563181273.db2.gz NEUJQPMKQRSGQT-UHFFFAOYSA-N 0 0 426.702 3.150 1 0 IGAFRN COCCNC(=O)c1c2c(sc1NC(=O)c1ccccc1C(F)(F)F)COCC2 ZINC000095563986 563183068 /nfs/dbraw/zinc/18/30/68/563183068.db2.gz STRRJWGQVOFPKF-UHFFFAOYSA-N 0 0 428.432 3.468 1 0 IGAFRN Cn1cnc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2cccc(Cl)c2)c1 ZINC000095564231 563183164 /nfs/dbraw/zinc/18/31/64/563183164.db2.gz BWLZWMAQNQUSKI-SFHVURJKSA-N 0 0 430.917 3.222 1 0 IGAFRN CC1=CC(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)=NC1 ZINC000095564444 563183171 /nfs/dbraw/zinc/18/31/71/563183171.db2.gz GDCLFZCJOSSQDX-UHFFFAOYSA-N 0 0 449.540 3.290 1 0 IGAFRN COc1ccc(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3Cl)N(C)C2=O)cn1 ZINC000095565709 563183325 /nfs/dbraw/zinc/18/33/25/563183325.db2.gz SSQUBKOCLMDUIO-AWEZNQCLSA-N 0 0 442.825 3.319 1 0 IGAFRN O=S1(=O)Cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCC(CCO)CC3)c2C1 ZINC000095576190 563185955 /nfs/dbraw/zinc/18/59/55/563185955.db2.gz NKKFFSLGVJNWJZ-UHFFFAOYSA-N 0 0 443.903 3.102 1 0 IGAFRN C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)c(Cl)c2)C1 ZINC000095579804 563187078 /nfs/dbraw/zinc/18/70/78/563187078.db2.gz RPQPNGLFYHFUKB-GFCCVEGCSA-N 0 0 447.898 3.088 1 0 IGAFRN COc1ccc(-n2cc(CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 ZINC000095591758 563190379 /nfs/dbraw/zinc/19/03/79/563190379.db2.gz RYMFQBBRZPTRIL-UHFFFAOYSA-N 0 0 449.602 3.347 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)Nc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593134 563190641 /nfs/dbraw/zinc/19/06/41/563190641.db2.gz IFDZUAKZGYYTSV-GAJHUEQPSA-N 0 0 429.469 3.397 1 0 IGAFRN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2c2nnnn2Cc2ccccc2)c1 ZINC000095602065 563193065 /nfs/dbraw/zinc/19/30/65/563193065.db2.gz IAVUQTKKYVDCPM-QHCPKHFHSA-N 0 0 441.491 3.484 3 0 IGAFRN COC(=O)Nc1ccc(-c2c[nH]c([C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)n2)cc1 ZINC000095604926 563193883 /nfs/dbraw/zinc/19/38/83/563193883.db2.gz VOKOYAFTUMKXJH-ROUUACIJSA-N 0 0 443.504 3.299 1 0 IGAFRN COc1cc(Nc2ncnc(Nc3ccccc3C(=O)NC3CC3)n2)cc(OC)c1OC ZINC000096273921 563196927 /nfs/dbraw/zinc/19/69/27/563196927.db2.gz ZSDJMTZGKAWLSX-UHFFFAOYSA-N 0 0 436.472 3.277 1 0 IGAFRN CN(CCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)C[S@@]2=O)cc1)c1ccccn1 ZINC000096906210 563197609 /nfs/dbraw/zinc/19/76/09/563197609.db2.gz NZCFSJWZAWEWED-WBBHLRKXSA-N 0 0 435.549 3.387 1 0 IGAFRN CCOC(=O)[C@@H]1CS[C@]2(c3ccccc3N(C)C2=O)N1C(=O)c1ccc(Cl)cc1 ZINC000096908990 563197692 /nfs/dbraw/zinc/19/76/92/563197692.db2.gz FVRNYJSKRFPGLE-UWJYYQICSA-N 0 0 430.913 3.290 1 0 IGAFRN CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1ccnn1)OCOC(=O)C(C)(C)C ZINC000096913258 563197798 /nfs/dbraw/zinc/19/77/98/563197798.db2.gz ZRRSBPLSBOOBCU-BQYQJAHWSA-N 0 0 431.426 3.154 1 0 IGAFRN CC(=O)OC[C@H]1[C@@H]2[C@@H](CC[C@]13CO3)[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2OC(C)=O ZINC000095486040 291352813 /nfs/dbraw/zinc/35/28/13/291352813.db2.gz VDUBTHRPHOEQKW-UPDRVWFQSA-N 0 0 434.529 3.202 1 0 biogenic,in-vitro IGAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)[C@H]2O ZINC000070455338 291357726 /nfs/dbraw/zinc/35/77/26/291357726.db2.gz BFELOFVXWJZJNF-IKVVWSHTSA-N 0 0 432.469 3.093 1 0 biogenic,in-vitro IGAFRN COCCNC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)C1 ZINC000020564638 523919499 /nfs/dbraw/zinc/91/94/99/523919499.db2.gz MSOPKJDHBHFOPS-INIZCTEOSA-N 0 0 442.951 3.065 1 0 IGAFRN Nc1nc2c(nc(Br)n2[C@H]2CCCc3cccc(Br)c32)c(=O)[nH]1 ZINC000000589850 562918358 /nfs/dbraw/zinc/91/83/58/562918358.db2.gz QLRAFBKUHQNNFZ-VIFPVBQESA-N 0 0 439.111 3.153 1 0 IGAFRN Cc1nc2ccccc2n1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001330294 562921295 /nfs/dbraw/zinc/92/12/95/562921295.db2.gz MITSVFMTYBLYIG-UHFFFAOYSA-N 0 0 433.555 3.146 3 0 IGAFRN COC(=O)CCc1cc2c(c(OC)c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C(=O)OC ZINC000001645369 562923631 /nfs/dbraw/zinc/92/36/31/562923631.db2.gz VYPDDYLRLTWJLX-LEWJYISDSA-N 0 0 430.453 3.208 1 0 IGAFRN O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000002469230 562928105 /nfs/dbraw/zinc/92/81/05/562928105.db2.gz COMKAOQZQSWILB-INIZCTEOSA-N 0 0 440.525 3.141 3 0 IGAFRN COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000002940512 562930947 /nfs/dbraw/zinc/93/09/47/562930947.db2.gz NUBQOILMKZCPGN-UHFFFAOYSA-N 0 0 426.288 3.038 3 0 IGAFRN COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000003814710 562938567 /nfs/dbraw/zinc/93/85/67/562938567.db2.gz VNNGIYNQDQOQCJ-UHFFFAOYSA-N 0 0 427.404 3.223 1 0 IGAFRN OC[C@@H]1O[C@H](n2cnc3c2nc(Nc2ccc(Cl)c(Cl)c2)nc3Cl)C[C@@H]1O ZINC000005822701 562944872 /nfs/dbraw/zinc/94/48/72/562944872.db2.gz HEEANCXZTNZIAU-SRVKXCTJSA-N 0 0 430.679 3.171 1 0 IGAFRN CCN(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC)c1ccccc1 ZINC000005840016 562945125 /nfs/dbraw/zinc/94/51/25/562945125.db2.gz KDYPQVKSSPYDSD-VXKWHMMOSA-N 0 0 438.572 3.111 1 0 IGAFRN COC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000008020425 562948940 /nfs/dbraw/zinc/94/89/40/562948940.db2.gz QIKOKVRSHHNPQV-MYGLTJDJSA-N 0 0 436.508 3.454 1 0 IGAFRN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)cc1OC ZINC000008604798 562956404 /nfs/dbraw/zinc/95/64/04/562956404.db2.gz XUIRXAVILOMCOQ-KRWDZBQOSA-N 0 0 441.509 3.044 3 0 IGAFRN CCOc1ccccc1CNC(=O)CCCN1c2cc(-c3cccn3C)nn2CCC1=O ZINC000008609613 562957914 /nfs/dbraw/zinc/95/79/14/562957914.db2.gz LSTSGOVZBKFGKV-UHFFFAOYSA-N 0 0 435.528 3.121 1 0 IGAFRN O=c1cc(CSc2nc3ccsc3c(=O)n2Cc2ccccn2)nc2ccccn12 ZINC000008661836 562960375 /nfs/dbraw/zinc/96/03/75/562960375.db2.gz GSDWDJIXYNZUOJ-UHFFFAOYSA-N 0 0 433.518 3.202 3 0 IGAFRN COc1c(N2CCC(=C(Cl)C[NH3+])CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000009133469 562967794 /nfs/dbraw/zinc/96/77/94/562967794.db2.gz CDXWJZWZGZTZCF-UHFFFAOYSA-N 0 0 435.883 3.234 1 0 IGAFRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCO3)ccc2N2CCCC2)cc1 ZINC000009662200 562974815 /nfs/dbraw/zinc/97/48/15/562974815.db2.gz CKRUBPIAYOBZIY-FQEVSTJZSA-N 0 0 445.541 3.214 3 0 IGAFRN O=C(CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000011844538 562979594 /nfs/dbraw/zinc/97/95/94/562979594.db2.gz BCGWLEQFUPQWAP-QFIPXVFZSA-N 0 0 446.595 3.481 3 0 IGAFRN OCCOCCn1c2ccccc2nc1[C@H](CO)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000012507246 562982586 /nfs/dbraw/zinc/98/25/86/562982586.db2.gz KROQHVPUNMTZDH-SFHVURJKSA-N 0 0 442.516 3.453 3 0 IGAFRN CCc1cc2ccc(OC)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000013150914 562985390 /nfs/dbraw/zinc/98/53/90/562985390.db2.gz KCJRWZWIKIAGGJ-UHFFFAOYSA-N 0 0 439.537 3.476 3 0 IGAFRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150669 562985405 /nfs/dbraw/zinc/98/54/05/562985405.db2.gz GRIJHYHYGPHKFU-KUHUBIRLSA-N 0 0 429.517 3.489 3 0 IGAFRN CCOC(=O)C1CCN(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)CC1 ZINC000013530479 562992050 /nfs/dbraw/zinc/99/20/50/562992050.db2.gz DUMCBQPYWIEMCA-UHFFFAOYSA-N 0 0 445.537 3.261 1 0 IGAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cccc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000013561152 562994274 /nfs/dbraw/zinc/99/42/74/562994274.db2.gz UFZMRGCCVPDARB-RLTKGDLXSA-N 0 0 448.412 3.330 1 0 IGAFRN O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000013596792 562996627 /nfs/dbraw/zinc/99/66/27/562996627.db2.gz BSKMVQSJPKCQKE-SFHVURJKSA-N 0 0 436.468 3.001 3 0 IGAFRN CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CF ZINC000013606567 562997368 /nfs/dbraw/zinc/99/73/68/562997368.db2.gz HFRHUAYUFHVXNZ-RTWAWAEBSA-N 0 0 427.520 3.167 1 0 IGAFRN CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013656831 562999439 /nfs/dbraw/zinc/99/94/39/562999439.db2.gz KXPOPZSKEYIOTO-DBXWQHBBSA-N 0 0 443.462 3.313 3 0 IGAFRN CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O ZINC000013678826 563000724 /nfs/dbraw/zinc/00/07/24/563000724.db2.gz XKJVLEUGGMTMES-UHFFFAOYSA-N 0 0 432.480 3.123 1 0 IGAFRN O=C(CC[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 ZINC000013739770 563002974 /nfs/dbraw/zinc/00/29/74/563002974.db2.gz VGVGASMPXUSQSB-HNNXBMFYSA-N 0 0 428.286 3.359 1 0 IGAFRN COC(=O)[C@H]1[C@@H](C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1 ZINC000013816501 563009357 /nfs/dbraw/zinc/00/93/57/563009357.db2.gz AHKBLVRZDVXQIO-NQERJWCQSA-N 0 0 442.512 3.199 3 0 IGAFRN COc1cc2nc(N(C)[C@@H]3CCCC[C@H]3N(C)C(=O)c3ccco3)nc(N)c2cc1OC ZINC000013826086 563010529 /nfs/dbraw/zinc/01/05/29/563010529.db2.gz HZNHGMXFMGRNNC-IAGOWNOFSA-N 0 0 439.516 3.342 1 0 IGAFRN CCn1c2nc(NC3CCCCC3)n(Cc3cccc(OC)c3)c2c(=O)n(CC)c1=O ZINC000013860282 563012448 /nfs/dbraw/zinc/01/24/48/563012448.db2.gz KBUQLIFMRQMDGG-UHFFFAOYSA-N 0 0 425.533 3.201 1 0 IGAFRN O=C(CC[C@@H]1CCc2cc3c([nH+]c2C1)NCCC3)NC[C@H](C(=O)[O-])c1ccc2c(c1)OCC2 ZINC000013860640 563012549 /nfs/dbraw/zinc/01/25/49/563012549.db2.gz ZIYZOTDZIZBOGY-KKSFZXQISA-N 0 0 449.551 3.244 1 0 IGAFRN COC(=O)CCc1cc(OC)c(O)c([C@@H](Cc2ccc(OC)c(OC)c2)C(=O)OC)c1 ZINC000017258118 563021922 /nfs/dbraw/zinc/02/19/22/563021922.db2.gz GYPNOLWZMZCOFY-QGZVFWFLSA-N 0 0 432.469 3.023 1 0 IGAFRN O=C(NCCC1=CCCCC1)C1CCC(CNc2c(=O)c(=O)c2N2CCCCC2)CC1 ZINC000020418725 563024872 /nfs/dbraw/zinc/02/48/72/563024872.db2.gz RNSFCNCKRDKVSZ-UHFFFAOYSA-N 0 0 427.589 3.498 3 0 IGAFRN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000020586795 563025076 /nfs/dbraw/zinc/02/50/76/563025076.db2.gz CTIVVQXJCPHESZ-HNNXBMFYSA-N 0 0 431.539 3.493 1 0 IGAFRN CC1=C(C(=O)OCCCCO[N+](=O)[O-])[C@@H](c2cccc3nonc32)C([N+](=O)[O-])=C(C)C1 ZINC000026576661 563033722 /nfs/dbraw/zinc/03/37/22/563033722.db2.gz INXAGSPTXPGFOL-MRXNPFEDSA-N 0 0 432.389 3.109 1 0 IGAFRN COC(=O)[C@@H]1C[C@@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CN1 ZINC000026719957 563035489 /nfs/dbraw/zinc/03/54/89/563035489.db2.gz BIOAAXSNIUOSRQ-QUCCMNQESA-N 0 0 436.556 3.433 1 0 IGAFRN CCCCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000027095984 563039411 /nfs/dbraw/zinc/03/94/11/563039411.db2.gz YBCYKWLFCIPEMH-RTBURBONSA-N 0 0 434.533 3.135 1 0 IGAFRN CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CF ZINC000027298959 563041109 /nfs/dbraw/zinc/04/11/09/563041109.db2.gz JAVBZQAXUMDAIW-VXKWHMMOSA-N 0 0 426.532 3.416 1 0 IGAFRN CN1CCC=C(c2nsnc2OCCCCOc2nsnc2C2=CCCN(C)C2)C1 ZINC000027523237 563042934 /nfs/dbraw/zinc/04/29/34/563042934.db2.gz OJDJEYGCDIFOLB-UHFFFAOYSA-N 0 0 448.618 3.065 1 0 IGAFRN COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)N3CCOCC3)[C@H]1C=C2 ZINC000027524644 563043074 /nfs/dbraw/zinc/04/30/74/563043074.db2.gz YUEGPBINYSBFAP-AMDXRBSFSA-N 0 0 441.524 3.210 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCO1 ZINC000027657855 563045416 /nfs/dbraw/zinc/04/54/16/563045416.db2.gz ZAAVUNPFHZFKOA-MRXNPFEDSA-N 0 0 439.890 3.230 1 0 IGAFRN C[N@@H+]1CCC[C@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4-c3ccc(O)cc3)C[C@@H]21 ZINC000028457712 563054811 /nfs/dbraw/zinc/05/48/11/563054811.db2.gz JBUVEDXBSJTVCV-FPTDNZKUSA-N 0 0 437.471 3.064 1 0 IGAFRN NC(=O)Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21 ZINC000028523692 563056290 /nfs/dbraw/zinc/05/62/90/563056290.db2.gz GQCGJUPPZILNPJ-UHFFFAOYSA-N 0 0 440.805 3.066 1 0 IGAFRN O=c1ccn([C@@H]2C=C[C@@H](COP(=O)(Oc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]1 ZINC000028528786 563057294 /nfs/dbraw/zinc/05/72/94/563057294.db2.gz WTBYVSFHNKXXGR-ICSRJNTNSA-N 0 0 442.364 3.273 1 0 IGAFRN COc1ccc([C@H](CC(=O)[O-])Cc2nc(CCCc3ccc4c([nH+]3)NCCC4)no2)cn1 ZINC000028568684 563058517 /nfs/dbraw/zinc/05/85/17/563058517.db2.gz YEEBBNWKQGDACU-KRWDZBQOSA-N 0 0 437.500 3.203 1 0 IGAFRN CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)NCc1cccc(F)c1 ZINC000028702153 563061498 /nfs/dbraw/zinc/06/14/98/563061498.db2.gz LTPSIGXBQKDNCH-LJQANCHMSA-N 0 0 426.448 3.254 1 0 IGAFRN CS(=O)(=O)c1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 ZINC000028709041 563062366 /nfs/dbraw/zinc/06/23/66/563062366.db2.gz HOOLTRIXJPJPOP-UHFFFAOYSA-N 0 0 434.930 3.272 1 0 IGAFRN CCSc1ccc(OCc2nnc3n2N=C(NC(=O)c2ccccc2O)CS3)cc1 ZINC000028709031 563062372 /nfs/dbraw/zinc/06/23/72/563062372.db2.gz CLPDTASQVIURMO-UHFFFAOYSA-N 0 0 441.538 3.372 1 0 IGAFRN COc1cccc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)c1OC ZINC000028893262 563068602 /nfs/dbraw/zinc/06/86/02/563068602.db2.gz QFMNPOYGLSNUKV-JKSUJKDBSA-N 0 0 428.437 3.350 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cc(F)ccc2F)O1 ZINC000028974553 563071412 /nfs/dbraw/zinc/07/14/12/563071412.db2.gz XHVBOPHNTXLXJC-ONSXPEOJSA-N 0 0 425.332 3.032 1 0 IGAFRN CC(C)C[C@H](C(N)=O)N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000029129801 563075456 /nfs/dbraw/zinc/07/54/56/563075456.db2.gz CIBGRKWVIVNYFE-QGZVFWFLSA-N 0 0 438.933 3.160 1 0 IGAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(C(F)(F)F)nc2sc(C)cn21 ZINC000029132252 563075725 /nfs/dbraw/zinc/07/57/25/563075725.db2.gz XAUDUPYNNKYCBB-UHFFFAOYSA-N 0 0 429.420 3.304 1 0 IGAFRN COc1cc2nc(N3CCC(C(=O)N4[C@@H](C)CCC[C@@H]4C)CC3)nc(N)c2cc1OC ZINC000029222573 563076803 /nfs/dbraw/zinc/07/68/03/563076803.db2.gz BNELLZJFEBVBPQ-GJZGRUSLSA-N 0 0 427.549 3.235 1 0 IGAFRN CN(C)c1ccc(C(=O)N[C@@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC000029408930 563079712 /nfs/dbraw/zinc/07/97/12/563079712.db2.gz MKTBEDGUTVRUNF-HXUWFJFHSA-N 0 0 437.540 3.172 1 0 IGAFRN COC[C@@H](C(N)=O)N(C)Cc1cc2c(cc1OC)ncnc2Nc1cccc(Cl)c1F ZINC000034642910 563086783 /nfs/dbraw/zinc/08/67/83/563086783.db2.gz LJNUYDJKKBIGJB-KRWDZBQOSA-N 0 0 447.898 3.107 1 0 IGAFRN O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(F)c(F)cc2o1 ZINC000035861758 563090301 /nfs/dbraw/zinc/09/03/01/563090301.db2.gz KWGHMJGFVYVORH-UHFFFAOYSA-N 0 0 442.418 3.194 1 0 IGAFRN CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036387771 563094674 /nfs/dbraw/zinc/09/46/74/563094674.db2.gz DWOOHUXHUBAMHZ-UHFFFAOYSA-N 0 0 433.896 3.008 3 0 IGAFRN CN1CCC[C@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn43)c3cccnc32)C1 ZINC000038513720 563097970 /nfs/dbraw/zinc/09/79/70/563097970.db2.gz USGWILIMLVFFGV-LBPRGKRZSA-N 0 0 435.962 3.498 1 0 IGAFRN COC(=O)[C@@H]1C[C@]23C4=NC[C@@H](C)[C@]45CC[C@@]2(COC(C)=O)[C@H](CCC2=C3[C@@H]1CC2)[C@H]5O ZINC000040412534 563101894 /nfs/dbraw/zinc/10/18/94/563101894.db2.gz JVDVDUKDRSBISE-GWILNFDUSA-N 0 0 427.541 3.077 1 0 IGAFRN O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccccn2)CC1 ZINC000040424784 563103057 /nfs/dbraw/zinc/10/30/57/563103057.db2.gz MKSXJRJUBVNORD-UHFFFAOYSA-N 0 0 443.482 3.010 1 0 IGAFRN COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@H]3COC(C)=O)cc(OC)c1OC ZINC000040812773 563106920 /nfs/dbraw/zinc/10/69/20/563106920.db2.gz RBZHDMQPGUEKHK-MBSHLRGSSA-N 0 0 442.464 3.067 1 0 IGAFRN COc1cc(CCN2C=CC=C3C2=Nc2ccccc2OS3(=O)=O)cc(OC)c1OC ZINC000040846795 563107503 /nfs/dbraw/zinc/10/75/03/563107503.db2.gz JAWMMBQUPGXUDK-UHFFFAOYSA-N 0 0 442.493 3.421 1 0 IGAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000040881081 563109833 /nfs/dbraw/zinc/10/98/33/563109833.db2.gz XQXXTTFZQSPXBR-RKTMXUFFSA-N 0 0 428.437 3.063 1 0 IGAFRN O=C1OC=C2Nc3cc4c(cc3[C@H](c3cc5c(c(Br)c3)OCO5)C12)OCO4 ZINC000040914555 563111276 /nfs/dbraw/zinc/11/12/76/563111276.db2.gz UPOXERRCRSYHGT-INIZCTEOSA-N 0 0 430.210 3.275 1 0 IGAFRN COc1ccc(-n2nc3c(NC(=O)NCc4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000040938081 563113141 /nfs/dbraw/zinc/11/31/41/563113141.db2.gz BZBPDOMOOAFDFM-UHFFFAOYSA-N 0 0 440.463 3.364 1 0 IGAFRN COCCN(CCOC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3Cl)c(C)nn21 ZINC000040938294 563113176 /nfs/dbraw/zinc/11/31/76/563113176.db2.gz GLLVKLWQMYFMTL-UHFFFAOYSA-N 0 0 449.939 3.178 1 0 IGAFRN CCn1c(SC)nnc1[C@@H]1CCCN(CC(=O)Nc2nc3ccc(OC)cc3s2)C1 ZINC000045191476 563123734 /nfs/dbraw/zinc/12/37/34/563123734.db2.gz JJJVMNJXTIFMOR-CYBMUJFWSA-N 0 0 446.602 3.456 1 0 IGAFRN COc1ccc(Nc2nccc(N3CC[C@H](NC(=O)Nc4ccc5c(c4)OCO5)C3)n2)cc1 ZINC000045229255 563125810 /nfs/dbraw/zinc/12/58/10/563125810.db2.gz VZCYRGSRIUXUTC-KRWDZBQOSA-N 0 0 448.483 3.358 1 0 IGAFRN CN1C(=N)N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2F)C1=O ZINC000045245101 563126389 /nfs/dbraw/zinc/12/63/89/563126389.db2.gz GYXAUJZSDKKZRQ-FQEVSTJZSA-N 0 0 445.376 3.421 1 0 IGAFRN Cn1nc(C(=O)N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000045334670 563131193 /nfs/dbraw/zinc/13/11/93/563131193.db2.gz BAPSTKNDISTPAS-UHFFFAOYSA-N 0 0 427.508 3.267 1 0 IGAFRN CC[C@@H]1/C(=C/c2cccc(C(F)(F)F)c2)[n+]2cccc(OCC(=O)[O-])c2C1CC(N)=O ZINC000053650918 563142204 /nfs/dbraw/zinc/14/22/04/563142204.db2.gz FPFLRSLQHBTVQP-HAKPAVFJSA-N 0 0 434.414 3.292 1 0 IGAFRN CC(C)NC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccc3cccnc32)on1 ZINC000061895647 563147187 /nfs/dbraw/zinc/14/71/87/563147187.db2.gz UKDNFJFMVBDDNI-KRWDZBQOSA-N 0 0 428.514 3.277 3 0 IGAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NCc2ccco2)C1 ZINC000061921524 563149314 /nfs/dbraw/zinc/14/93/14/563149314.db2.gz OBFQXKDUGVDHIJ-FQEVSTJZSA-N 0 0 437.540 3.477 3 0 IGAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1nc[nH]c1C(N)=O ZINC000061949454 563151822 /nfs/dbraw/zinc/15/18/22/563151822.db2.gz WRVDBBPKKUMBPC-UHFFFAOYSA-N 0 0 431.374 3.340 3 0 IGAFRN CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958875 563151919 /nfs/dbraw/zinc/15/19/19/563151919.db2.gz GGRBSYSFSMZJRY-GOSISDBHSA-N 0 0 442.871 3.457 3 0 IGAFRN CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1c1cccc(OC)c1 ZINC000061958826 563151930 /nfs/dbraw/zinc/15/19/30/563151930.db2.gz KCQFIYBAIVAWDT-HXUWFJFHSA-N 0 0 434.489 3.015 3 0 IGAFRN O=C1C[C@H]2CCC[C@]3(C[C@@H](C[C@@H](CCCCc4ccccc4)O3)OC(=O)C[C@H](CO)O1)O2 ZINC000064528353 563154897 /nfs/dbraw/zinc/15/48/97/563154897.db2.gz WUXPTIWFTBYPCX-ANOZEODCSA-N 0 0 446.540 3.454 1 0 IGAFRN CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccsc4)cn3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064549071 563155649 /nfs/dbraw/zinc/15/56/49/563155649.db2.gz FBXUVXMFIUMXAW-VOFPXKNKSA-N 0 0 446.956 3.382 1 0 IGAFRN O=C(CN1C(=O)CCc2ccccc21)Nc1scc(Br)c1-c1nnc[nH]1 ZINC000066167134 563159804 /nfs/dbraw/zinc/15/98/04/563159804.db2.gz JCKBTQZTGPJTII-UHFFFAOYSA-N 0 0 432.303 3.214 1 0 IGAFRN c1n[nH]cc1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1 ZINC000071330095 563162472 /nfs/dbraw/zinc/16/24/72/563162472.db2.gz GMOGCDFLNRXOJV-UHFFFAOYSA-N 0 0 439.483 3.181 1 0 IGAFRN COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(C)=O)c2)c(OC)c1 ZINC000071342009 563162682 /nfs/dbraw/zinc/16/26/82/563162682.db2.gz OVNYJIQDWASLKB-CMDGGOBGSA-N 0 0 435.498 3.265 1 0 IGAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000072139569 563164385 /nfs/dbraw/zinc/16/43/85/563164385.db2.gz MSSVPLXKRPFKDV-HNNXBMFYSA-N 0 0 435.503 3.405 1 0 IGAFRN Cc1cc(C(=O)NC2CCN([C@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)[nH]n1 ZINC000072184905 563167849 /nfs/dbraw/zinc/16/78/49/563167849.db2.gz VXOPEXHNHPAYSO-HXUWFJFHSA-N 0 0 428.899 3.284 1 0 IGAFRN COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000082158005 563173847 /nfs/dbraw/zinc/17/38/47/563173847.db2.gz KFVUSZPWUZBAPF-KWMFLVSKSA-N 0 0 434.485 3.058 1 0 IGAFRN O=C(NCc1cn(Cc2ccc(F)cc2)nn1)Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC000084703949 563176613 /nfs/dbraw/zinc/17/66/13/563176613.db2.gz UYGKBPFHGFLREB-UHFFFAOYSA-N 0 0 448.458 3.310 1 0 IGAFRN O=C(NCc1ccc(OC(F)F)nc1)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095552874 563180884 /nfs/dbraw/zinc/18/08/84/563180884.db2.gz OUYULONQGHHEEU-HXUWFJFHSA-N 0 0 438.434 3.134 1 0 IGAFRN CCOC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(=O)oc3ccccc3c2O[C@]1(O)C(F)(F)F ZINC000095563751 563182986 /nfs/dbraw/zinc/18/29/86/563182986.db2.gz YWAXFLVENYPTCU-UVFQYZLESA-N 0 0 435.354 3.143 1 0 IGAFRN CN1C(=O)N(c2nccc(C(F)(F)F)n2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl ZINC000095565459 563183330 /nfs/dbraw/zinc/18/33/30/563183330.db2.gz WKPQKNKUQXTNMT-LBPRGKRZSA-N 0 0 448.232 3.359 1 0 IGAFRN COc1cccc(NC(=O)[C@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)c1 ZINC000095573446 563185147 /nfs/dbraw/zinc/18/51/47/563185147.db2.gz FNDPMIBXFWHKDO-LBPRGKRZSA-N 0 0 438.875 3.210 1 0 IGAFRN CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6n[nH]cc65)nc4c32)CC1 ZINC000095587231 563189393 /nfs/dbraw/zinc/18/93/93/563189393.db2.gz DTPFVQJDLZXQAV-UHFFFAOYSA-N 0 0 441.495 3.010 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095595303 563191334 /nfs/dbraw/zinc/19/13/34/563191334.db2.gz VHKZPGOVNGOHPJ-UZUQRXQVSA-N 0 0 431.460 3.205 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597291 563191789 /nfs/dbraw/zinc/19/17/89/563191789.db2.gz QCJXDDFKQKWSRI-KOSHJBKYSA-N 0 0 445.487 3.247 1 0 IGAFRN C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000095755335 563194476 /nfs/dbraw/zinc/19/44/76/563194476.db2.gz RDUGMXCQARVJSN-MRXNPFEDSA-N 0 0 442.539 3.088 1 0 IGAFRN CC(C)C(=O)N1CCC[C@@H](c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 ZINC000096168881 563195407 /nfs/dbraw/zinc/19/54/07/563195407.db2.gz SPMFAAOODORGCL-QGZVFWFLSA-N 0 0 447.539 3.223 1 0 IGAFRN O=C1N(Cn2nnc3ccccc32)CCCC12CCN(c1cnc3ccccc3n1)CC2 ZINC000096173103 563195806 /nfs/dbraw/zinc/19/58/06/563195806.db2.gz IKCOPTGWZOAHLH-UHFFFAOYSA-N 0 0 427.512 3.241 1 0 IGAFRN O=C(NCCCn1ccc(=O)[nH]c1=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096283125 563197213 /nfs/dbraw/zinc/19/72/13/563197213.db2.gz ACHGSTRZZKBPEE-UHFFFAOYSA-N 0 0 439.515 3.078 1 0 IGAFRN O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1 ZINC000004239124 132271280 /nfs/dbraw/zinc/27/12/80/132271280.db2.gz ZFGOVGZIQRUJKT-UHFFFAOYSA-N 0 0 441.463 3.078 1 0 IGAFRN O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)N1CCCc2ccccc21 ZINC000004399665 132271924 /nfs/dbraw/zinc/27/19/24/132271924.db2.gz LHCXLFBGKSFXEW-UHFFFAOYSA-N 0 0 428.452 3.165 3 0 aggregator IGAFRN COC(=O)c1cc2c(cc1Cl)Sc1nnc(Nc3ccc(C)cc3)n1S2(=O)=O ZINC000001663285 562924356 /nfs/dbraw/zinc/92/43/56/562924356.db2.gz BPNWIHSWBIGWGL-UHFFFAOYSA-N 0 0 436.902 3.472 1 0 IGAFRN Cn1nnnc1C(/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003786396 562937923 /nfs/dbraw/zinc/93/79/23/562937923.db2.gz VIMMECPCYZXUCI-MMKWGKFASA-N 0 0 438.434 3.070 1 0 in-vitro IGAFRN CCOc1cc2[nH]c(=O)n(CCCCC(=O)N3CCCCCC3)c(=O)c2cc1OCC ZINC000003958702 562940025 /nfs/dbraw/zinc/94/00/25/562940025.db2.gz ZFQDTKHRVRYUEW-UHFFFAOYSA-N 0 0 431.533 3.060 3 0 IGAFRN COC(=O)/C=C/c1cc2c(c(OC)c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H]2C(=O)OC ZINC000006006610 562945718 /nfs/dbraw/zinc/94/57/18/562945718.db2.gz PSIYZHFYCJVWJB-WZIVPHRBSA-N 0 0 428.437 3.289 1 0 IGAFRN COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccco2)N=C1c1ccccc1 ZINC000006040759 562945999 /nfs/dbraw/zinc/94/59/99/562945999.db2.gz UAUWSKGNVAADIY-ZHZULCJRSA-N 0 0 444.447 3.222 1 0 IGAFRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000008589693 562951381 /nfs/dbraw/zinc/95/13/81/562951381.db2.gz TXHFCLOWZBWNMU-OAHLLOKOSA-N 0 0 445.928 3.221 1 0 IGAFRN COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1 ZINC000009717046 562976018 /nfs/dbraw/zinc/97/60/18/562976018.db2.gz BIWLSWLSEVGBCM-INIZCTEOSA-N 0 0 425.510 3.060 3 0 IGAFRN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(C)cc1)c1ccc(C)cc1 ZINC000009837915 562977415 /nfs/dbraw/zinc/97/74/15/562977415.db2.gz GAJMLXYDHLTZRY-UHFFFAOYSA-N 0 0 426.542 3.155 3 0 IGAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(c3cccs3)=NO2)cc1 ZINC000012355005 562981190 /nfs/dbraw/zinc/98/11/90/562981190.db2.gz RAFHHQTYCHDRHG-KRWDZBQOSA-N 0 0 427.507 3.194 1 0 IGAFRN O=C(Nc1cccc2c1C(=O)c1c(-c3csc(Cl)c3)n[nH]c1-2)NN1CCOCC1 ZINC000012355146 562981324 /nfs/dbraw/zinc/98/13/24/562981324.db2.gz KXZVTRPKQGFPGX-UHFFFAOYSA-N 0 0 429.889 3.372 1 0 IGAFRN COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000012479627 562982453 /nfs/dbraw/zinc/98/24/53/562982453.db2.gz OIDIVTUHJXBJRN-FXAWDEMLSA-N 0 0 446.569 3.105 3 0 IGAFRN COc1ccc(CCN2C[C@H](C(=O)N(C)Cc3ccc4nsnc4c3)CCC2=O)cc1 ZINC000012744224 562983072 /nfs/dbraw/zinc/98/30/72/562983072.db2.gz CTRIUKCFBAUNNE-GOSISDBHSA-N 0 0 438.553 3.140 3 0 IGAFRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150667 562985409 /nfs/dbraw/zinc/98/54/09/562985409.db2.gz GRIJHYHYGPHKFU-LIRRHRJNSA-N 0 0 429.517 3.489 3 0 IGAFRN COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 ZINC000013523224 562991451 /nfs/dbraw/zinc/99/14/51/562991451.db2.gz VBMWRWYJANTSGH-UHFFFAOYSA-N 0 0 445.523 3.191 1 0 IGAFRN Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2N)n1 ZINC000013527728 562991773 /nfs/dbraw/zinc/99/17/73/562991773.db2.gz YWMITEJDOSKUIO-UHFFFAOYSA-N 0 0 447.520 3.330 1 0 IGAFRN O=C1C[C@]2(N1)C(=O)N(Cc1nc3cc(C(F)(F)F)ccc3s1)C(=O)c1ccc(F)cc12 ZINC000013601466 562996807 /nfs/dbraw/zinc/99/68/07/562996807.db2.gz QVTBUTYCMLEPQV-LJQANCHMSA-N 0 0 449.385 3.352 1 0 IGAFRN CCOC(=O)CCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 ZINC000013646397 562998692 /nfs/dbraw/zinc/99/86/92/562998692.db2.gz MXQNQGPRVZDOOS-UHFFFAOYSA-N 0 0 439.516 3.209 1 0 IGAFRN COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)cc2)c2ccccn2)CC1 ZINC000013740004 563003065 /nfs/dbraw/zinc/00/30/65/563003065.db2.gz QGHPJAYYKBFAQZ-UHFFFAOYSA-N 0 0 431.540 3.141 1 0 IGAFRN O=S(=O)(NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1 ZINC000013815858 563009270 /nfs/dbraw/zinc/00/92/70/563009270.db2.gz JIDSDCPOSIUPQK-UHFFFAOYSA-N 0 0 440.546 3.399 1 0 IGAFRN COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1 ZINC000013816490 563009352 /nfs/dbraw/zinc/00/93/52/563009352.db2.gz PDLCPOLAIKYXGA-NRFANRHFSA-N 0 0 440.496 3.468 3 0 IGAFRN CCOC(=O)N1CCN(C(=O)Cn2c3ncccc3nc2-c2ccc(Cl)cc2)CC1 ZINC000013824832 563010441 /nfs/dbraw/zinc/01/04/41/563010441.db2.gz JHFIVGGUVFRHFU-UHFFFAOYSA-N 0 0 427.892 3.052 1 0 IGAFRN O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 ZINC000013859884 563012414 /nfs/dbraw/zinc/01/24/14/563012414.db2.gz WLLPQVLLLQINAX-FQEVSTJZSA-N 0 0 446.544 3.240 1 0 IGAFRN Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 ZINC000013859891 563012426 /nfs/dbraw/zinc/01/24/26/563012426.db2.gz UCAOEOZGCIGAIW-NRFANRHFSA-N 0 0 442.581 3.409 1 0 IGAFRN O=C(CC[C@H]1CCc2cc3c([nH+]c2C1)NCCC3)NC[C@H](C(=O)[O-])c1ccc2c(c1)OCC2 ZINC000013860642 563012568 /nfs/dbraw/zinc/01/25/68/563012568.db2.gz ZIYZOTDZIZBOGY-IERDGZPVSA-N 0 0 449.551 3.244 1 0 IGAFRN CCOC(=O)[C@H](CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccc(N)cc1 ZINC000013863946 563013451 /nfs/dbraw/zinc/01/34/51/563013451.db2.gz GPXMHLKBVVKXLO-OAQYLSRUSA-N 0 0 449.555 3.298 1 0 IGAFRN CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CN(CC)C3)nc2c(=O)[nH]1 ZINC000014955538 563015788 /nfs/dbraw/zinc/01/57/88/563015788.db2.gz INLBUQIADGPECI-UHFFFAOYSA-N 0 0 438.532 3.414 1 0 IGAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2O ZINC000015262600 563017809 /nfs/dbraw/zinc/01/78/09/563017809.db2.gz BFELOFVXWJZJNF-JHWMDXGOSA-N 0 0 432.469 3.093 1 0 IGAFRN COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@H]1CO2 ZINC000022930650 563026311 /nfs/dbraw/zinc/02/63/11/563026311.db2.gz WZOMJNATDSYQHS-RWUVCDOXSA-N 0 0 449.551 3.146 1 0 IGAFRN CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O ZINC000026269137 563030371 /nfs/dbraw/zinc/03/03/71/563030371.db2.gz MHPNHTUJHCAAHH-UCFCWBNQSA-N 0 0 448.567 3.260 1 0 IGAFRN COC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(NS(C)(=O)=O)c(OC)c1 ZINC000026485043 563032301 /nfs/dbraw/zinc/03/23/01/563032301.db2.gz USGOCRZUDREISO-FQEVSTJZSA-N 0 0 429.498 3.262 1 0 IGAFRN COC(=O)[C@@H]1C[C@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CN1 ZINC000026719961 563035566 /nfs/dbraw/zinc/03/55/66/563035566.db2.gz BIOAAXSNIUOSRQ-ICSRJNTNSA-N 0 0 436.556 3.433 1 0 IGAFRN NC(=O)N[C@@]1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 ZINC000026825800 563036998 /nfs/dbraw/zinc/03/69/98/563036998.db2.gz IRZSOKYFEOAUAC-SANMLTNESA-N 0 0 445.567 3.477 1 0 IGAFRN C[C@]1(C[NH3+])CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027200189 563040593 /nfs/dbraw/zinc/04/05/93/563040593.db2.gz OMBXENWTQGMRPK-LJQANCHMSA-N 0 0 427.398 3.368 1 0 IGAFRN C/C(=C\c1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000027520095 563042682 /nfs/dbraw/zinc/04/26/82/563042682.db2.gz RIZYHNFRDUFGMK-JQIJEIRASA-N 0 0 449.507 3.449 1 0 IGAFRN COc1cc2nc(N(C)CCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC ZINC000027628138 563044742 /nfs/dbraw/zinc/04/47/42/563044742.db2.gz OWJGAVHQAXPOIA-UHFFFAOYSA-N 0 0 427.505 3.201 1 0 IGAFRN COC(=O)[C@@]12CCO[C@@H]1c1cc3c(cc1[C@H]2c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028101093 563050617 /nfs/dbraw/zinc/05/06/17/563050617.db2.gz IWLBHGYFPJEXDQ-KJXAQDMKSA-N 0 0 428.437 3.207 1 0 IGAFRN CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]3C[C@H](C4=CCOC4=O)OC=C3CC[C@H]12 ZINC000028382744 563054069 /nfs/dbraw/zinc/05/40/69/563054069.db2.gz ZDZWOGPGACJWQL-HZJABYRTSA-N 0 0 432.513 3.470 1 0 IGAFRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1C(=O)C[C@@H]1C(=O)OCc1ccccc1 ZINC000028522158 563056099 /nfs/dbraw/zinc/05/60/99/563056099.db2.gz HVVIMLFNXVLHDO-VWNXMTODSA-N 0 0 428.488 3.388 1 0 IGAFRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1C(=O)C[C@H]1C(=O)OCc1ccccc1 ZINC000028522155 563056124 /nfs/dbraw/zinc/05/61/24/563056124.db2.gz HVVIMLFNXVLHDO-UPVQGACJSA-N 0 0 428.488 3.388 1 0 IGAFRN CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)NCc1ccccc1F ZINC000028702149 563061489 /nfs/dbraw/zinc/06/14/89/563061489.db2.gz XRNKPYBIGCAELZ-LJQANCHMSA-N 0 0 426.448 3.254 1 0 IGAFRN CCc1ncnc(N[C@H](C)c2ccc(OC(=O)NCCOCCNC(C)=O)cc2)c1Cl ZINC000028887824 563068222 /nfs/dbraw/zinc/06/82/22/563068222.db2.gz MHQIAEIOEGDYDP-CQSZACIVSA-N 0 0 449.939 3.107 1 0 IGAFRN CC[C@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccccc1 ZINC000028895037 563068725 /nfs/dbraw/zinc/06/87/25/563068725.db2.gz NRABXXLHOILLKP-HKUYNNGSSA-N 0 0 443.931 3.327 1 0 IGAFRN OC[C@@H]1CC=C[C@@H]1n1cnc2c1ncnc2NCc1ccccc1I ZINC000029132056 563075777 /nfs/dbraw/zinc/07/57/77/563075777.db2.gz HNEJDCMBAFNXAC-ZFWWWQNUSA-N 0 0 447.280 3.153 1 0 IGAFRN COc1cc2c(cc1OC)-c1cc(Nc3cc(OC)c(OC)c(OC)c3)nc(=O)n1CC2 ZINC000029246824 563077217 /nfs/dbraw/zinc/07/72/17/563077217.db2.gz XLZCCFSZHNSHIE-UHFFFAOYSA-N 0 0 439.468 3.253 1 0 IGAFRN COc1ccc2cc([C@H](C)C(=O)OCCCCOC(=O)CN3CCOCC3)ccc2c1 ZINC000029318488 563077684 /nfs/dbraw/zinc/07/76/84/563077684.db2.gz UWGCHSIGSMWOTJ-SFHVURJKSA-N 0 0 429.513 3.151 1 0 IGAFRN C[C@H](C(=O)Nc1ccccc1)[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 ZINC000029326910 563078015 /nfs/dbraw/zinc/07/80/15/563078015.db2.gz SMNDSOQZBJYLJC-ZBEGNZNMSA-N 0 0 428.286 3.214 1 0 IGAFRN Cc1cc(C)c([S@](=O)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)c(C)c1 ZINC000031905674 563083844 /nfs/dbraw/zinc/08/38/44/563083844.db2.gz FIQAIBUCIBDYRD-CVONMXRASA-N 0 0 426.531 3.048 1 0 IGAFRN O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(F)cc(F)c2o1 ZINC000036351856 563093429 /nfs/dbraw/zinc/09/34/29/563093429.db2.gz ZHAIUYZIOBMBRX-UHFFFAOYSA-N 0 0 442.418 3.194 1 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3ccc(F)cc3NC(=O)[C@@]12C ZINC000036387362 563094621 /nfs/dbraw/zinc/09/46/21/563094621.db2.gz AMNCFZLEMXYIDB-AYFLJRIOSA-N 0 0 438.455 3.230 3 0 IGAFRN CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)NCCCCCNC(=O)OC(C)(C)C ZINC000036388200 563094785 /nfs/dbraw/zinc/09/47/85/563094785.db2.gz HNYJZVSJWGHBFX-UHFFFAOYSA-N 0 0 443.548 3.107 3 0 IGAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2)nc2n1CCS2 ZINC000036444501 563095284 /nfs/dbraw/zinc/09/52/84/563095284.db2.gz HWVQLFRPVKMJMA-UHFFFAOYSA-N 0 0 425.510 3.237 1 0 IGAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C ZINC000038513499 563097959 /nfs/dbraw/zinc/09/79/59/563097959.db2.gz OBSYBRPAKCASQB-RAVLWSPMSA-N 0 0 432.469 3.000 1 0 IGAFRN Cc1cc(C)cc(S(=O)(=O)c2c3cc(Cl)ccc3[nH]c2C(=O)N[C@H](C)CC(N)=O)c1 ZINC000040395289 563100755 /nfs/dbraw/zinc/10/07/55/563100755.db2.gz QXXKLWAJMOTPFM-CYBMUJFWSA-N 0 0 447.944 3.265 1 0 IGAFRN COC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C ZINC000040440513 563103705 /nfs/dbraw/zinc/10/37/05/563103705.db2.gz CDPQNSODMMXUTG-IMTWAQSISA-N 0 0 434.504 3.078 1 0 IGAFRN CCN(CC)c1nc2ccccc2c(NCCNC(=O)c2cc(O)c(OC)c(OC)c2)n1 ZINC000040465867 563103860 /nfs/dbraw/zinc/10/38/60/563103860.db2.gz GHYLHOMGXPTKRX-UHFFFAOYSA-N 0 0 439.516 3.041 1 0 IGAFRN [NH3+][C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1c1ccc(F)cc1 ZINC000040492219 563104196 /nfs/dbraw/zinc/10/41/96/563104196.db2.gz CBKGLSWJJCVAAM-YJBOKZPZSA-N 0 0 443.425 3.383 1 0 IGAFRN [NH3+][C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1c1ccccc1 ZINC000040651102 563105846 /nfs/dbraw/zinc/10/58/46/563105846.db2.gz FJHKBXPXIQCCFE-YJBOKZPZSA-N 0 0 425.435 3.244 1 0 IGAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(N2CCC2)CC1 ZINC000040874107 563109284 /nfs/dbraw/zinc/10/92/84/563109284.db2.gz WITNMAGOLNNLJI-UHFFFAOYSA-N 0 0 448.416 3.003 1 0 IGAFRN COC(=O)[C@@H]1C[C@@]2(Br)c3cc(Br)ccc3N3C(=N)C(C)(C)N1[C@H]32 ZINC000040937134 563112977 /nfs/dbraw/zinc/11/29/77/563112977.db2.gz NYSDFMKKZDPIDT-HZUKXOBISA-N 0 0 443.139 3.202 1 0 IGAFRN COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(C3CC3)cc2)cc1 ZINC000043178289 563119165 /nfs/dbraw/zinc/11/91/65/563119165.db2.gz DGHURJYXAQLSSM-OAQYLSRUSA-N 0 0 429.542 3.058 1 0 IGAFRN C[C@@H]1[NH2+]CCn2cc(-c3c(F)cc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)[O-])C4=O)cc21 ZINC000045298597 563128868 /nfs/dbraw/zinc/12/88/68/563128868.db2.gz WYONJDRKEQVPHY-IINYFYTJSA-N 0 0 449.429 3.426 1 0 IGAFRN CC(C)NC(=O)N1CCN(C(=O)CO[C@@H](c2cccs2)c2cccnc2Cl)CC1 ZINC000045302654 563129593 /nfs/dbraw/zinc/12/95/93/563129593.db2.gz MXMYDYCTSKPUFF-GOSISDBHSA-N 0 0 436.965 3.165 1 0 IGAFRN O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC3(CC2)Cc2ccccc2CO3)nn1 ZINC000045351452 563132336 /nfs/dbraw/zinc/13/23/36/563132336.db2.gz BCQSGWNKFDAIOL-QHCPKHFHSA-N 0 0 444.535 3.052 1 0 IGAFRN COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc21 ZINC000053298087 563141941 /nfs/dbraw/zinc/14/19/41/563141941.db2.gz RCKXKZDSVASWIU-UHFFFAOYSA-N 0 0 431.445 3.222 1 0 IGAFRN CC(C)c1cc(C(=O)N2Cc3ccc(OCCCN4CCOCC4)cc3C2)c(O)cc1O ZINC000058574677 563144785 /nfs/dbraw/zinc/14/47/85/563144785.db2.gz AMUHXLKGSWMZEA-UHFFFAOYSA-N 0 0 440.540 3.478 1 0 IGAFRN COc1cc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)COC(C)=O)cc(OC)c1OC ZINC000058583043 563145149 /nfs/dbraw/zinc/14/51/49/563145149.db2.gz LSUNDYSUIHSGPK-IBGZPJMESA-N 0 0 426.469 3.262 1 0 IGAFRN COc1ccc(CCCNC(=O)[C@]2(C)Cc3c(nccc3-c3ccc(C(N)=O)cc3)O2)cc1 ZINC000061906584 563148672 /nfs/dbraw/zinc/14/86/72/563148672.db2.gz ZNYPMXZMAUTFMM-SANMLTNESA-N 0 0 445.519 3.299 3 0 IGAFRN O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000061922789 563149492 /nfs/dbraw/zinc/14/94/92/563149492.db2.gz CUTMPUHEHQEQIE-NROSNUSPSA-N 0 0 442.556 3.259 3 0 IGAFRN O=C(Cn1cnc2c1ncnc2OCc1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000061947324 563151455 /nfs/dbraw/zinc/15/14/55/563151455.db2.gz KIBSHNYONMEAOY-UHFFFAOYSA-N 0 0 426.480 3.246 3 0 IGAFRN CCOC(=O)c1c(C)n2nc(N3CCOCC3)cc(-c3ccccc3)c2c1C(=O)OCC ZINC000064548748 563155504 /nfs/dbraw/zinc/15/55/04/563155504.db2.gz BAKQTKKGZJTTFK-UHFFFAOYSA-N 0 0 437.496 3.500 1 0 IGAFRN O=C1C(Cl)=C(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccnc(Cl)c1 ZINC000064637546 563156577 /nfs/dbraw/zinc/15/65/77/563156577.db2.gz BOHVBYYVMCGQEI-QPJJXVBHSA-N 0 0 443.334 3.390 1 0 IGAFRN Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)C(=O)N(C)CCC2 ZINC000066156800 563159693 /nfs/dbraw/zinc/15/96/93/563159693.db2.gz QPCQIBFESZKAHD-HNNXBMFYSA-N 0 0 436.556 3.245 1 0 in-vitro IGAFRN c1nocc1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1 ZINC000071316337 563161937 /nfs/dbraw/zinc/16/19/37/563161937.db2.gz IZXKZRFEKYIOCQ-UHFFFAOYSA-N 0 0 440.467 3.446 1 0 IGAFRN CN1C(=N)N[C@@](c2cnn(CCC3CCCCC3)c2)(c2cccc(-c3cncnc3)c2)C1=O ZINC000072180462 563166963 /nfs/dbraw/zinc/16/69/63/563166963.db2.gz IMPSJODCGOEHNO-RUZDIDTESA-N 0 0 443.555 3.341 1 0 IGAFRN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(C(=O)CNc2ccccc2N)c2ccccc12 ZINC000073220130 563170454 /nfs/dbraw/zinc/17/04/54/563170454.db2.gz AYLLPGXNIUFCIM-QFIPXVFZSA-N 0 0 447.495 3.167 1 0 IGAFRN CC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073297368 563172135 /nfs/dbraw/zinc/17/21/35/563172135.db2.gz PKHMXEAHOIRBKO-LOSJGSFVSA-N 0 0 444.531 3.318 1 0 IGAFRN C[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073298655 563172213 /nfs/dbraw/zinc/17/22/13/563172213.db2.gz SXOJFGMXGDJOOS-XXBNENTESA-N 0 0 430.504 3.389 1 0 IGAFRN CCc1nnc(SCC(=O)c2ccc(Cl)cc2)n1N1C(=O)c2ccccc2C1=O ZINC000084704298 563176730 /nfs/dbraw/zinc/17/67/30/563176730.db2.gz FYSMACUFVKEDRE-UHFFFAOYSA-N 0 0 426.885 3.401 1 0 IGAFRN CC(=O)c1cccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc32)c1 ZINC000084711832 563177554 /nfs/dbraw/zinc/17/75/54/563177554.db2.gz RAEOEBBAAKUVNC-UHFFFAOYSA-N 0 0 447.495 3.206 1 0 IGAFRN COC(CNC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1)OC ZINC000084759158 563179764 /nfs/dbraw/zinc/17/97/64/563179764.db2.gz NIIYCBQTFJYLLD-UHFFFAOYSA-N 0 0 443.481 3.106 1 0 IGAFRN COc1cc2nc(N3CCN(C(=O)/C(C)=C/c4cccs4)CC3)nc(N)c2cc1OC ZINC000095540144 563180746 /nfs/dbraw/zinc/18/07/46/563180746.db2.gz ATXUAEUPFPIXTL-SDNWHVSQSA-N 0 0 439.541 3.043 1 0 IGAFRN CC[C@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 ZINC000095552900 563181012 /nfs/dbraw/zinc/18/10/12/563181012.db2.gz IFBUOQDMVVSERY-LJQANCHMSA-N 0 0 437.544 3.134 1 0 IGAFRN CNC(=O)c1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000095557534 563181609 /nfs/dbraw/zinc/18/16/09/563181609.db2.gz ULDSCFMLAOPXCX-MRXNPFEDSA-N 0 0 435.571 3.209 1 0 IGAFRN O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000095565090 563183233 /nfs/dbraw/zinc/18/32/33/563183233.db2.gz DGOQDQPGDKAZKV-MRXNPFEDSA-N 0 0 426.822 3.403 1 0 IGAFRN CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(C)=O)ON1C ZINC000095588920 563189474 /nfs/dbraw/zinc/18/94/74/563189474.db2.gz DWNMKDORNDWOJA-QZTJIDSGSA-N 0 0 444.421 3.073 1 0 IGAFRN O=C(C1CCCCC1)N1[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3[C@H]2[C@H]1CO ZINC000095605428 563193984 /nfs/dbraw/zinc/19/39/84/563193984.db2.gz CFXSFUPMRVHHHN-YTFSRNRJSA-N 0 0 440.565 3.131 1 0 IGAFRN CCOC(=O)C(C(=O)OCC)c1cc(CN2C(=O)c3ccccc3C2=O)c2ccccc2n1 ZINC000095872289 563194691 /nfs/dbraw/zinc/19/46/91/563194691.db2.gz BQUSHNVLMASLEK-UHFFFAOYSA-N 0 0 446.459 3.241 1 0 IGAFRN CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cnc4c(Cl)c[nH]c4c3)CC1)C2 ZINC000096283389 563197175 /nfs/dbraw/zinc/19/71/75/563197175.db2.gz OGEMYMVKDPFQRH-UHFFFAOYSA-N 0 0 440.935 3.129 1 0 IGAFRN COc1cc2c(c(OC)c1)C(=O)N(c1ccc3nc(NC(=O)C4CC4)sc3c1)C(=O)C2 ZINC000096929792 563198654 /nfs/dbraw/zinc/19/86/54/563198654.db2.gz PYXNEALOAHLRIH-UHFFFAOYSA-N 0 0 437.477 3.392 1 0 IGAFRN COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)c2ncn(CCO)c21 ZINC000096932382 563198795 /nfs/dbraw/zinc/19/87/95/563198795.db2.gz BZSQTXACBIQUHE-UHFFFAOYSA-N 0 0 425.441 3.385 1 0 IGAFRN CC[C@H](Cc1ccc(O)c(OC)c1)[C@H](O)C[C@@H](O)CCc1cc(OC)c(O)c(OC)c1 ZINC000085595761 291355667 /nfs/dbraw/zinc/35/56/67/291355667.db2.gz MFCJDUXQCIFTJS-WSTZPKSXSA-N 0 0 434.529 3.437 1 0 biogenic,in-vitro IGAFRN C/C(=C(/CCO)SCCC(=O)c1ccc(C)cc1)N(C=O)Cc1cnc(C)nc1N ZINC000001756087 560184669 /nfs/dbraw/zinc/18/46/69/560184669.db2.gz PSFMECZYSPXRNW-LTGZKZEYSA-N 0 0 428.558 3.254 1 0 in-vitro IGAFRN O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000000602032 562918702 /nfs/dbraw/zinc/91/87/02/562918702.db2.gz YDCGVASFVACWKF-NRFANRHFSA-N 0 0 443.906 3.285 1 0 in-vivo IGAFRN O=C(Nc1cccc(C(=O)NCCCO)c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000001858126 562924965 /nfs/dbraw/zinc/92/49/65/562924965.db2.gz JKUSUWXNDPCFFL-QJOMJCCJSA-N 0 0 443.503 3.208 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641391 562937197 /nfs/dbraw/zinc/93/71/97/562937197.db2.gz VNNRNHSLBICHPY-OBWOGIPDSA-N 0 0 440.776 3.247 1 0 IGAFRN CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1ccc(OC)cc1 ZINC000003797888 562938121 /nfs/dbraw/zinc/93/81/21/562938121.db2.gz KRDSMNXOYCOKAK-VGSWGCGISA-N 0 0 447.626 3.434 1 0 IGAFRN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O ZINC000003958474 562940019 /nfs/dbraw/zinc/94/00/19/562940019.db2.gz YZHNTCMHCNIXKH-FGZHOGPDSA-N 0 0 432.480 3.351 3 0 IGAFRN Cc1c2cc(S(=O)(=O)N3CCCC3)ccc2oc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000004115450 562942141 /nfs/dbraw/zinc/94/21/41/562942141.db2.gz XVYNNRGCPKEYRC-UHFFFAOYSA-N 0 0 442.493 3.184 3 0 IGAFRN COc1ccc(OC)c(NC(=O)Cn2c3c(c(C)nn3C)c(-c3ccccc3)cc2=O)c1 ZINC000008604935 562956501 /nfs/dbraw/zinc/95/65/01/562956501.db2.gz FIUNWKQQJJKNPC-UHFFFAOYSA-N 0 0 432.480 3.366 1 0 IGAFRN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000009837933 562977447 /nfs/dbraw/zinc/97/74/47/562977447.db2.gz BIMDWWKWELRPKV-MRXNPFEDSA-N 0 0 426.542 3.408 3 0 IGAFRN C/C=C(\C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478573 562989121 /nfs/dbraw/zinc/98/91/21/562989121.db2.gz DSFFWWOIOLQVSQ-IFPXNFQRSA-N 0 0 440.544 3.121 3 0 IGAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3[nH]c(=O)[nH]c32)CC1 ZINC000013528823 562991913 /nfs/dbraw/zinc/99/19/13/562991913.db2.gz ZMZNIVUUSYZKIG-UHFFFAOYSA-N 0 0 431.456 3.157 1 0 IGAFRN COc1ccc(OC)c(S(=O)(=O)N2CCC(N3C(=O)OCc4cccc(C)c43)CC2)c1 ZINC000013611819 562997985 /nfs/dbraw/zinc/99/79/85/562997985.db2.gz VCZNWSVEHSSSBT-UHFFFAOYSA-N 0 0 446.525 3.322 1 0 IGAFRN COC(=O)c1ccccc1NC(=O)CN1CCC(N2C(=O)OCc3cccc(C)c32)CC1 ZINC000013612763 562998057 /nfs/dbraw/zinc/99/80/57/562998057.db2.gz KAXIAXHHJUTKKU-UHFFFAOYSA-N 0 0 437.496 3.341 1 0 IGAFRN O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)c1c2cccc1Cl ZINC000013651425 562999181 /nfs/dbraw/zinc/99/91/81/562999181.db2.gz AJENNFYNQIQZAC-GOSISDBHSA-N 0 0 437.652 3.073 1 0 IGAFRN CN1CCN(C(=O)C2=C[C@@H](C3CCCCC3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656940 562999442 /nfs/dbraw/zinc/99/94/42/562999442.db2.gz ZSMKKCQOPNRRTC-VWNXMTODSA-N 0 0 428.573 3.296 3 0 IGAFRN O=C(NCCN1CCOCC1)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829098 563010919 /nfs/dbraw/zinc/01/09/19/563010919.db2.gz HYAWSCSTPPFRAZ-WQLLJXGDSA-N 0 0 426.479 3.106 3 0 IGAFRN CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC ZINC000013833736 563011837 /nfs/dbraw/zinc/01/18/37/563011837.db2.gz YKHIXAGPCBUIAJ-OALUTQOASA-N 0 0 434.533 3.135 1 0 IGAFRN CC[NH2+]CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964455 563016261 /nfs/dbraw/zinc/01/62/61/563016261.db2.gz FVGLFZIOTFXSLP-UHFFFAOYSA-N 0 0 431.558 3.476 1 0 IGAFRN CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c1ncnc2N ZINC000014974543 563016778 /nfs/dbraw/zinc/01/67/78/563016778.db2.gz FONWXTBTYUBXDF-UHFFFAOYSA-N 0 0 435.922 3.171 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N(C)Cc1ccccc1)C(=O)OC(C)(C)C ZINC000015953052 563020417 /nfs/dbraw/zinc/02/04/17/563020417.db2.gz BEEQQVCKHQMGMF-KRWDZBQOSA-N 0 0 428.533 3.168 3 0 IGAFRN CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc21 ZINC000026287061 563030828 /nfs/dbraw/zinc/03/08/28/563030828.db2.gz JESHDLWVNNQEEX-YGOYIFOWSA-N 0 0 448.567 3.130 1 0 IGAFRN CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 ZINC000026403891 563031903 /nfs/dbraw/zinc/03/19/03/563031903.db2.gz WEGSBUBJYGWBQE-UHFFFAOYSA-N 0 0 425.577 3.042 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000026716148 563035520 /nfs/dbraw/zinc/03/55/20/563035520.db2.gz YBHBUGPAORYSHF-PRCJDROHSA-N 0 0 448.412 3.330 1 0 IGAFRN O=C([O-])c1c2n(c3cc(N4CC[NH2+]CC4)c(F)cc3c1=O)[C@H](c1ccc(F)cc1)S2 ZINC000027525966 563043307 /nfs/dbraw/zinc/04/33/07/563043307.db2.gz GDHCLNWKEUXYPH-IBGZPJMESA-N 0 0 429.448 3.040 1 0 IGAFRN COC(=O)/C=C/C=C/CC[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000027627205 563044667 /nfs/dbraw/zinc/04/46/67/563044667.db2.gz VCSJUKUUUSXUFT-AOHZKELYSA-N 0 0 436.932 3.059 1 0 IGAFRN COC(=O)C/C=C/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000027627066 563044681 /nfs/dbraw/zinc/04/46/81/563044681.db2.gz FDLAWQMKYQSKSJ-KGOMSZLASA-N 0 0 436.932 3.059 1 0 IGAFRN CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(S(C)(=O)=O)cc1 ZINC000027873958 563047665 /nfs/dbraw/zinc/04/76/65/563047665.db2.gz VHLWWNWUKRMLBF-FQEVSTJZSA-N 0 0 430.526 3.353 1 0 IGAFRN COCCNc1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br ZINC000028087536 563050223 /nfs/dbraw/zinc/05/02/23/563050223.db2.gz PCNPXYIXDXEXKI-UHFFFAOYSA-N 0 0 434.338 3.372 1 0 IGAFRN CC(C)OC[C@@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 ZINC000028119776 563051032 /nfs/dbraw/zinc/05/10/32/563051032.db2.gz BNHVGZWYAQDQAN-SFHVURJKSA-N 0 0 435.952 3.108 1 0 IGAFRN COc1ccc([C@@H]2Sc3ccccc3N(CCOC(C)=O)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000028221763 563051762 /nfs/dbraw/zinc/05/17/62/563051762.db2.gz YLUJWLVIMYSNGT-RTWAWAEBSA-N 0 0 429.494 3.370 1 0 IGAFRN COc1ccc(Cl)cc1N1CCN(CCNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000028467201 563055344 /nfs/dbraw/zinc/05/53/44/563055344.db2.gz BARVOJAMJAOCIC-UHFFFAOYSA-N 0 0 441.915 3.007 1 0 IGAFRN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1OC ZINC000028522777 563056081 /nfs/dbraw/zinc/05/60/81/563056081.db2.gz NSAZUOVLMZKJRI-RTBURBONSA-N 0 0 449.459 3.199 1 0 IGAFRN CCOC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000028525850 563056765 /nfs/dbraw/zinc/05/67/65/563056765.db2.gz RFBGZVOYPOBALZ-WFOQEEKOSA-N 0 0 446.496 3.390 1 0 IGAFRN COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)N(C(C)C)C(C)C)C1)N2 ZINC000028529881 563057444 /nfs/dbraw/zinc/05/74/44/563057444.db2.gz OKTOVKZHGZZQQT-QHCPKHFHSA-N 0 0 441.532 3.489 1 0 IGAFRN COc1c2ccoc2c(OC)c2oc(-c3cccnc3)c(CN3CCN(C)CC3)c(=O)c12 ZINC000028712693 563062964 /nfs/dbraw/zinc/06/29/64/563062964.db2.gz RRLAGHBPHZEZGF-UHFFFAOYSA-N 0 0 435.480 3.366 1 0 IGAFRN COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)OC)c3)s2)C1=O ZINC000029043990 563072436 /nfs/dbraw/zinc/07/24/36/563072436.db2.gz VJWCYQVTUPPPSH-NVNXTCNLSA-N 0 0 433.463 3.117 1 0 IGAFRN CNC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000029223964 563076801 /nfs/dbraw/zinc/07/68/01/563076801.db2.gz ZTNJOBDPFNTJGQ-HNNXBMFYSA-N 0 0 430.526 3.378 1 0 IGAFRN COc1cccc2c1CC[C@H]1C[N@H+](CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)C[C@H]21 ZINC000029345951 563078643 /nfs/dbraw/zinc/07/86/43/563078643.db2.gz WIRHRVAPDHCAEN-KXBFYZLASA-N 0 0 430.508 3.254 1 0 IGAFRN CSc1ccc2c(c1)ncn([C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F)c2=O ZINC000029547526 563081764 /nfs/dbraw/zinc/08/17/64/563081764.db2.gz RFVVIFXWMZRBAV-LRTDBIEQSA-N 0 0 443.479 3.137 1 0 IGAFRN Cc1ccc(-c2nnn(CC(=O)N([C@@H](C)C(=O)NC3CCCC3)C3CCCCC3)n2)cc1 ZINC000033636538 563084592 /nfs/dbraw/zinc/08/45/92/563084592.db2.gz OYZHEVBWHINBJA-SFHVURJKSA-N 0 0 438.576 3.257 1 0 IGAFRN CCCn1c2[nH]c(-c3cnn(Cc4cccc(Cl)c4F)c3)nc2c(=O)n(CCC)c1=O ZINC000036124071 563091059 /nfs/dbraw/zinc/09/10/59/563091059.db2.gz GIBLVHBJGYMTSZ-UHFFFAOYSA-N 0 0 444.898 3.411 1 0 IGAFRN O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(Cn3ccnc3)ccc2C1 ZINC000036126694 563091193 /nfs/dbraw/zinc/09/11/93/563091193.db2.gz GCYKFPCFTPBZFL-VWLOTQADSA-N 0 0 432.543 3.315 1 0 IGAFRN O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000036126726 563091227 /nfs/dbraw/zinc/09/12/27/563091227.db2.gz UDROTHQORZMMBF-UHFFFAOYSA-N 0 0 438.455 3.098 1 0 IGAFRN COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036384313 563094315 /nfs/dbraw/zinc/09/43/15/563094315.db2.gz JTMFNAQPJIYEHC-QFBILLFUSA-N 0 0 425.485 3.243 3 0 IGAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCO)C1=O)OCc1ccccc1 ZINC000038731790 563098156 /nfs/dbraw/zinc/09/81/56/563098156.db2.gz ZLTJPOXBSZYJED-QHCPKHFHSA-N 0 0 429.476 3.115 1 0 IGAFRN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCN3CCOCC3)c1cc2-c1ccccc1 ZINC000040422264 563102404 /nfs/dbraw/zinc/10/24/04/563102404.db2.gz BCPILSQMLBGEMM-UHFFFAOYSA-N 0 0 441.487 3.383 1 0 IGAFRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)nn2C)c1 ZINC000040422581 563102439 /nfs/dbraw/zinc/10/24/39/563102439.db2.gz BQFQWWWYWGFNMK-GFCCVEGCSA-N 0 0 430.452 3.254 1 0 IGAFRN COc1cc(-c2nc(C(=O)NCCO)cc3c4ccccc4n(C)c32)cc(OC)c1OC ZINC000040423707 563102772 /nfs/dbraw/zinc/10/27/72/563102772.db2.gz SXSXVJSBWCXETI-UHFFFAOYSA-N 0 0 435.480 3.141 1 0 IGAFRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000040863662 563108557 /nfs/dbraw/zinc/10/85/57/563108557.db2.gz KFTJUHRBTZLHBL-SFTDATJTSA-N 0 0 430.504 3.497 1 0 IGAFRN Cc1ccc2ccc(C(=O)NCCCNC(=O)c3ccc4ccc(C)nc4c3O)c(O)c2n1 ZINC000040878747 563109671 /nfs/dbraw/zinc/10/96/71/563109671.db2.gz YLORZWZIAPQLEK-UHFFFAOYSA-N 0 0 444.491 3.361 1 0 IGAFRN CCOc1cc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 ZINC000040936643 563112849 /nfs/dbraw/zinc/11/28/49/563112849.db2.gz PPKABVGOUVBEEX-OBWXTZQISA-N 0 0 446.496 3.206 1 0 in-vivo IGAFRN CCOC(=O)C[C@H]1c2cc(-c3cc(O)cc(OC)c3)ccc2OC(N)=C1C(=O)OCC ZINC000043119920 563118712 /nfs/dbraw/zinc/11/87/12/563118712.db2.gz FGNWOYHFWZIEBO-SFHVURJKSA-N 0 0 427.453 3.230 1 0 IGAFRN COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(C3CC3)cc2)cc1 ZINC000043178287 563119171 /nfs/dbraw/zinc/11/91/71/563119171.db2.gz DGHURJYXAQLSSM-NRFANRHFSA-N 0 0 429.542 3.058 1 0 IGAFRN Nc1nc(NCc2ccccc2-c2ccccc2)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000045245382 563126494 /nfs/dbraw/zinc/12/64/94/563126494.db2.gz KSQQAJZMSMCHHK-NRFANRHFSA-N 0 0 440.507 3.354 1 0 IGAFRN C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000045245773 563126636 /nfs/dbraw/zinc/12/66/36/563126636.db2.gz MGDUJCIFDFSDIF-WYYMBOBCSA-N 0 0 436.560 3.092 1 0 IGAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2c[n+]([O-])ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045284587 563128097 /nfs/dbraw/zinc/12/80/97/563128097.db2.gz VGXKDVILUDFEGF-GOSISDBHSA-N 0 0 436.415 3.389 1 0 IGAFRN COc1cc2cccnc2c(N(C(C)=O)[C@@H](C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c1 ZINC000045316755 563129851 /nfs/dbraw/zinc/12/98/51/563129851.db2.gz VGINQQNRFGRYCP-INIZCTEOSA-N 0 0 440.544 3.192 1 0 IGAFRN O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc4O3)CC2)nn1 ZINC000045389119 563134006 /nfs/dbraw/zinc/13/40/06/563134006.db2.gz JROGONHUURMXMQ-JOCHJYFZSA-N 0 0 442.519 3.385 1 0 IGAFRN C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033468 563135962 /nfs/dbraw/zinc/13/59/62/563135962.db2.gz ZHQUHDHFPDBIHU-AASCXOORSA-N 0 0 430.541 3.398 1 0 IGAFRN CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)[C@@H](O)CCS4)c(N)cc2C1 ZINC000049036179 563136378 /nfs/dbraw/zinc/13/63/78/563136378.db2.gz ZQJSDLBHDJRCMP-NRFANRHFSA-N 0 0 427.570 3.203 1 0 IGAFRN CC(C)C(=O)Nc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2 ZINC000049036423 563136463 /nfs/dbraw/zinc/13/64/63/563136463.db2.gz RWLKOGVBOMMSBN-UHFFFAOYSA-N 0 0 437.525 3.228 1 0 IGAFRN CN(CCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059050237 563146103 /nfs/dbraw/zinc/14/61/03/563146103.db2.gz LIIPJRGDIBVXJX-GOSISDBHSA-N 0 0 437.584 3.451 1 0 IGAFRN CC(C)CNc1ncnc2c1ncn2[C@H]1CN(Cc2cccc3ccccc32)C[C@@H](CO)O1 ZINC000061904997 563148248 /nfs/dbraw/zinc/14/82/48/563148248.db2.gz ACSBDKNWPYTXGO-RBBKRZOGSA-N 0 0 446.555 3.439 3 0 IGAFRN CNC(=O)c1cn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(N4CCOCC4)c3)nc1-2 ZINC000064527923 563154696 /nfs/dbraw/zinc/15/46/96/563154696.db2.gz DQTYIXJUPCXXJY-UHFFFAOYSA-N 0 0 446.555 3.256 1 0 IGAFRN CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3cnc(-c4ccccc4)nc3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064573184 563156395 /nfs/dbraw/zinc/15/63/95/563156395.db2.gz HEWIKQVOIIIXKS-ZQGJOIPISA-N 0 0 440.927 3.320 1 0 IGAFRN CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3ccc(Cl)cn3)sc2C1 ZINC000066066086 563157000 /nfs/dbraw/zinc/15/70/00/563157000.db2.gz KVRLJVLRGCJUNO-UHFFFAOYSA-N 0 0 441.944 3.362 1 0 IGAFRN CN1CCc2nc(C(=O)N3CCC[C@H](CNC(=O)c4ccc(Cl)s4)C3)sc2C1 ZINC000066073869 563157301 /nfs/dbraw/zinc/15/73/01/563157301.db2.gz AQVYWNBOLPUAFC-GFCCVEGCSA-N 0 0 439.006 3.128 1 0 IGAFRN Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc1 ZINC000066136523 563159438 /nfs/dbraw/zinc/15/94/38/563159438.db2.gz QUZXWQMDELKGNV-SFHVURJKSA-N 0 0 439.581 3.194 1 0 IGAFRN CC(C)S(=O)(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185111 563167975 /nfs/dbraw/zinc/16/79/75/563167975.db2.gz ZRYWVKVXIDTJOI-LJQANCHMSA-N 0 0 442.507 3.377 1 0 IGAFRN O=C(c1cccn2cc(Br)nc12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073311337 563172304 /nfs/dbraw/zinc/17/23/04/563172304.db2.gz HIONYOLIXOOIAZ-UHFFFAOYSA-N 0 0 449.299 3.376 1 0 IGAFRN C[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073313013 563172352 /nfs/dbraw/zinc/17/23/52/563172352.db2.gz SXOJFGMXGDJOOS-AUSIDOKSSA-N 0 0 430.504 3.389 1 0 IGAFRN O=C(NCc1ccc(OC(F)F)nc1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095552875 563180870 /nfs/dbraw/zinc/18/08/70/563180870.db2.gz OUYULONQGHHEEU-FQEVSTJZSA-N 0 0 438.434 3.134 1 0 IGAFRN O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000095565089 563183247 /nfs/dbraw/zinc/18/32/47/563183247.db2.gz DGOQDQPGDKAZKV-INIZCTEOSA-N 0 0 426.822 3.403 1 0 IGAFRN CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C)c2C)CC1 ZINC000095566450 563183480 /nfs/dbraw/zinc/18/34/80/563183480.db2.gz NIJZAQQVGMUHPJ-HXUWFJFHSA-N 0 0 434.544 3.324 3 0 IGAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095570687 563184349 /nfs/dbraw/zinc/18/43/49/563184349.db2.gz VOGLKAHTCYVPDY-OSPHWJPCSA-N 0 0 440.496 3.463 3 0 IGAFRN N=C1N[C@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095571842 563184618 /nfs/dbraw/zinc/18/46/18/563184618.db2.gz ZPBOQODCXCRRAT-GUBFDYSESA-N 0 0 441.915 3.492 1 0 IGAFRN COc1ccc(NC(=O)[C@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)cc1 ZINC000095572356 563184791 /nfs/dbraw/zinc/18/47/91/563184791.db2.gz NGJKWXIPEUHCJA-LBPRGKRZSA-N 0 0 438.875 3.210 1 0 IGAFRN COc1ccccc1NC(=O)[C@H](C)Nc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1 ZINC000095580392 563187264 /nfs/dbraw/zinc/18/72/64/563187264.db2.gz JELIMQMIOWYCLR-LBPRGKRZSA-N 0 0 438.875 3.210 1 0 IGAFRN COc1cccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000095581373 563187608 /nfs/dbraw/zinc/18/76/08/563187608.db2.gz IVYLWWJYZKLPSW-UHFFFAOYSA-N 0 0 439.600 3.062 1 0 IGAFRN COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(Cl)cc5)c-4ncnc32)cc1 ZINC000095581997 563187767 /nfs/dbraw/zinc/18/77/67/563187767.db2.gz MAHNNMJJLRBDIE-UHFFFAOYSA-N 0 0 432.871 3.246 1 0 IGAFRN CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cc(Cl)cc4[nH]ccc43)n2)CC1 ZINC000095583073 563188190 /nfs/dbraw/zinc/18/81/90/563188190.db2.gz WSRHQGRBRHLTQV-UHFFFAOYSA-N 0 0 432.933 3.149 1 0 IGAFRN Cc1nn2c(nc(N3CCOCC3)cc2NC(N)=O)c1Cc1cccc(C(F)(F)F)c1C ZINC000095583338 563188311 /nfs/dbraw/zinc/18/83/11/563188311.db2.gz VIEGYIWZNHQHQH-UHFFFAOYSA-N 0 0 448.449 3.283 1 0 IGAFRN COc1ccccc1CN1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000095585707 563188933 /nfs/dbraw/zinc/18/89/33/563188933.db2.gz YWYSDGQCQVTDFH-UHFFFAOYSA-N 0 0 439.600 3.062 1 0 IGAFRN CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(C)=O)ON1C ZINC000095588599 563189426 /nfs/dbraw/zinc/18/94/26/563189426.db2.gz DWNMKDORNDWOJA-MSOLQXFVSA-N 0 0 444.421 3.073 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCCc2ccccc2F)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593650 563190787 /nfs/dbraw/zinc/19/07/87/563190787.db2.gz RGEJLLUAOKLHFK-MZNJEOGPSA-N 0 0 445.487 3.247 1 0 IGAFRN CNc1nc(C(F)(F)F)c(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1 ZINC000095601088 563192738 /nfs/dbraw/zinc/19/27/38/563192738.db2.gz FPHITTVVVWKENE-UHFFFAOYSA-N 0 0 430.437 3.052 1 0 IGAFRN Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000095602417 563193129 /nfs/dbraw/zinc/19/31/29/563193129.db2.gz QOALTQUFKZBWRZ-XMMPIXPASA-N 0 0 432.528 3.158 3 0 IGAFRN Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000095602416 563193131 /nfs/dbraw/zinc/19/31/31/563193131.db2.gz QOALTQUFKZBWRZ-DEOSSOPVSA-N 0 0 432.528 3.158 3 0 IGAFRN COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3C)cc1 ZINC000095603009 563193366 /nfs/dbraw/zinc/19/33/66/563193366.db2.gz JOIATRKTNHHHEU-GPUOULLFSA-N 0 0 436.552 3.489 1 0 IGAFRN Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H](C(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095604113 563193638 /nfs/dbraw/zinc/19/36/38/563193638.db2.gz DHLVMDMWBLSKNZ-RTWAWAEBSA-N 0 0 437.583 3.149 3 0 IGAFRN COC(=O)CCC/C=C\C[C@@H]1[C@@H](CCC2(COc3ccccc3)OCCO2)[C@H](O)C[C@@H]1O ZINC000095786276 563194456 /nfs/dbraw/zinc/19/44/56/563194456.db2.gz KXVSITQINMBIJC-FUGMMIETSA-N 0 0 448.556 3.236 1 0 IGAFRN COc1ccc2c(c1)[nH]c1c2C2(CN(C(C)=O)C2)CN(Cc2ccccc2Cl)[C@H]1CO ZINC000095865245 563194542 /nfs/dbraw/zinc/19/45/42/563194542.db2.gz JSXHTEDYJARPFB-NRFANRHFSA-N 0 0 439.943 3.479 1 0 IGAFRN CSc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1 ZINC000000589799 562918328 /nfs/dbraw/zinc/91/83/28/562918328.db2.gz RJTNBPZVAKKVNU-UHFFFAOYSA-N 0 0 443.472 3.420 1 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2ccc(Br)cc12 ZINC000003591480 562936686 /nfs/dbraw/zinc/93/66/86/562936686.db2.gz OLEQTQPSKHWASS-UHFFFAOYSA-N 0 0 440.297 3.098 1 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(Br)c12 ZINC000003591453 562936697 /nfs/dbraw/zinc/93/66/97/562936697.db2.gz CYIVBPAYCCHZOQ-UHFFFAOYSA-N 0 0 440.297 3.098 1 0 IGAFRN O=C1NC(=O)C(=C2CN(Cc3ccc(Cl)s3)S(=O)(=O)c3ccccc32)S1 ZINC000003630159 562936977 /nfs/dbraw/zinc/93/69/77/562936977.db2.gz CQBCMTOXMHGHJO-KAMYIIQDSA-N 0 0 426.928 3.300 1 0 IGAFRN NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(Br)c2)cc1 ZINC000003814622 562938525 /nfs/dbraw/zinc/93/85/25/562938525.db2.gz GAJUPZYRMFPEFR-UHFFFAOYSA-N 0 0 447.236 3.363 1 0 IGAFRN CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1 ZINC000004111087 562942067 /nfs/dbraw/zinc/94/20/67/562942067.db2.gz MCRIQFCHAWUXGT-UHFFFAOYSA-N 0 0 449.507 3.350 3 0 IGAFRN COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccc(OC)cc3)nc21 ZINC000004238610 562942910 /nfs/dbraw/zinc/94/29/10/562942910.db2.gz HFJUUHQPAHYNAU-UHFFFAOYSA-N 0 0 432.480 3.419 1 0 IGAFRN CC(=O)N[C@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2nc(C)cc(C)n2)CC1 ZINC000004399669 562943207 /nfs/dbraw/zinc/94/32/07/562943207.db2.gz KSGRTNQHGYGTKP-HSZRJFAPSA-N 0 0 437.588 3.049 3 0 IGAFRN COc1ccccc1NC(=O)C1CCC(CNc2c(=O)c(=O)c2N2CCCCC2)CC1 ZINC000004956486 562943716 /nfs/dbraw/zinc/94/37/16/562943716.db2.gz OQOIRLLAYYSGJJ-UHFFFAOYSA-N 0 0 425.529 3.139 3 0 IGAFRN COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)NC(=S)NC3=O)cc1 ZINC000005924744 562945430 /nfs/dbraw/zinc/94/54/30/562945430.db2.gz OANOGOKZZAEWTE-RTBURBONSA-N 0 0 438.505 3.292 1 0 IGAFRN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)c(OC)c1 ZINC000006577657 562947797 /nfs/dbraw/zinc/94/77/97/562947797.db2.gz JKFAMQGYXBQYOP-GOSISDBHSA-N 0 0 441.509 3.044 3 0 IGAFRN CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Br)cc3)cc2c1 ZINC000008586249 562950147 /nfs/dbraw/zinc/95/01/47/562950147.db2.gz DYYYWXDVHHFXJA-UHFFFAOYSA-N 0 0 445.313 3.324 3 0 IGAFRN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCc1ccccc1Cl)nc2C ZINC000008593657 562952838 /nfs/dbraw/zinc/95/28/38/562952838.db2.gz DBHTXUFFIKTSSY-UHFFFAOYSA-N 0 0 435.915 3.211 1 0 IGAFRN COc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccon4)c3C3CC3)n2)cc1F ZINC000011868952 562979669 /nfs/dbraw/zinc/97/96/69/562979669.db2.gz BSTOHCLNIBHYJX-UHFFFAOYSA-N 0 0 434.431 3.272 1 0 IGAFRN O=S(=O)(NCCCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1 ZINC000012068831 562980573 /nfs/dbraw/zinc/98/05/73/562980573.db2.gz BWGVOYZSKWZMEK-UHFFFAOYSA-N 0 0 427.545 3.470 1 0 IGAFRN COc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCCCCNC(=O)OC(C)(C)C)cc1 ZINC000012726039 562983076 /nfs/dbraw/zinc/98/30/76/562983076.db2.gz OMZUKNGTYJFVBS-UHFFFAOYSA-N 0 0 445.520 3.095 3 0 IGAFRN COC[C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O ZINC000013471941 562987889 /nfs/dbraw/zinc/98/78/89/562987889.db2.gz DFIPAYGHEIHLSB-CYBMUJFWSA-N 0 0 449.403 3.014 1 0 IGAFRN Cc1ccc(C2=NO[C@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)cc1 ZINC000013489907 562990095 /nfs/dbraw/zinc/99/00/95/562990095.db2.gz RWYRRHYQCAZVOQ-NRFANRHFSA-N 0 0 435.505 3.441 1 0 IGAFRN CNC(=O)CCCn1c(=O)c2cn(Cc3cccc4ccccc43)cc2n(CC(C)C)c1=O ZINC000013603341 562997055 /nfs/dbraw/zinc/99/70/55/562997055.db2.gz CIPIMGZIDSONAW-UHFFFAOYSA-N 0 0 446.551 3.348 1 0 IGAFRN CCCn1c(=O)c2c([nH]c3nc(-c4ccc(OC)cc4)cn32)n(Cc2ccccc2)c1=O ZINC000013648051 562998789 /nfs/dbraw/zinc/99/87/89/562998789.db2.gz MOSPFLQQFAUCCI-UHFFFAOYSA-N 0 0 429.480 3.273 1 0 IGAFRN CN1CCN(C(=O)C2=C[C@H](C3CCCCC3)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656888 562999434 /nfs/dbraw/zinc/99/94/34/562999434.db2.gz ZSMKKCQOPNRRTC-LADGPHEKSA-N 0 0 428.573 3.296 3 0 IGAFRN COCCNC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 ZINC000013660873 562999585 /nfs/dbraw/zinc/99/95/85/562999585.db2.gz BHQPDRZCXLZSOL-UHFFFAOYSA-N 0 0 425.510 3.273 3 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C@H](O)c1nccs1 ZINC000013738808 563002861 /nfs/dbraw/zinc/00/28/61/563002861.db2.gz APRVRUVZWFSCQI-ZJOUEHCJSA-N 0 0 427.570 3.181 1 0 IGAFRN Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000015927970 563018377 /nfs/dbraw/zinc/01/83/77/563018377.db2.gz CEWMFCSXOXUMBL-IZZDOVSWSA-N 0 0 449.370 3.304 1 0 IGAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000015936691 563018993 /nfs/dbraw/zinc/01/89/93/563018993.db2.gz OFLUTENOCTXOII-CWMLTSOLSA-N 0 0 436.464 3.165 3 0 IGAFRN COCCCNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccsc21 ZINC000020922174 563025159 /nfs/dbraw/zinc/02/51/59/563025159.db2.gz NGEUNXZKWUYHMR-UHFFFAOYSA-N 0 0 431.543 3.237 1 0 IGAFRN NC(=O)N[C@]1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 ZINC000026825805 563037026 /nfs/dbraw/zinc/03/70/26/563037026.db2.gz IRZSOKYFEOAUAC-AREMUKBSSA-N 0 0 445.567 3.477 1 0 IGAFRN CC[NH2+]C[C@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OCC)C1 ZINC000027519521 563042687 /nfs/dbraw/zinc/04/26/87/563042687.db2.gz IMLLLOYBXZAGOC-CQSZACIVSA-N 0 0 431.508 3.398 1 0 IGAFRN COC(=O)c1ccc(NC2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)cc1 ZINC000027524820 563043181 /nfs/dbraw/zinc/04/31/81/563043181.db2.gz XITSFOBGSUWOPD-UHFFFAOYSA-N 0 0 437.500 3.097 1 0 IGAFRN CCOCC(=O)N[C@H]1CCc2cc(O)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000027646611 563045058 /nfs/dbraw/zinc/04/50/58/563045058.db2.gz HYWPXXBTQVOOKE-INIZCTEOSA-N 0 0 445.537 3.299 1 0 IGAFRN CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000027988068 563048855 /nfs/dbraw/zinc/04/88/55/563048855.db2.gz HCFNBXFYJLTRRQ-HXUWFJFHSA-N 0 0 438.524 3.277 1 0 IGAFRN C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000028108064 563050742 /nfs/dbraw/zinc/05/07/42/563050742.db2.gz IYDBQCZYZKQGCD-YWZLYKJASA-N 0 0 446.494 3.081 1 0 IGAFRN O=C(CNC(=O)C1CC1)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1 ZINC000028136245 563051568 /nfs/dbraw/zinc/05/15/68/563051568.db2.gz RFANGIITHQLCRJ-UHFFFAOYSA-N 0 0 445.504 3.154 1 0 IGAFRN CCCc1c(O)ccc2nc3c(c(CC)c21)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC ZINC000028520645 563055952 /nfs/dbraw/zinc/05/59/52/563055952.db2.gz QRGMAVVANWUQRU-VWLOTQADSA-N 0 0 434.492 3.300 1 0 IGAFRN COc1cc(CN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc(OC)c1OC ZINC000028639004 563059981 /nfs/dbraw/zinc/05/99/81/563059981.db2.gz HVDVSWXWSUTDGV-UHFFFAOYSA-N 0 0 441.509 3.290 1 0 IGAFRN O=C(NCc1ccc(F)cc1)c1nc([C@@H](c2ccccc2)N2CCCCC2)[nH]c(=O)c1O ZINC000028642857 563060590 /nfs/dbraw/zinc/06/05/90/563060590.db2.gz CQSSVTXTBYQQIA-HXUWFJFHSA-N 0 0 436.487 3.120 1 0 IGAFRN CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 ZINC000028655305 563061324 /nfs/dbraw/zinc/06/13/24/563061324.db2.gz NGGBGFKKADSXPM-UHFFFAOYSA-N 0 0 449.477 3.234 1 0 IGAFRN Cc1cc(CNC(=O)c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)on1 ZINC000028655391 563061341 /nfs/dbraw/zinc/06/13/41/563061341.db2.gz VMYJAWPLGJNODW-UHFFFAOYSA-N 0 0 427.892 3.404 1 0 IGAFRN CCCCNC(=O)C1(C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)CCC1 ZINC000028822910 563065803 /nfs/dbraw/zinc/06/58/03/563065803.db2.gz NUDLRTRFTPFSAY-JOCHJYFZSA-N 0 0 446.551 3.029 1 0 IGAFRN CCS(=O)(=O)n1c2ccc(C(=O)N3CCC(C)CC3)cc2c2c1CN(CC1CC1)C2 ZINC000028955374 563070195 /nfs/dbraw/zinc/07/01/95/563070195.db2.gz FXQWXZXBOMJWJV-UHFFFAOYSA-N 0 0 429.586 3.437 1 0 IGAFRN COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000028965786 563070960 /nfs/dbraw/zinc/07/09/60/563070960.db2.gz MLDXLYMFHZYGSI-MDZDMXLPSA-N 0 0 438.498 3.324 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cccc(F)c2F)O1 ZINC000028974500 563071293 /nfs/dbraw/zinc/07/12/93/563071293.db2.gz ZETKNYMMYZRTLX-JYCIKRDWSA-N 0 0 425.332 3.032 1 0 IGAFRN C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cscn4)c3)c21)C(N)=O ZINC000029041330 563072110 /nfs/dbraw/zinc/07/21/10/563072110.db2.gz RVVGPIUUCSXRDL-CYBMUJFWSA-N 0 0 445.508 3.481 1 0 IGAFRN CS(=O)(=O)c1ccc(-c2noc([C@H](CCO)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1 ZINC000029126620 563074720 /nfs/dbraw/zinc/07/47/20/563074720.db2.gz LXJJZJQWGZOQFP-PBHICJAKSA-N 0 0 443.928 3.384 1 0 IGAFRN Cc1cc(C)c2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@H](n3cnc4c3ncnc4N)O1)O2 ZINC000029336577 563078311 /nfs/dbraw/zinc/07/83/11/563078311.db2.gz HDMOUSCHVYQQLI-WEHUNZAWSA-N 0 0 429.373 3.213 1 0 IGAFRN CC[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC[NH2+]1 ZINC000032016745 563084004 /nfs/dbraw/zinc/08/40/04/563084004.db2.gz GKEQCPSVAHRKLP-ZDUSSCGKSA-N 0 0 431.414 3.294 1 0 IGAFRN COc1c(N2CC[C@@H](C[NH+](C)C)C2)c(F)cc2c(=O)c3c([O-])nsc3n(C3CC3)c21 ZINC000034946346 563088512 /nfs/dbraw/zinc/08/85/12/563088512.db2.gz FCEIZUFYTSCAFC-NSHDSACASA-N 0 0 432.521 3.187 1 0 IGAFRN COCCNC(=O)N1[C@@H]2CC[C@H]1CC(c1ccc(OC(F)(F)F)cc1)=C2C(=O)OC ZINC000036388484 563094870 /nfs/dbraw/zinc/09/48/70/563094870.db2.gz DPIXMZIFYIOTTL-XJKSGUPXSA-N 0 0 428.407 3.105 3 0 IGAFRN CN1CCN(C(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)c(Cl)c2)CC1=O ZINC000040411714 563101747 /nfs/dbraw/zinc/10/17/47/563101747.db2.gz MGPUWOBDBGFEMR-HHHXNRCGSA-N 0 0 425.337 3.215 1 0 IGAFRN O=C1C[C@@H](c2ccccc2C(F)(F)F)C(=O)N1CCN1CCN(c2ccccc2)CC1 ZINC000040424103 563102868 /nfs/dbraw/zinc/10/28/68/563102868.db2.gz RWKVCPAZCDQBDS-IBGZPJMESA-N 0 0 431.458 3.370 1 0 IGAFRN COc1cc(OC)nc(NC(=S)NC(=O)[C@@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859852 563107898 /nfs/dbraw/zinc/10/78/98/563107898.db2.gz PDZWMWIADVKZOV-QVJRQWPFSA-N 0 0 438.859 3.264 1 0 IGAFRN Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N1CCCC1 ZINC000040860943 563108016 /nfs/dbraw/zinc/10/80/16/563108016.db2.gz GTPNZNKIKMWUIS-UHFFFAOYSA-N 0 0 448.567 3.400 1 0 IGAFRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000040863660 563108565 /nfs/dbraw/zinc/10/85/65/563108565.db2.gz KFTJUHRBTZLHBL-LEWJYISDSA-N 0 0 430.504 3.497 1 0 IGAFRN COc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000040867290 563108965 /nfs/dbraw/zinc/10/89/65/563108965.db2.gz UAWJEFMZDJBWJG-UHFFFAOYSA-N 0 0 431.535 3.049 1 0 IGAFRN Nc1nc(Cc2ccc(O)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000040872849 563109109 /nfs/dbraw/zinc/10/91/09/563109109.db2.gz LFMMXCPHSGEZBE-UHFFFAOYSA-N 0 0 432.480 3.104 1 0 IGAFRN O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cc2ccccc2s1 ZINC000040896795 563110475 /nfs/dbraw/zinc/11/04/75/563110475.db2.gz WFSVIFFWDRTKKQ-UHFFFAOYSA-N 0 0 434.565 3.060 1 0 IGAFRN CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O ZINC000040937788 563113013 /nfs/dbraw/zinc/11/30/13/563113013.db2.gz GWPQJRDWVXCIBI-UHFFFAOYSA-N 0 0 448.527 3.102 1 0 IGAFRN CNc1nccc2c(O[C@@H](C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cccc21 ZINC000045255091 563127243 /nfs/dbraw/zinc/12/72/43/563127243.db2.gz BLPQMGAJZGMMOM-MSOLQXFVSA-N 0 0 432.524 3.417 1 0 IGAFRN COc1cccc([C@]2(O)c3ccccc3Oc3cc(C(=O)N4CCN(C)CC4)ccc32)c1 ZINC000045385889 563133833 /nfs/dbraw/zinc/13/38/33/563133833.db2.gz OMHRGBNLERTVTJ-SANMLTNESA-N 0 0 430.504 3.473 1 0 IGAFRN Cc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Br)c1ccccc1 ZINC000049049127 563136742 /nfs/dbraw/zinc/13/67/42/563136742.db2.gz XGKYLVUPANKYJX-PFONDFGASA-N 0 0 435.347 3.353 1 0 IGAFRN Cn1nccc1CNC(=O)c1ccc2c(c1)[nH]c(-c1cc(Cc3ccccc3)[nH]n1)c2CO ZINC000049808075 563140222 /nfs/dbraw/zinc/14/02/22/563140222.db2.gz HITNCCVTPYBLBH-UHFFFAOYSA-N 0 0 440.507 3.305 1 0 IGAFRN O=C(c1ccc(F)nc1)N1C(=O)CC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 ZINC000058468651 563143481 /nfs/dbraw/zinc/14/34/81/563143481.db2.gz NDHRVVQUROWSOW-INIZCTEOSA-N 0 0 446.446 3.111 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4c(ccc5ccccc54)O3)O2)c(=O)[nH]c1=O ZINC000058609011 563145820 /nfs/dbraw/zinc/14/58/20/563145820.db2.gz KGWFETRZCYQEIS-ICHRWLNQSA-N 0 0 442.364 3.186 1 0 IGAFRN CN(CCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000059050235 563146088 /nfs/dbraw/zinc/14/60/88/563146088.db2.gz LIIPJRGDIBVXJX-SFHVURJKSA-N 0 0 437.584 3.451 1 0 IGAFRN CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000059051410 563146154 /nfs/dbraw/zinc/14/61/54/563146154.db2.gz LYYAOAAEQUTERQ-SFHVURJKSA-N 0 0 425.573 3.308 1 0 IGAFRN CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccc3cccnc32)on1 ZINC000061895712 563147158 /nfs/dbraw/zinc/14/71/58/563147158.db2.gz NSMBPLIKLKBHKF-KRWDZBQOSA-N 0 0 428.514 3.279 3 0 IGAFRN COC(=O)[C@H](CC(C)C)N1Cc2cc(OC)cc(OC)c2-c2ccccc2S1(=O)=O ZINC000061944797 563151066 /nfs/dbraw/zinc/15/10/66/563151066.db2.gz FWSNTOTUZAVUBL-SFHVURJKSA-N 0 0 433.526 3.463 3 0 IGAFRN COc1cc(NC(=O)Cn2cnc3c2ncnc3OCc2ccccc2)cc(OC)c1OC ZINC000061947314 563151476 /nfs/dbraw/zinc/15/14/76/563151476.db2.gz VQCSMPHFRASXIR-UHFFFAOYSA-N 0 0 449.467 3.070 3 0 IGAFRN CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1c1cccc(OC)c1 ZINC000061958819 563151934 /nfs/dbraw/zinc/15/19/34/563151934.db2.gz JHFHVJSSDYTSMS-NRFANRHFSA-N 0 0 448.516 3.405 3 0 IGAFRN CCCN1[C@H](C)C(C(=O)OCC)=CN(Cc2ccc(Br)cc2)S1(=O)=O ZINC000061958959 563151986 /nfs/dbraw/zinc/15/19/86/563151986.db2.gz ZYGJJCRATLBPQQ-CYBMUJFWSA-N 0 0 431.352 3.057 3 0 IGAFRN C=CC(=O)N1CCC[C@H](Nc2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3nc[nH]c32)C1 ZINC000066099691 563158079 /nfs/dbraw/zinc/15/80/79/563158079.db2.gz OTPQDXLFXQGSHS-INIZCTEOSA-N 0 0 448.531 3.058 1 0 IGAFRN CC(C)(O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(-c2cc(-c3cn[nH]c3)ccc2[O-])nc2ccccc21 ZINC000066101855 563158407 /nfs/dbraw/zinc/15/84/07/563158407.db2.gz PFGYFVZBXUQRIS-UYAOXDASSA-N 0 0 430.512 3.163 1 0 IGAFRN COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(C)ccc2OCCF)CC1 ZINC000066124175 563159370 /nfs/dbraw/zinc/15/93/70/563159370.db2.gz FGFHFJJEESMBGK-AATRIKPKSA-N 0 0 441.547 3.460 1 0 IGAFRN CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)N(C)C)[C@@H](OC(=O)N(C)C)C(C)(C)O3 ZINC000066259059 563160415 /nfs/dbraw/zinc/16/04/15/563160415.db2.gz CFKLXINKLSWISX-RTBURBONSA-N 0 0 432.473 3.333 1 0 IGAFRN CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cc(C(F)(F)F)cnc2C1 ZINC000066260124 563160661 /nfs/dbraw/zinc/16/06/61/563160661.db2.gz FMDCETZXKXBSAU-UHFFFAOYSA-N 0 0 428.432 3.447 1 0 IGAFRN CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 ZINC000072122997 563163978 /nfs/dbraw/zinc/16/39/78/563163978.db2.gz FEOJWKNLVWAOGQ-UHFFFAOYSA-N 0 0 427.567 3.194 1 0 IGAFRN O=C(NC1CCC(O)CC1)N1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000072176089 563165622 /nfs/dbraw/zinc/16/56/22/563165622.db2.gz FARWCKHTSOBRLC-VSILJMIMSA-N 0 0 448.567 3.043 1 0 IGAFRN CC(C)S(=O)(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185110 563167947 /nfs/dbraw/zinc/16/79/47/563167947.db2.gz ZRYWVKVXIDTJOI-IBGZPJMESA-N 0 0 442.507 3.377 1 0 IGAFRN CCOC(=O)[C@@H]1CCCN(Cc2cn([C@@H]3CCCC[C@@H]3OC(=O)c3ccccc3)nn2)C1 ZINC000073199798 563170265 /nfs/dbraw/zinc/17/02/65/563170265.db2.gz XHWCBKCOVCEINV-FCEUIQTBSA-N 0 0 440.544 3.394 1 0 IGAFRN O=C(c1nc2ccccn2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073312536 563172341 /nfs/dbraw/zinc/17/23/41/563172341.db2.gz KHDIEEMYOOATFJ-UHFFFAOYSA-N 0 0 449.299 3.376 1 0 IGAFRN CCOC[C@H](C)O[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC ZINC000084687981 563175967 /nfs/dbraw/zinc/17/59/67/563175967.db2.gz JBRBGECQOJHACP-JNHXJRNOSA-N 0 0 436.508 3.321 1 0 IGAFRN COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccc(F)cc2)C1=O ZINC000084705486 563176849 /nfs/dbraw/zinc/17/68/49/563176849.db2.gz MJUYYCIBZXSMHD-FDFHNCONSA-N 0 0 444.503 3.049 1 0 IGAFRN COCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095570157 563184269 /nfs/dbraw/zinc/18/42/69/563184269.db2.gz DDKOWABNXFSWAT-IBGZPJMESA-N 0 0 447.576 3.090 3 0 IGAFRN Cc1cccc(Oc2cc(C[N@@H+]3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2C(=O)[O-])c1 ZINC000095579191 563186951 /nfs/dbraw/zinc/18/69/51/563186951.db2.gz DIHBKEBFLYESNZ-IBGZPJMESA-N 0 0 449.507 3.481 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCc2ccc(C)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593122 563190652 /nfs/dbraw/zinc/19/06/52/563190652.db2.gz RTVPASBYBBBJDN-UUOWRZLLSA-N 0 0 427.497 3.374 1 0 IGAFRN Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1[C@@H](CC1CC1)C(=O)Nc1nccs1 ZINC000095604387 563193704 /nfs/dbraw/zinc/19/37/04/563193704.db2.gz LANHGOMVJISQAO-KRWDZBQOSA-N 0 0 435.571 3.309 1 0 IGAFRN COc1cc(-c2nc3sc4c(c3c(=O)n2C(N)=S)CCCC4)cc(OC)c1OC ZINC000096928920 563198448 /nfs/dbraw/zinc/19/84/48/563198448.db2.gz UWTNVYHOUGLWFN-UHFFFAOYSA-N 0 0 431.539 3.121 1 0 IGAFRN O=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccccc3)nn2)cc1 ZINC000096933870 563199126 /nfs/dbraw/zinc/19/91/26/563199126.db2.gz SNNXFDZQWUQKPJ-UHFFFAOYSA-N 0 0 434.521 3.367 1 0 IGAFRN CC(=O)OC[C@@]12CCC[C@H]3[C@@]1(CO2)[C@H](OC(C)=O)C[C@@H](C)[C@]31C[C@@H](c2ccoc2)OC1=O ZINC000095910476 291352519 /nfs/dbraw/zinc/35/25/19/291352519.db2.gz USJOKJNZACCFKR-SMQHAVTGSA-N 0 0 446.496 3.344 1 0 biogenic,in-vitro IGAFRN COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 ZINC000014437780 291357364 /nfs/dbraw/zinc/35/73/64/291357364.db2.gz AIIBKXWZZGYRAR-CVEARBPZSA-N 0 0 430.453 3.024 1 0 biogenic,in-vitro IGAFRN COc1ccc(-c2oc3c(OC)c(OC)cc(OC(C)=O)c3c(=O)c2OC(C)=O)cc1 ZINC000014645230 291358153 /nfs/dbraw/zinc/35/81/53/291358153.db2.gz AMJOOTWKPBPRPW-UHFFFAOYSA-N 0 0 428.393 3.336 1 0 biogenic,in-vitro IGAFRN CCCCOc1cc(C(=O)NCCN2CCN(c3ccccn3)CC2)c2ccccc2n1 ZINC000029557603 132226008 /nfs/dbraw/zinc/22/60/08/132226008.db2.gz LHWRKIZSFRWICR-UHFFFAOYSA-N 0 0 433.556 3.361 1 0 IGAFRN COc1ccc(CN(Cc2cc3cccc(C)c3n3nnnc23)C(=O)N2CCOCC2)cc1 ZINC000012493080 524014892 /nfs/dbraw/zinc/01/48/92/524014892.db2.gz RMSMDFDESVEBNX-UHFFFAOYSA-N 0 0 446.511 3.049 3 0 IGAFRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccs1 ZINC000035904197 526693048 /nfs/dbraw/zinc/69/30/48/526693048.db2.gz AZVWOTWGCYDHKK-QXUMQBBKSA-N 0 0 440.908 3.449 1 0 IGAFRN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000020558114 527137406 /nfs/dbraw/zinc/13/74/06/527137406.db2.gz ZGLOWAKIKVYZHY-XLIONFOSSA-N 0 0 439.537 3.221 1 0 IGAFRN O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)N1CCOCC1 ZINC000000923512 562919607 /nfs/dbraw/zinc/91/96/07/562919607.db2.gz VEBRRQAJENMFAB-UHFFFAOYSA-N 0 0 441.532 3.029 3 0 IGAFRN COc1cc(OC)cc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1 ZINC000001332049 562921297 /nfs/dbraw/zinc/92/12/97/562921297.db2.gz DHNWRNCXWBONKY-UHFFFAOYSA-N 0 0 447.495 3.277 3 0 IGAFRN COc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2C(F)(F)F)ccc1=O ZINC000001485702 562922160 /nfs/dbraw/zinc/92/21/60/562922160.db2.gz KLUVCLVZGZNHBB-OAHLLOKOSA-N 0 0 436.386 3.203 1 0 IGAFRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000001619611 562923176 /nfs/dbraw/zinc/92/31/76/562923176.db2.gz VOAQZUPZPIBDPI-DLMXUGLJSA-N 0 0 448.478 3.493 1 0 IGAFRN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000002929225 562930705 /nfs/dbraw/zinc/93/07/05/562930705.db2.gz CEIJHYFEIASGMY-IBGZPJMESA-N 0 0 447.944 3.325 3 0 aggregator IGAFRN Cc1cc(I)c([O-])c(C(=O)Nc2ccc(C(N)=[NH2+])c(Cl)c2)c1 ZINC000003591047 562936610 /nfs/dbraw/zinc/93/66/10/562936610.db2.gz QKGFTDAISIBIBV-UHFFFAOYSA-N 0 0 429.645 3.495 1 0 in-vivo IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000003596708 562936781 /nfs/dbraw/zinc/93/67/81/562936781.db2.gz ZHKOLIRMRROCEX-YSZKKOMBSA-N 0 0 442.364 3.186 1 0 IGAFRN CN(C)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000003814686 562938545 /nfs/dbraw/zinc/93/85/45/562938545.db2.gz UGIVEWWIEYYZIE-UHFFFAOYSA-N 0 0 428.411 3.411 1 0 IGAFRN COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(OC)nc32)c1 ZINC000004239180 562942874 /nfs/dbraw/zinc/94/28/74/562942874.db2.gz XAPSNIAXMUMVLR-UHFFFAOYSA-N 0 0 427.464 3.411 1 0 IGAFRN Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1 ZINC000006577905 562947916 /nfs/dbraw/zinc/94/79/16/562947916.db2.gz GOOFWFQYEKETBM-UHFFFAOYSA-N 0 0 428.485 3.289 3 0 IGAFRN CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595627 562953552 /nfs/dbraw/zinc/95/35/52/562953552.db2.gz FEHNOQGGRCVAMG-HNNXBMFYSA-N 0 0 430.555 3.293 1 0 IGAFRN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccs4)n3)c2C)cc1OC ZINC000008603086 562955965 /nfs/dbraw/zinc/95/59/65/562955965.db2.gz CCPMNYVXQPISQB-UHFFFAOYSA-N 0 0 428.499 3.425 1 0 IGAFRN COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000008671082 562960783 /nfs/dbraw/zinc/96/07/83/562960783.db2.gz ZXINOTLEMHXDDI-HXUWFJFHSA-N 0 0 442.537 3.215 3 0 IGAFRN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000008752729 562963907 /nfs/dbraw/zinc/96/39/07/562963907.db2.gz FAZJCISVJRFNEM-ZHALLVOQSA-N 0 0 428.554 3.422 3 0 IGAFRN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000009961140 562977950 /nfs/dbraw/zinc/97/79/50/562977950.db2.gz AEJPLGZNAMGNAR-NYYWCZLTSA-N 0 0 436.386 3.081 3 0 IGAFRN COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2 ZINC000011974374 562979950 /nfs/dbraw/zinc/97/99/50/562979950.db2.gz QPASGHGWKRYROQ-NRFANRHFSA-N 0 0 426.488 3.388 1 0 IGAFRN COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@](C)=O ZINC000012479474 562982363 /nfs/dbraw/zinc/98/23/63/562982363.db2.gz DWSZRCSZGHPDFU-DINSCKPSSA-N 0 0 432.567 3.153 3 0 IGAFRN Cc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012836046 562983155 /nfs/dbraw/zinc/98/31/55/562983155.db2.gz UTOGLLIOCZBHPD-QFIPXVFZSA-N 0 0 434.584 3.300 3 0 IGAFRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150670 562985430 /nfs/dbraw/zinc/98/54/30/562985430.db2.gz GRIJHYHYGPHKFU-AUUYWEPGSA-N 0 0 429.517 3.489 3 0 IGAFRN COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1O ZINC000013462845 562987705 /nfs/dbraw/zinc/98/77/05/562987705.db2.gz VGMOUMWYTMZSAT-VHPWJVAPSA-N 0 0 432.469 3.376 1 0 IGAFRN COc1ccccc1N1CCN(CCCCNC(=O)c2coc3ccccc3c2=O)CC1 ZINC000013526210 562991678 /nfs/dbraw/zinc/99/16/78/562991678.db2.gz TZFCALVMYKNULT-UHFFFAOYSA-N 0 0 435.524 3.134 1 0 IGAFRN Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2O)n1 ZINC000013529930 562991941 /nfs/dbraw/zinc/99/19/41/562991941.db2.gz PFGIYBCUVNRZKQ-UHFFFAOYSA-N 0 0 448.504 3.453 1 0 IGAFRN CCCC[C@H](NC(=O)OCC1(CC)COC1)C(=O)C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000013583778 562994950 /nfs/dbraw/zinc/99/49/50/562994950.db2.gz FFMSYJSOUSGUGH-KRWDZBQOSA-N 0 0 442.516 3.296 1 0 IGAFRN Cc1cc(-c2n[nH]c3c2C(=O)c2c-3cccc2NC(=O)NN2CCN(C)CC2)c(C)s1 ZINC000013588758 562996084 /nfs/dbraw/zinc/99/60/84/562996084.db2.gz OVOCLWYGFNGBTQ-UHFFFAOYSA-N 0 0 436.541 3.250 1 0 IGAFRN COc1ccc(C(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1OC ZINC000013601610 562996836 /nfs/dbraw/zinc/99/68/36/562996836.db2.gz RVWRHQOISOPOAU-JOCHJYFZSA-N 0 0 433.439 3.389 1 0 IGAFRN COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCCC2 ZINC000013608899 562997584 /nfs/dbraw/zinc/99/75/84/562997584.db2.gz JQGNJUHTHIGZBR-UHFFFAOYSA-N 0 0 434.492 3.097 1 0 IGAFRN O=C1C[C@]2(C(=O)N1)c1cc(Cl)ccc1C(=O)N2Cc1ccc(Br)cc1F ZINC000013651389 562999147 /nfs/dbraw/zinc/99/91/47/562999147.db2.gz BVZOQHDKUIMGGL-GOSISDBHSA-N 0 0 437.652 3.139 1 0 IGAFRN CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013762096 563005353 /nfs/dbraw/zinc/00/53/53/563005353.db2.gz SXKLHMSNRLIXOV-UHFFFAOYSA-N 0 0 444.456 3.365 1 0 IGAFRN COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(C)cc3c2N(CC3)C1=O ZINC000013835632 563012173 /nfs/dbraw/zinc/01/21/73/563012173.db2.gz SJCAKQQKKYOKDO-DEOSSOPVSA-N 0 0 425.488 3.500 1 0 IGAFRN CCn1c2nc(NC3CCCCC3)n(Cc3ccc(O)c(F)c3)c2c(=O)n(CC)c1=O ZINC000013860289 563012502 /nfs/dbraw/zinc/01/25/02/563012502.db2.gz UIOJQKMNQRYQJJ-UHFFFAOYSA-N 0 0 429.496 3.037 1 0 IGAFRN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NCC2CC[NH2+]CC2)ccc2c1CCCC2 ZINC000014964525 563016302 /nfs/dbraw/zinc/01/63/02/563016302.db2.gz NRQKARIDTCOQQW-UHFFFAOYSA-N 0 0 443.569 3.476 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1)C(=O)OCc1ccccc1 ZINC000015953072 563020400 /nfs/dbraw/zinc/02/04/00/563020400.db2.gz FBBKSODBIBNBSX-FQEVSTJZSA-N 0 0 448.523 3.228 3 0 IGAFRN CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(C)CC3)c2c1 ZINC000022574302 563025753 /nfs/dbraw/zinc/02/57/53/563025753.db2.gz JEZWZIJVPGVNEP-UHFFFAOYSA-N 0 0 441.553 3.227 1 0 IGAFRN COc1cc2nc(N(C)CCCNC(=O)c3cc4ccccc4o3)nc(N)c2cc1OC ZINC000026503176 563032856 /nfs/dbraw/zinc/03/28/56/563032856.db2.gz AQCXPPPGZZIQNM-UHFFFAOYSA-N 0 0 435.484 3.232 1 0 IGAFRN CC(C)n1cnc2c1nc(N(CCO)CCO)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000026648943 563034604 /nfs/dbraw/zinc/03/46/04/563034604.db2.gz FHFHOGJPRNILRQ-UHFFFAOYSA-N 0 0 446.555 3.477 1 0 IGAFRN CN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1 ZINC000028361005 563053471 /nfs/dbraw/zinc/05/34/71/563053471.db2.gz MOENIAXTALBTAI-IBGZPJMESA-N 0 0 428.533 3.367 1 0 IGAFRN CCn1nnc(-c2ccc(OCC[C@@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)n1 ZINC000028474894 563055646 /nfs/dbraw/zinc/05/56/46/563055646.db2.gz QHRKYRPAFCRBPM-SFHVURJKSA-N 0 0 435.532 3.492 1 0 IGAFRN C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000028524525 563056426 /nfs/dbraw/zinc/05/64/26/563056426.db2.gz KSCGPLKTYDMRJM-SECBINFHSA-N 0 0 427.288 3.429 1 0 IGAFRN Nc1nc(-c2cccc(C(=O)NCCc3ccc(O)cc3)c2)cn2nc(-c3ccco3)nc12 ZINC000028524111 563056454 /nfs/dbraw/zinc/05/64/54/563056454.db2.gz HSIJAPBQLXLZLC-UHFFFAOYSA-N 0 0 440.463 3.312 1 0 IGAFRN COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H]([C@H](O)N1[C@H]2C)N3C ZINC000028641425 563060262 /nfs/dbraw/zinc/06/02/62/563060262.db2.gz UARLRORUZJETHY-DOUNTHOMSA-N 0 0 438.524 3.368 1 0 IGAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028707168 563062087 /nfs/dbraw/zinc/06/20/87/563062087.db2.gz OUXMSYHZKGJHMD-JOCHJYFZSA-N 0 0 444.535 3.313 1 0 IGAFRN CCN1C2=N[C@@H]3CCC[C@@H]3N2c2ncn(Cc3ccc(OC)c(Br)c3)c2C1=O ZINC000028756760 563063424 /nfs/dbraw/zinc/06/34/24/563063424.db2.gz MMINKQFBPBIOIP-CABCVRRESA-N 0 0 444.333 3.275 1 0 IGAFRN NC(=O)CCn1c2ccc(C(=O)NC3CCCCC3)cc2nc1NC(=O)c1ccsc1 ZINC000028822755 563065739 /nfs/dbraw/zinc/06/57/39/563065739.db2.gz WJFHDSLGZITKRZ-UHFFFAOYSA-N 0 0 439.541 3.288 1 0 IGAFRN C[C@@H](C(=O)NCCC(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000028824914 563066132 /nfs/dbraw/zinc/06/61/32/563066132.db2.gz RNMFABUEABNDQC-UGSOOPFHSA-N 0 0 433.430 3.192 1 0 IGAFRN Cc1cc(C)n(-c2cc(NC(=O)COc3nc(C)cc(C)n3)nc(-c3ccc(C)o3)n2)n1 ZINC000029041708 563072189 /nfs/dbraw/zinc/07/21/89/563072189.db2.gz VWYLETALEOIPPS-UHFFFAOYSA-N 0 0 433.472 3.272 1 0 IGAFRN CNC(=O)[C@@H](NC(=O)OC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 ZINC000029127862 563075012 /nfs/dbraw/zinc/07/50/12/563075012.db2.gz MPYSWQNVJQKEJI-IBGZPJMESA-N 0 0 438.509 3.393 1 0 IGAFRN OC[C@H]1CC=C[C@H]1n1cnc2c1ncnc2NCc1ccccc1I ZINC000029132062 563075771 /nfs/dbraw/zinc/07/57/71/563075771.db2.gz HNEJDCMBAFNXAC-UKRRQHHQSA-N 0 0 447.280 3.153 1 0 IGAFRN C=Cc1ccc(-c2ccc(OC[C@@H](CN3C(=O)N(C)C(C)(C)C3=O)N(O)C=O)cc2)cc1 ZINC000029332202 563078162 /nfs/dbraw/zinc/07/81/62/563078162.db2.gz XCGVYWMKRYFDJR-HXUWFJFHSA-N 0 0 437.496 3.264 1 0 IGAFRN Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@@H]1C=C[C@H](n3cnc4c3ncnc4N)O1)O2 ZINC000029336572 563078274 /nfs/dbraw/zinc/07/82/74/563078274.db2.gz HDMOUSCHVYQQLI-GPFSCIFPSA-N 0 0 429.373 3.213 1 0 IGAFRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000029332705 563078191 /nfs/dbraw/zinc/07/81/91/563078191.db2.gz OXCLENVMHHTHLI-OAQYLSRUSA-N 0 0 447.516 3.345 1 0 IGAFRN O=C1c2c(cccc2-c2ccccc2)S(=O)(=O)N1CSc1nnnn1-c1ccccc1 ZINC000029484088 563081242 /nfs/dbraw/zinc/08/12/42/563081242.db2.gz HKNMOISSFZNBRG-UHFFFAOYSA-N 0 0 449.517 3.224 1 0 IGAFRN CN1C(=N)N[C@](c2ccc(OC(F)(F)F)cc2)(c2ccc(F)c(-c3cncnc3)c2)C1=O ZINC000034631070 563086628 /nfs/dbraw/zinc/08/66/28/563086628.db2.gz RNJTYVPMRSKRKE-HXUWFJFHSA-N 0 0 445.376 3.421 1 0 in-vitro IGAFRN CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC ZINC000034875815 563088332 /nfs/dbraw/zinc/08/83/32/563088332.db2.gz YUHXPHNBJFUHSN-UHFFFAOYSA-N 0 0 425.489 3.137 1 0 in-vitro IGAFRN CC(C)n1cnc2c1nc(NCCO)nc2NCCCCCCNC(=O)OC(C)(C)C ZINC000035212807 563089588 /nfs/dbraw/zinc/08/95/88/563089588.db2.gz OXQIKGQQLYDQBM-UHFFFAOYSA-N 0 0 435.573 3.308 1 0 IGAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](c2ccc(F)cc2)N=C(c2cnccn2)N1 ZINC000035919917 563090331 /nfs/dbraw/zinc/09/03/31/563090331.db2.gz IWILYSVOZLQCHZ-OAQYLSRUSA-N 0 0 427.443 3.496 1 0 IGAFRN CC(C)Cn1c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2c(=O)n(CC(C)C)c1=O ZINC000036124075 563091107 /nfs/dbraw/zinc/09/11/07/563091107.db2.gz JFDKUGGNCNTTKG-UHFFFAOYSA-N 0 0 438.507 3.249 1 0 IGAFRN COc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)c(F)c1 ZINC000036126711 563091223 /nfs/dbraw/zinc/09/12/23/563091223.db2.gz RASPHJGGIPBIMT-UHFFFAOYSA-N 0 0 428.435 3.474 1 0 IGAFRN COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036384306 563094299 /nfs/dbraw/zinc/09/42/99/563094299.db2.gz NOYRLHLNQQJMFE-XHDPSFHLSA-N 0 0 432.826 3.224 3 0 IGAFRN CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000039107740 563098793 /nfs/dbraw/zinc/09/87/93/563098793.db2.gz LTQNKWCULFPBEF-LJQANCHMSA-N 0 0 435.889 3.162 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccc4ccccc4n3)C(=O)O2)cc1 ZINC000040401675 563100882 /nfs/dbraw/zinc/10/08/82/563100882.db2.gz QKLKBJXBLVSOJG-ALWYCYHKSA-N 0 0 432.476 3.219 1 0 IGAFRN Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H](C)O)CC4)cc3)n2)n1C(C)C ZINC000040408359 563101518 /nfs/dbraw/zinc/10/15/18/563101518.db2.gz WCWLSNGOKLMMBH-KRWDZBQOSA-N 0 0 449.559 3.002 1 0 IGAFRN COc1cc(C(=O)c2c(N)sc3c2CCN(C(=S)NC(C)C)C3)cc(OC)c1OC ZINC000040424930 563103045 /nfs/dbraw/zinc/10/30/45/563103045.db2.gz WKZOOMKQSLIEAM-UHFFFAOYSA-N 0 0 449.598 3.228 1 0 IGAFRN CNS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc32)cc1 ZINC000040847764 563107692 /nfs/dbraw/zinc/10/76/92/563107692.db2.gz ONTAAJMWGBTCAR-UHFFFAOYSA-N 0 0 433.493 3.047 1 0 IGAFRN OC[C@@H](O)CSc1nc(-c2ccnc(NC3CCOCC3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040861807 563108210 /nfs/dbraw/zinc/10/82/10/563108210.db2.gz HQVRTEVEFWPWCH-GOSISDBHSA-N 0 0 444.532 3.314 1 0 IGAFRN CCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21 ZINC000043017771 563116943 /nfs/dbraw/zinc/11/69/43/563116943.db2.gz LSGAVFJHQMPCRJ-UHFFFAOYSA-N 0 0 426.492 3.473 1 0 IGAFRN CNC(=O)c1cnc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc1Nc1cccc(OC(C)C)c1 ZINC000045195787 563124449 /nfs/dbraw/zinc/12/44/49/563124449.db2.gz VRKZINXBJGYEIA-UHFFFAOYSA-N 0 0 433.472 3.280 1 0 IGAFRN CC(=O)c1ccc(NC(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)cc1 ZINC000045291580 563128877 /nfs/dbraw/zinc/12/88/77/563128877.db2.gz DFDPXRBADZPGJO-UHFFFAOYSA-N 0 0 427.526 3.235 1 0 IGAFRN COc1c(-c2cc3n(c2)C[C@H](C)[NH2+][C@@H]3C)c(F)cc2c1N(C1CC1)C[C@H](C(=O)[O-])C2=O ZINC000045300966 563129221 /nfs/dbraw/zinc/12/92/21/563129221.db2.gz QVKCBGXEESWGAC-OZVIIMIRSA-N 0 0 427.476 3.221 1 0 IGAFRN CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(C(=O)C2CC2)CC1 ZINC000045357596 563132822 /nfs/dbraw/zinc/13/28/22/563132822.db2.gz CIMPXJQCDKNSDO-MRXNPFEDSA-N 0 0 442.535 3.106 1 0 IGAFRN CCCCCCNC(=O)[C@@H]1O[C@@H]2O[C@H]1C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 ZINC000045368525 563133210 /nfs/dbraw/zinc/13/32/10/563133210.db2.gz LFBKNVJTKAKCNI-NZCWTCFWSA-N 0 0 436.552 3.447 1 0 IGAFRN O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000045389886 563134002 /nfs/dbraw/zinc/13/40/02/563134002.db2.gz MIGGRYBADDWXIR-UHFFFAOYSA-N 0 0 442.337 3.203 1 0 IGAFRN CCCCNC(=O)CC[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)NCCCC ZINC000049050305 563136869 /nfs/dbraw/zinc/13/68/69/563136869.db2.gz UGXZNKTWFHKFEE-HXUWFJFHSA-N 0 0 447.601 3.100 1 0 IGAFRN Cn1c(=O)nc2n(CCC3CCCCC3)nc(-c3cccc(OC(F)(F)F)c3)nc-2c1=O ZINC000049113541 563138582 /nfs/dbraw/zinc/13/85/82/563138582.db2.gz ZXFZKIMZCQLPOW-UHFFFAOYSA-N 0 0 449.433 3.373 1 0 IGAFRN C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C)[NH2+]C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000049116064 563138742 /nfs/dbraw/zinc/13/87/42/563138742.db2.gz JZYDUWOBEJAQEF-CRWUZUPWSA-N 0 0 437.625 3.342 1 0 IGAFRN COc1ccc(-c2ccc3c(n2)nc(N2C[C@@H](C)O[C@@H](C)C2)nc3N2CCOCC2)cc1 ZINC000049785919 563139812 /nfs/dbraw/zinc/13/98/12/563139812.db2.gz GQIOMLPTHUBUKY-CALCHBBNSA-N 0 0 435.528 3.151 1 0 IGAFRN O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 ZINC000061929745 563150493 /nfs/dbraw/zinc/15/04/93/563150493.db2.gz QLFBGOSCCLDJJZ-QGZVFWFLSA-N 0 0 443.500 3.312 3 0 IGAFRN COc1ccc(CN(C)C(=O)Cn2cnc3c2ncnc3NCc2ccccc2)cc1OC ZINC000061945230 563151178 /nfs/dbraw/zinc/15/11/78/563151178.db2.gz RGWKNSBQGCCNMB-UHFFFAOYSA-N 0 0 446.511 3.114 3 0 IGAFRN CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958865 563151931 /nfs/dbraw/zinc/15/19/31/563151931.db2.gz BKTUEKAILNBVIQ-INIZCTEOSA-N 0 0 430.404 3.137 3 0 IGAFRN O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCOCC2)c1 ZINC000064559198 563156007 /nfs/dbraw/zinc/15/60/07/563156007.db2.gz HXYLVVVEGCWIII-UHFFFAOYSA-N 0 0 430.508 3.098 1 0 IGAFRN CCC(=O)c1c2c(nc3ccc(OC)cc31)-c1cc3c(c(=O)n1C2)COC(=O)C[C@]3(O)CC ZINC000071296123 563161718 /nfs/dbraw/zinc/16/17/18/563161718.db2.gz BDTZLYDFLJEZPI-RUZDIDTESA-N 0 0 448.475 3.071 1 0 IGAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1)NC(=O)c1ccc(F)c(F)c1 ZINC000072134849 563164057 /nfs/dbraw/zinc/16/40/57/563164057.db2.gz HPTPLUVUBNHEQY-ZDUSSCGKSA-N 0 0 432.446 3.202 1 0 IGAFRN CCOC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21 ZINC000072178471 563166299 /nfs/dbraw/zinc/16/62/99/563166299.db2.gz DEMKBTKLLMTAAU-SFHVURJKSA-N 0 0 429.498 3.051 1 0 IGAFRN O=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncco1 ZINC000072179292 563166467 /nfs/dbraw/zinc/16/64/67/563166467.db2.gz AEIKXFACENTHCD-UHFFFAOYSA-N 0 0 433.287 3.479 1 0 IGAFRN NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073163401 563169580 /nfs/dbraw/zinc/16/95/80/563169580.db2.gz VBMYTMZKJLTLPO-DZGCQCFKSA-N 0 0 442.887 3.096 1 0 IGAFRN COc1ccc(-n2nnnc2[C@@H](C2CC2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000073417850 563172847 /nfs/dbraw/zinc/17/28/47/563172847.db2.gz SULSWVACLAPEIX-JOCHJYFZSA-N 0 0 445.527 3.102 3 0 IGAFRN COc1cc2ccnc3c2c(c1OS(C)(=O)=O)-c1c(cc(OC)c(OC)c1OC)CC3 ZINC000084670541 563175261 /nfs/dbraw/zinc/17/52/61/563175261.db2.gz AQSJVWGPUVTCBM-UHFFFAOYSA-N 0 0 445.493 3.373 1 0 IGAFRN COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2cccc(F)c2)C1=O ZINC000084706661 563176922 /nfs/dbraw/zinc/17/69/22/563176922.db2.gz NDENWOHDAKQDOF-FDFHNCONSA-N 0 0 444.503 3.049 1 0 IGAFRN Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)no1 ZINC000095552870 563180885 /nfs/dbraw/zinc/18/08/85/563180885.db2.gz AUFMYEUEIABOLU-NRFANRHFSA-N 0 0 429.480 3.073 1 0 IGAFRN CN1C(=O)N(c2cc(C(F)(F)F)ncn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl ZINC000095553092 563181026 /nfs/dbraw/zinc/18/10/26/563181026.db2.gz SNZAQTTZNWBYGX-LBPRGKRZSA-N 0 0 448.232 3.359 1 0 IGAFRN COCC[C@@H](Oc1ncnc2c1cnn2-c1ccccc1C)C(=O)Nc1ccc(C)cn1 ZINC000095560253 563182110 /nfs/dbraw/zinc/18/21/10/563182110.db2.gz LYWQXVOFIHTNBN-LJQANCHMSA-N 0 0 432.484 3.250 1 0 IGAFRN O=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)cn2nc(C3CC3)nc12 ZINC000095577930 563186464 /nfs/dbraw/zinc/18/64/64/563186464.db2.gz XUXVLVPJLSBZEW-UHFFFAOYSA-N 0 0 425.290 3.218 1 0 IGAFRN O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCO[C@H](c4ccccc4)C3)nc2c1 ZINC000095580094 563187156 /nfs/dbraw/zinc/18/71/56/563187156.db2.gz PHIHUSKNIVVTLO-KRWDZBQOSA-N 0 0 425.432 3.477 1 0 IGAFRN O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nn1 ZINC000095595553 563191393 /nfs/dbraw/zinc/19/13/93/563191393.db2.gz UPRHRDVCISBLNY-UHFFFAOYSA-N 0 0 448.354 3.276 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCCc2cccc(F)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598292 563192073 /nfs/dbraw/zinc/19/20/73/563192073.db2.gz FGYGZZYLVLLNNY-UUOWRZLLSA-N 0 0 445.487 3.247 1 0 IGAFRN OCC1CCN(c2ncc(Cl)c(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1 ZINC000096168731 563195281 /nfs/dbraw/zinc/19/52/81/563195281.db2.gz ZHHBDFBGXZYKBQ-UHFFFAOYSA-N 0 0 425.920 3.155 1 0 IGAFRN CCOC(=O)[C@@H]1CS[C@@]2(N1)c1cc(C)ccc1N(C(=O)c1ccc(Cl)cc1)C2=O ZINC000096909002 563197671 /nfs/dbraw/zinc/19/76/71/563197671.db2.gz QQQBOEOLBNAYML-KKSFZXQISA-N 0 0 430.913 3.256 1 0 IGAFRN CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000096941795 563200390 /nfs/dbraw/zinc/20/03/90/563200390.db2.gz BIVOSBPCZHKRCZ-HXUWFJFHSA-N 0 0 440.540 3.210 1 0 IGAFRN COc1c(OC(C)=O)cc2oc(-c3ccc(OC(C)=O)cc3)cc(=O)c2c1OC(C)=O ZINC000033834040 291357357 /nfs/dbraw/zinc/35/73/57/291357357.db2.gz HIOZFEXHRPPNDN-UHFFFAOYSA-N 0 0 426.377 3.245 1 0 biogenic,in-vitro IGAFRN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC2CC2)cc1 ZINC000003670488 132267695 /nfs/dbraw/zinc/26/76/95/132267695.db2.gz QLSOTWXNDGHPEF-HXUWFJFHSA-N 0 0 446.301 3.324 1 0 IGAFRN NC(=O)c1ccc(NC(=O)COC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000012652099 527060785 /nfs/dbraw/zinc/06/07/85/527060785.db2.gz FRBIPRCSMRNDPZ-ZXPDZVFASA-N 0 0 449.345 3.391 1 0 IGAFRN [NH3+][C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1c1ccccc1 ZINC000000576421 562918116 /nfs/dbraw/zinc/91/81/16/562918116.db2.gz FJHKBXPXIQCCFE-MAUKXSAKSA-N 0 0 425.435 3.244 1 0 IGAFRN CC1(C)OC(=O)C(Oc2ccc(Br)cn2)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000000602325 562918710 /nfs/dbraw/zinc/91/87/10/562918710.db2.gz XCNHDBDVIVAJHX-UHFFFAOYSA-N 0 0 438.299 3.373 1 0 IGAFRN CCSc1[nH]c(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C(N)=O)c1C(N)=O ZINC000001638062 562923445 /nfs/dbraw/zinc/92/34/45/562923445.db2.gz RRGUACWYPKCYKA-UHFFFAOYSA-N 0 0 447.524 3.316 1 0 IGAFRN CCN(C(=O)CCS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000002940460 562930961 /nfs/dbraw/zinc/93/09/61/562930961.db2.gz PVTFPSAGYNQKKP-UHFFFAOYSA-N 0 0 440.315 3.395 3 0 IGAFRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NC[C@H]1CCCO1 ZINC000003332823 562934376 /nfs/dbraw/zinc/93/43/76/562934376.db2.gz ROGYOZLOXWUYPL-CQSZACIVSA-N 0 0 429.929 3.426 3 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4c(ccc5ccccc54)O3)O2)c(=O)[nH]c1=O ZINC000003596699 562936718 /nfs/dbraw/zinc/93/67/18/562936718.db2.gz KGWFETRZCYQEIS-TYBGOBEXSA-N 0 0 442.364 3.186 1 0 IGAFRN O=C([O-])[C@H](Cc1ccc(OCCC[NH+]2CCCC2)cc1)NC(=O)OCc1ccccc1 ZINC000003806342 562938288 /nfs/dbraw/zinc/93/82/88/562938288.db2.gz SLZPSLYPHRPPCC-QFIPXVFZSA-N 0 0 426.513 3.473 1 0 IGAFRN COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000004100355 562941787 /nfs/dbraw/zinc/94/17/87/562941787.db2.gz GCBKLSMBZRIUOE-UHFFFAOYSA-N 0 0 448.589 3.080 3 0 IGAFRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCCCC2)cc1 ZINC000004399806 562943218 /nfs/dbraw/zinc/94/32/18/562943218.db2.gz GGFPAXGRZMKOGH-HXUWFJFHSA-N 0 0 429.521 3.127 3 0 IGAFRN COc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000004437765 562943388 /nfs/dbraw/zinc/94/33/88/562943388.db2.gz RUUPOOPTFUZBQW-UHFFFAOYSA-N 0 0 442.541 3.486 3 0 IGAFRN CC(C)OP(=O)(OC(C)C)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000005732873 562944572 /nfs/dbraw/zinc/94/45/72/562944572.db2.gz PZFSIKBYDICVDN-UHFFFAOYSA-N 0 0 432.450 3.176 1 0 IGAFRN NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cccc(C(=O)[O-])c3)cc3c2cccc3O)c1 ZINC000008552715 562949596 /nfs/dbraw/zinc/94/95/96/562949596.db2.gz OKLNPTWIQIJRDB-UHFFFAOYSA-N 0 0 442.475 3.307 1 0 IGAFRN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000008598260 562954259 /nfs/dbraw/zinc/95/42/59/562954259.db2.gz QNUDZUQLFKRRLI-HNNXBMFYSA-N 0 0 436.946 3.445 1 0 IGAFRN Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3ccc(Cl)cc3)CC2)cc1 ZINC000008680232 562961513 /nfs/dbraw/zinc/96/15/13/562961513.db2.gz ZKRLOXRCHXRQOO-UHFFFAOYSA-N 0 0 436.961 3.088 3 0 IGAFRN Cc1sc2nc(COC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C ZINC000008694129 562963706 /nfs/dbraw/zinc/96/37/06/562963706.db2.gz PNWDETPMZYMZMI-UHFFFAOYSA-N 0 0 427.526 3.372 3 0 IGAFRN CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000011996549 562980279 /nfs/dbraw/zinc/98/02/79/562980279.db2.gz KFFKNWAROOIVLS-OAQYLSRUSA-N 0 0 447.495 3.077 1 0 IGAFRN O=C(c1ccc(Cn2cnnn2)cc1)N1CCOc2ccc([C@@H](O)C3CCCCC3)cc2C1 ZINC000012077975 562980699 /nfs/dbraw/zinc/98/06/99/562980699.db2.gz USVKWMDHGUBCIC-DEOSSOPVSA-N 0 0 447.539 3.370 1 0 IGAFRN COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000012479502 562982439 /nfs/dbraw/zinc/98/24/39/562982439.db2.gz IYMTUZCFLGYAPD-QFBILLFUSA-N 0 0 446.544 3.392 3 0 IGAFRN COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 ZINC000013445391 562986955 /nfs/dbraw/zinc/98/69/55/562986955.db2.gz WSVLBNNZDIDXTO-NRFANRHFSA-N 0 0 429.586 3.216 1 0 IGAFRN Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(O)c2)n1 ZINC000013529932 562991956 /nfs/dbraw/zinc/99/19/56/562991956.db2.gz GDVVTVMDKSDQLG-UHFFFAOYSA-N 0 0 448.504 3.453 1 0 IGAFRN CCNC(=O)C[C@H]1c2ccccc2C(=O)N(Cc2ccc(Br)cc2F)C1=O ZINC000013601421 562996805 /nfs/dbraw/zinc/99/68/05/562996805.db2.gz AZOZPLOXIUSJFU-INIZCTEOSA-N 0 0 433.277 3.381 1 0 IGAFRN CN1[C@H]2c3nc4ccccc4n3C[C@H]2C[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000013660583 562999550 /nfs/dbraw/zinc/99/95/50/562999550.db2.gz UMLIEVFDAPIGBA-MDASCCDHSA-N 0 0 425.330 3.490 3 0 IGAFRN CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2OC[C@@H](O)[C@H]2O)cc1 ZINC000013674241 563000294 /nfs/dbraw/zinc/00/02/94/563000294.db2.gz HHOVCENZVRLWJA-ZILOHOTNSA-N 0 0 432.480 3.491 1 0 IGAFRN C[NH2+]Cc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832279 563011276 /nfs/dbraw/zinc/01/12/76/563011276.db2.gz RYEXOLQLPFUDTC-UHFFFAOYSA-N 0 0 439.479 3.349 1 0 IGAFRN Cc1c(OCCN2CCN(c3ccccc3)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 ZINC000013832084 563011294 /nfs/dbraw/zinc/01/12/94/563011294.db2.gz LUGBXOCTURNZFQ-UHFFFAOYSA-N 0 0 449.551 3.139 1 0 IGAFRN O=CNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 ZINC000013832057 563011329 /nfs/dbraw/zinc/01/13/29/563011329.db2.gz HQWXWRKHMDXFBT-UHFFFAOYSA-N 0 0 449.551 3.176 1 0 IGAFRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1 ZINC000015953058 563020396 /nfs/dbraw/zinc/02/03/96/563020396.db2.gz MGNYKGQOHCNHDT-IBGZPJMESA-N 0 0 448.523 3.023 3 0 IGAFRN Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000020109266 563023684 /nfs/dbraw/zinc/02/36/84/563023684.db2.gz UHBVVPKLUDUOEC-UHFFFAOYSA-N 0 0 438.503 3.342 3 0 IGAFRN O=C(CN1CCOCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026673202 563035400 /nfs/dbraw/zinc/03/54/00/563035400.db2.gz PMWUEGZPVPYQOP-UHFFFAOYSA-N 0 0 426.904 3.395 1 0 IGAFRN [NH3+][C@@]12C=CC=C[C@@H]1CN(c1c(F)cc3c(=O)c(C(=O)[O-])cn([C@@H]4C[C@@H]4F)c3c1Cl)C2 ZINC000026936080 563037877 /nfs/dbraw/zinc/03/78/77/563037877.db2.gz VDHHYDXQKQWYMJ-FLBYAOOYSA-N 0 0 433.842 3.035 1 0 IGAFRN CCCCOC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000027095993 563039410 /nfs/dbraw/zinc/03/94/10/563039410.db2.gz YBCYKWLFCIPEMH-RBUKOAKNSA-N 0 0 434.533 3.135 1 0 IGAFRN NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCc2cccnc2)CC2CC2)c1 ZINC000027205505 563040810 /nfs/dbraw/zinc/04/08/10/563040810.db2.gz GTTFLAYZZSTXGU-UHFFFAOYSA-N 0 0 445.951 3.013 1 0 IGAFRN CC(C)C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000027519007 563042595 /nfs/dbraw/zinc/04/25/95/563042595.db2.gz ZJIYBGKZXVSZLP-PETAXGBASA-N 0 0 430.541 3.197 1 0 IGAFRN [NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2Cl)C1 ZINC000027525643 563043305 /nfs/dbraw/zinc/04/33/05/563043305.db2.gz XUZWZSQEKYMOJR-JTQLQIEISA-N 0 0 437.805 3.297 1 0 IGAFRN CC(=O)N1CCC2(CC1)NCc1cc(C(C)(C)C)cc(I)c1O2 ZINC000027653418 563045231 /nfs/dbraw/zinc/04/52/31/563045231.db2.gz JAHIWFCKUQDYKW-UHFFFAOYSA-N 0 0 428.314 3.409 1 0 IGAFRN O=c1c2c3n(c(=S)n1-c1ccc(F)cc1)CCn3c(=S)n(-c1ccc(F)cc1)c2=O ZINC000027725160 563046029 /nfs/dbraw/zinc/04/60/29/563046029.db2.gz ZWQYAUPRNNBTHC-UHFFFAOYSA-N 0 0 442.472 3.495 1 0 IGAFRN CC(C)(C)OC(=O)N[C@H](CCC[NH3+])C(=O)Nc1ccc(C(=O)[O-])c(-c2ccc(O)cc2)c1 ZINC000028097892 563050497 /nfs/dbraw/zinc/05/04/97/563050497.db2.gz ZMCSZVMDZYHBAG-LJQANCHMSA-N 0 0 443.500 3.328 1 0 IGAFRN CC(=O)Nc1ccc(Oc2ccc(N3C[C@H](CNC(=S)N(C)C)OC3=O)cc2F)cc1 ZINC000028370573 563053747 /nfs/dbraw/zinc/05/37/47/563053747.db2.gz MAJFYWIYTIKRAZ-KRWDZBQOSA-N 0 0 446.504 3.338 1 0 IGAFRN [NH3+][C@@H]1CCC[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4-c3ccc(O)cc3)C[C@@H]21 ZINC000028457244 563054823 /nfs/dbraw/zinc/05/48/23/563054823.db2.gz HIDVXZWBFQSVTE-ASUYLVSUSA-N 0 0 437.471 3.097 1 0 IGAFRN C[N@@H+]1CCC[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4-c3ccc(O)cc3)C[C@@H]21 ZINC000028457710 563054828 /nfs/dbraw/zinc/05/48/28/563054828.db2.gz JBUVEDXBSJTVCV-PEBXRYMYSA-N 0 0 437.471 3.064 1 0 IGAFRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1C(=O)C[C@H]1C(=O)OCc1ccccc1 ZINC000028522149 563056003 /nfs/dbraw/zinc/05/60/03/563056003.db2.gz HVVIMLFNXVLHDO-LADGPHEKSA-N 0 0 428.488 3.388 1 0 IGAFRN COc1cc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)nc3)s2)cc(OC)c1OC ZINC000028648967 563061051 /nfs/dbraw/zinc/06/10/51/563061051.db2.gz FBVSWEJOHUBGAW-UHFFFAOYSA-N 0 0 441.918 3.253 1 0 IGAFRN Nn1c(SCC(=O)c2cc3ccccc3oc2=O)nc2sc3c(c2c1=O)CCCC3 ZINC000028814871 563064544 /nfs/dbraw/zinc/06/45/44/563064544.db2.gz VPIXOFWBCTWPNP-UHFFFAOYSA-N 0 0 439.518 3.132 1 0 IGAFRN Cc1c(CN2CCOCC2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822538 563065641 /nfs/dbraw/zinc/06/56/41/563065641.db2.gz WKWVUXVUFMTTMJ-UHFFFAOYSA-N 0 0 445.972 3.324 1 0 IGAFRN COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC(=O)c1ccncc1)COC2=O ZINC000028824030 563065967 /nfs/dbraw/zinc/06/59/67/563065967.db2.gz PZFGCEGOWFFDRK-YIXHJXPBSA-N 0 0 425.437 3.427 1 0 IGAFRN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000028824297 563066060 /nfs/dbraw/zinc/06/60/60/563066060.db2.gz RFPJQFWNKFLJIF-JOCHJYFZSA-N 0 0 447.539 3.009 1 0 IGAFRN O=c1nc2oc(-c3ccc(OCCCCCCF)cc3)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000028865026 563067171 /nfs/dbraw/zinc/06/71/71/563067171.db2.gz HFNJSWJKLGLHEE-CEWLAPEOSA-N 0 0 446.475 3.206 1 0 IGAFRN CN1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000028952624 563069828 /nfs/dbraw/zinc/06/98/28/563069828.db2.gz QQZVXBNEPMPDFW-WOJBJXKFSA-N 0 0 437.540 3.216 1 0 IGAFRN Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000029038113 563071690 /nfs/dbraw/zinc/07/16/90/563071690.db2.gz JJZMAUGBAQWGNV-IRLDBZIGSA-N 0 0 447.645 3.362 1 0 IGAFRN C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c21)C(N)=O ZINC000029041305 563072095 /nfs/dbraw/zinc/07/20/95/563072095.db2.gz RGTLKPMCFJUHDZ-OAHLLOKOSA-N 0 0 439.479 3.419 1 0 IGAFRN CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCCCCCCO)nn1 ZINC000029044343 563072440 /nfs/dbraw/zinc/07/24/40/563072440.db2.gz XXGIJNUEEZIWNY-PZJWPPBQSA-N 0 0 446.573 3.040 1 0 IGAFRN OC[C@@H]1O[C@@H](n2c3cc(Cl)c(Cl)cc3nc2SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000032022811 563084010 /nfs/dbraw/zinc/08/40/10/563084010.db2.gz ISLZSOMAOHBIRJ-BSDSXHPESA-N 0 0 441.336 3.247 1 0 IGAFRN CC[C@H](C)Sc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386549 563094544 /nfs/dbraw/zinc/09/45/44/563094544.db2.gz XMVTWGBJLNVVPK-FIQIXKBOSA-N 0 0 432.586 3.410 3 0 IGAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2N(CCO)C1=O)OCc1ccccc1 ZINC000038731788 563098158 /nfs/dbraw/zinc/09/81/58/563098158.db2.gz ZLTJPOXBSZYJED-HSZRJFAPSA-N 0 0 429.476 3.115 1 0 IGAFRN COc1cc(Nc2nc(NCc3ccccc3OC)n3ccnc3c2C(N)=O)cc(OC)c1 ZINC000040393199 563100114 /nfs/dbraw/zinc/10/01/14/563100114.db2.gz RVTKCTMCIAQSNQ-UHFFFAOYSA-N 0 0 448.483 3.210 1 0 IGAFRN CC(=O)Nc1ccc(Oc2cccc(CC[NH2+]C[C@H](O)c3cccnc3)c2)cc1C(=O)[O-] ZINC000040422394 563102424 /nfs/dbraw/zinc/10/24/24/563102424.db2.gz CFZYEDWPJIKRMN-QHCPKHFHSA-N 0 0 435.480 3.396 1 0 IGAFRN COc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000040429332 563103203 /nfs/dbraw/zinc/10/32/03/563103203.db2.gz XRIMEJDISIBNJT-UHFFFAOYSA-N 0 0 439.581 3.339 1 0 IGAFRN COC(=O)CC[C@H](Sc1ccc(Cl)cc1)N1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O ZINC000040877880 563109549 /nfs/dbraw/zinc/10/95/49/563109549.db2.gz HKGFXXLINRYCML-HOTGVXAUSA-N 0 0 448.994 3.145 1 0 IGAFRN O=C1OC=C2Nc3cc4c(cc3[C@@H](c3cc5c(c(Br)c3)OCO5)C12)OCO4 ZINC000040914553 563111201 /nfs/dbraw/zinc/11/12/01/563111201.db2.gz UPOXERRCRSYHGT-MRXNPFEDSA-N 0 0 430.210 3.275 1 0 IGAFRN Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2F)on1 ZINC000043060501 563117673 /nfs/dbraw/zinc/11/76/73/563117673.db2.gz YMEXVHSLOFTLGR-MRXNPFEDSA-N 0 0 435.455 3.345 1 0 IGAFRN COC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043077013 563118411 /nfs/dbraw/zinc/11/84/11/563118411.db2.gz HIGXFHCHNOSNNO-KOQPJMIYSA-N 0 0 449.551 3.240 1 0 IGAFRN COc1cccc(CNC(=O)c2cnc(N3CCN(c4cc[nH+]cc4)CC3)c(Cl)c2)c1 ZINC000045193554 563124073 /nfs/dbraw/zinc/12/40/73/563124073.db2.gz DTWVWXFNVPDATP-UHFFFAOYSA-N 0 0 437.931 3.395 1 0 IGAFRN O=C1N[C@H](c2ccccc2)C2(CC[NH+](C[C@H](O)COc3cccc4ncccc43)CC2)O1 ZINC000045193723 563124078 /nfs/dbraw/zinc/12/40/78/563124078.db2.gz LHRKAYAQNMWYGP-WMZHIEFXSA-N 0 0 433.508 3.290 1 0 IGAFRN COc1ccc(Nc2nccc(N3CC[C@@H](NC(=O)c4cccc(NC(C)=O)c4)C3)n2)cc1 ZINC000045230127 563126076 /nfs/dbraw/zinc/12/60/76/563126076.db2.gz QRDNFVZGPFEZCY-HXUWFJFHSA-N 0 0 446.511 3.196 1 0 IGAFRN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(Cl)cccc3Cl)cc2N)cc1 ZINC000045319838 563130132 /nfs/dbraw/zinc/13/01/32/563130132.db2.gz IHTLEMWKWORABB-UHFFFAOYSA-N 0 0 442.280 3.237 1 0 IGAFRN CNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1cccc(OC)c1 ZINC000045320587 563130193 /nfs/dbraw/zinc/13/01/93/563130193.db2.gz UNHPZHNMDBNYAY-UHFFFAOYSA-N 0 0 434.500 3.169 1 0 IGAFRN OC[C@H]1O[C@H](n2c3cc(Cl)cc(Cl)c3nc2SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000049017508 563135418 /nfs/dbraw/zinc/13/54/18/563135418.db2.gz DETKQVQLXZQZRN-DDBAPUKQSA-N 0 0 441.336 3.247 1 0 IGAFRN CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)c1ccccc1)C(=O)N(C)c1cccc(C(=O)[O-])c1 ZINC000049037390 563136521 /nfs/dbraw/zinc/13/65/21/563136521.db2.gz QXCWXCUYCDTBBS-UWJYYQICSA-N 0 0 439.556 3.402 1 0 IGAFRN COc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 ZINC000049112169 563138292 /nfs/dbraw/zinc/13/82/92/563138292.db2.gz FYNJLBSSIPLISK-UHFFFAOYSA-N 0 0 448.483 3.030 1 0 in-vitro IGAFRN O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccccc2Oc2ccccc2)N1 ZINC000058582698 563145161 /nfs/dbraw/zinc/14/51/61/563145161.db2.gz BZUYBPJHIORQOF-DEOSSOPVSA-N 0 0 431.423 3.309 1 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061923446 563149576 /nfs/dbraw/zinc/14/95/76/563149576.db2.gz DPPLRAYRWSWVAU-OAQYLSRUSA-N 0 0 425.573 3.484 3 0 IGAFRN C[C@H](OC(=O)c1nc[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000061958680 563151837 /nfs/dbraw/zinc/15/18/37/563151837.db2.gz JOLKYCVJYRIEKT-HNNXBMFYSA-N 0 0 428.489 3.021 3 0 IGAFRN COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(C)ccc4nc3OC)CC2)c1 ZINC000064453435 563153500 /nfs/dbraw/zinc/15/35/00/563153500.db2.gz ARKQKFHBWGVDQL-UHFFFAOYSA-N 0 0 437.500 3.318 1 0 IGAFRN CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4cccs4)cn3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064541167 563155443 /nfs/dbraw/zinc/15/54/43/563155443.db2.gz QEZNJYBEBGCNCB-OSKXVONFSA-N 0 0 446.956 3.382 1 0 IGAFRN CCCCCCNC(=O)c1cn2c3c(cc(F)c(N4CCN(C)CC4)c3OC[C@@H]2C)c1=O ZINC000064560106 563156233 /nfs/dbraw/zinc/15/62/33/563156233.db2.gz ADXAZLWYWVNMDQ-INIZCTEOSA-N 0 0 444.551 3.156 1 0 IGAFRN COc1cccc(N2C(=O)C(Cl)=C(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)c1 ZINC000064622528 563156568 /nfs/dbraw/zinc/15/65/68/563156568.db2.gz KLLVTCXULNRXLP-RMKNXTFCSA-N 0 0 437.927 3.350 1 0 IGAFRN O=S(=O)(N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1)C(F)(F)F ZINC000064721569 563156677 /nfs/dbraw/zinc/15/66/77/563156677.db2.gz PLDFCTOATCNDSV-UHFFFAOYSA-N 0 0 428.461 3.330 1 0 IGAFRN CN1CCc2nc(C(=O)Nc3ccncc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000066066084 563157006 /nfs/dbraw/zinc/15/70/06/563157006.db2.gz JJOVWNNPDXUVMZ-UHFFFAOYSA-N 0 0 447.973 3.423 1 0 IGAFRN COCC[C@H](Oc1ncnc2c1cnn2-c1ccccc1C)C(=O)Nc1ccc(C)cn1 ZINC000068198681 563161105 /nfs/dbraw/zinc/16/11/05/563161105.db2.gz LYWQXVOFIHTNBN-IBGZPJMESA-N 0 0 432.484 3.250 1 0 IGAFRN O=S(=O)(Cc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103728 563162908 /nfs/dbraw/zinc/16/29/08/563162908.db2.gz ZUUCPPXJVOSKOT-JOCHJYFZSA-N 0 0 442.972 3.367 1 0 IGAFRN O=C1c2cc3c(cc2O[C@H]2CCCN12)C(=O)N(CCc1cccc(Br)c1)CO3 ZINC000072171753 563164940 /nfs/dbraw/zinc/16/49/40/563164940.db2.gz OYRWNJIYINZXDD-IBGZPJMESA-N 0 0 443.297 3.438 1 0 IGAFRN COc1ccc(Nc2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c(OC)c1 ZINC000073222921 563170808 /nfs/dbraw/zinc/17/08/08/563170808.db2.gz OENSIIUASYHRLF-UHFFFAOYSA-N 0 0 436.472 3.240 1 0 IGAFRN COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cccc(C)c4nc3OC)CC2)c1 ZINC000073224731 563171080 /nfs/dbraw/zinc/17/10/80/563171080.db2.gz SYUIEMKDUDIRRO-UHFFFAOYSA-N 0 0 437.500 3.318 1 0 IGAFRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073297371 563172144 /nfs/dbraw/zinc/17/21/44/563172144.db2.gz PKHMXEAHOIRBKO-RPBOFIJWSA-N 0 0 444.531 3.318 1 0 IGAFRN C[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000073298146 563172204 /nfs/dbraw/zinc/17/22/04/563172204.db2.gz OLPSTWWOAPXNKC-AUSIDOKSSA-N 0 0 430.504 3.389 1 0 IGAFRN COc1cc([C@H]2SCC(=O)N2NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O ZINC000084689444 563176081 /nfs/dbraw/zinc/17/60/81/563176081.db2.gz NQBGMMCRYLLKKS-HXUWFJFHSA-N 0 0 444.900 3.363 1 0 IGAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)cn2)CC1 ZINC000084690616 563176440 /nfs/dbraw/zinc/17/64/40/563176440.db2.gz WZPXJWLXZKHFQW-UHFFFAOYSA-N 0 0 447.557 3.121 1 0 IGAFRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)c2ccccc2CO)cc1 ZINC000084690988 563176498 /nfs/dbraw/zinc/17/64/98/563176498.db2.gz WDHBKNMEMSBFJZ-UHFFFAOYSA-N 0 0 439.415 3.016 1 0 IGAFRN COC(=O)c1ncn(C/C=C2/OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 ZINC000084728850 563178331 /nfs/dbraw/zinc/17/83/31/563178331.db2.gz PLWWAHUDUYWZIE-XDHOZWIPSA-N 0 0 447.447 3.151 1 0 IGAFRN CC(C)n1cnc2c1nc(NCC[C@H](O)CO)nc2NCc1ccc(-c2ccccn2)cc1 ZINC000084742537 563179294 /nfs/dbraw/zinc/17/92/94/563179294.db2.gz RURHVWQWTJYUPS-IBGZPJMESA-N 0 0 447.543 3.237 1 0 IGAFRN CCC[C@H](C(N)=O)N(Cc1ccc(OC)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095555795 563181454 /nfs/dbraw/zinc/18/14/54/563181454.db2.gz RYAALUJBVQQMEK-QGZVFWFLSA-N 0 0 428.913 3.333 1 0 IGAFRN COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc21 ZINC000095575758 563185818 /nfs/dbraw/zinc/18/58/18/563185818.db2.gz FISFTEPLQAUIFI-UHFFFAOYSA-N 0 0 447.264 3.046 1 0 IGAFRN COc1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)c3ccc(C)cc3C)CC1)OCO2 ZINC000095596643 563191598 /nfs/dbraw/zinc/19/15/98/563191598.db2.gz FEYXMKVWSPEXEN-UHFFFAOYSA-N 0 0 446.525 3.080 1 0 IGAFRN NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1 ZINC000096928842 563198440 /nfs/dbraw/zinc/19/84/40/563198440.db2.gz IMNAZTLPVPEWJW-UHFFFAOYSA-N 0 0 448.136 3.040 1 0 IGAFRN O=C(NCc1ccccc1)c1cc2c(n(CCCN3CCOCC3)c1=O)CCCCCC2 ZINC000096929213 563198493 /nfs/dbraw/zinc/19/84/93/563198493.db2.gz KINYMFFVXLNZAQ-UHFFFAOYSA-N 0 0 437.584 3.160 1 0 IGAFRN CC[C@@H](CO)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1 ZINC000071788638 252327725 /nfs/dbraw/zinc/32/77/25/252327725.db2.gz GFHDSVUCETUKHU-PKOBYXMFSA-N 0 0 443.935 3.080 1 0 in-vitro IGAFRN CCO[C@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@H]21)OCO3 ZINC000085531545 291355656 /nfs/dbraw/zinc/35/56/56/291355656.db2.gz STGBBEULPHACPI-JAPHVTHTSA-N 0 0 442.464 3.453 1 0 biogenic,in-vitro IGAFRN CNC(=[NH2+])N1C=CC[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC4CCCC4)C[C@]32[C@H](C)CC1 ZINC000103524811 291356139 /nfs/dbraw/zinc/35/61/39/291356139.db2.gz LSNZCSNGWVEELB-JOLCWTIHSA-N 0 0 443.588 3.258 1 0 biogenic,in-vitro IGAFRN Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c3nnnn3c12 ZINC000001376783 562921516 /nfs/dbraw/zinc/92/15/16/562921516.db2.gz JMTNEKOUVZBVMY-UHFFFAOYSA-N 0 0 434.475 3.179 3 0 IGAFRN Cc1c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc2oc1C(=O)NCc1cccnc1 ZINC000002459686 562928016 /nfs/dbraw/zinc/92/80/16/562928016.db2.gz MQCPVKMVVLSFJW-OAHLLOKOSA-N 0 0 427.526 3.487 3 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4cc5ccccc5cc4O3)O2)c(=O)[nH]c1=O ZINC000003596703 562936665 /nfs/dbraw/zinc/93/66/65/562936665.db2.gz QSRSOGPDZUJZCE-RLTDBJFPSA-N 0 0 442.364 3.186 1 0 IGAFRN NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cc(F)cc(F)c1 ZINC000003937788 562939528 /nfs/dbraw/zinc/93/95/28/562939528.db2.gz DFVFNTKDLMDYTJ-UHFFFAOYSA-N 0 0 440.454 3.046 1 0 IGAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000004035782 562941240 /nfs/dbraw/zinc/94/12/40/562941240.db2.gz ADPQQRFXDLYAFI-CYBMUJFWSA-N 0 0 429.420 3.020 3 0 IGAFRN COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNC(=O)/C(C)=C/c2ccccc2)cc1 ZINC000006003633 562945658 /nfs/dbraw/zinc/94/56/58/562945658.db2.gz VBJQKYLPTIHXAE-QGUORLBXSA-N 0 0 440.565 3.431 1 0 IGAFRN CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)c1 ZINC000006530545 562947121 /nfs/dbraw/zinc/94/71/21/562947121.db2.gz FPBDXXQILJRRFU-UHFFFAOYSA-N 0 0 434.496 3.017 3 0 IGAFRN O=C(C1CCC(CNc2c(=O)c(=O)c2N2CCCCC2)CC1)N1CCc2ccccc2C1 ZINC000006577014 562947398 /nfs/dbraw/zinc/94/73/98/562947398.db2.gz KWTPGCSHKDEJDY-UHFFFAOYSA-N 0 0 435.568 3.076 3 0 IGAFRN COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000006577197 562947460 /nfs/dbraw/zinc/94/74/60/562947460.db2.gz UXJNPVYBKWNCQD-UHFFFAOYSA-N 0 0 442.541 3.486 3 0 IGAFRN Cn1c(C(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc2sccc21 ZINC000006577148 562947467 /nfs/dbraw/zinc/94/74/67/562947467.db2.gz JAOFEKZQJPHLNB-HNNXBMFYSA-N 0 0 425.510 3.137 3 0 IGAFRN Cn1c(C(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc2sccc21 ZINC000006577149 562947473 /nfs/dbraw/zinc/94/74/73/562947473.db2.gz JAOFEKZQJPHLNB-OAHLLOKOSA-N 0 0 425.510 3.137 3 0 IGAFRN COc1ccc(OC)c(NC(=O)[C@@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000008593720 562952821 /nfs/dbraw/zinc/95/28/21/562952821.db2.gz VSGOCGXSFISQNP-MRXNPFEDSA-N 0 0 447.495 3.416 1 0 IGAFRN COC(=O)c1ccccc1NC(=O)Cn1c2c(c(C)nn2C)c(-c2ccccc2)cc1=O ZINC000008604919 562956493 /nfs/dbraw/zinc/95/64/93/562956493.db2.gz DBZRNSIZFKSSSY-UHFFFAOYSA-N 0 0 430.464 3.136 1 0 IGAFRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)c1ccccn1)CC(C)C ZINC000013489853 562990102 /nfs/dbraw/zinc/99/01/02/562990102.db2.gz QKGIVFXXAJEIST-VGSWGCGISA-N 0 0 434.540 3.272 1 0 IGAFRN Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C=O)CC4)cc3)ncc12 ZINC000013641508 562998404 /nfs/dbraw/zinc/99/84/04/562998404.db2.gz PWFVULRAVFRDIO-UHFFFAOYSA-N 0 0 432.528 3.237 1 0 IGAFRN CC(C)Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O ZINC000013678847 563000736 /nfs/dbraw/zinc/00/07/36/563000736.db2.gz HJMDUCMXXXLUEK-UHFFFAOYSA-N 0 0 446.507 3.369 1 0 IGAFRN Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O ZINC000013679332 563000829 /nfs/dbraw/zinc/00/08/29/563000829.db2.gz IIOAZJGVCGRFFO-UHFFFAOYSA-N 0 0 428.233 3.241 1 0 IGAFRN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccncc2)CC1 ZINC000013729106 563001641 /nfs/dbraw/zinc/00/16/41/563001641.db2.gz KTCLVXGQFKUEEA-UHFFFAOYSA-N 0 0 435.549 3.137 1 0 IGAFRN Cc1c(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc2n1C(=O)N1CCOCC1 ZINC000013737525 563002571 /nfs/dbraw/zinc/00/25/71/563002571.db2.gz YJSCNSZVHGNBAU-PGRDOPGGSA-N 0 0 436.537 3.232 1 0 IGAFRN CC(C)[C@H](NC(=O)CN1CCc2c3cc(Cl)ccc3[nH]c2C1=O)C(=O)C(F)(F)F ZINC000013740121 563003078 /nfs/dbraw/zinc/00/30/78/563003078.db2.gz LQDUUYPWLMAYCF-HNNXBMFYSA-N 0 0 429.826 3.092 1 0 IGAFRN Cc1cc(S(=O)(=O)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2[n+]1[O-] ZINC000013744326 563003757 /nfs/dbraw/zinc/00/37/57/563003757.db2.gz RXJZBSPJBNTCOJ-UHFFFAOYSA-N 0 0 443.488 3.462 1 0 IGAFRN COc1ccc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)cc1F ZINC000013831776 563011228 /nfs/dbraw/zinc/01/12/28/563011228.db2.gz VRVGTPHHMPYMON-JOCHJYFZSA-N 0 0 436.439 3.487 3 0 IGAFRN CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 ZINC000013863378 563013316 /nfs/dbraw/zinc/01/33/16/563013316.db2.gz DUFHNVVBRSIXJN-UHFFFAOYSA-N 0 0 449.530 3.023 1 0 IGAFRN O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(F)c(Cl)c1)NC1CCCCC1 ZINC000015936102 563018738 /nfs/dbraw/zinc/01/87/38/563018738.db2.gz QBMBXKRPOPFDEH-UHFFFAOYSA-N 0 0 435.883 3.284 3 0 IGAFRN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015941971 563019563 /nfs/dbraw/zinc/01/95/63/563019563.db2.gz CZOLGKNFTGIGPZ-QFIPXVFZSA-N 0 0 437.565 3.477 3 0 IGAFRN CC[NH2+]C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4ccccc4)c3c2F)C1 ZINC000025963202 563027629 /nfs/dbraw/zinc/02/76/29/563027629.db2.gz JFFJIAZEFCOBMB-AWEZNQCLSA-N 0 0 427.451 3.403 1 0 IGAFRN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCN(c2ccccc2)CC1 ZINC000026266000 563030338 /nfs/dbraw/zinc/03/03/38/563030338.db2.gz PADBZSDVJGXWKS-UHFFFAOYSA-N 0 0 440.547 3.304 1 0 IGAFRN O=C([O-])c1cn2c3c(cc(F)c(N4CC[NH2+]CC4)c3S[C@@H](c3ccc(F)cc3)C2)c1=O ZINC000027096861 563039416 /nfs/dbraw/zinc/03/94/16/563039416.db2.gz JMCREIZBJCLMSJ-QGZVFWFLSA-N 0 0 443.475 3.235 1 0 IGAFRN CC(C)C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000027519005 563042578 /nfs/dbraw/zinc/04/25/78/563042578.db2.gz ZJIYBGKZXVSZLP-ZQTNKXONSA-N 0 0 430.541 3.197 1 0 IGAFRN Cc1cc(CN2[C@]3(CC(=O)NC3=O)c3ccccc3S2(=O)=O)ccc1Br ZINC000027524136 563042998 /nfs/dbraw/zinc/04/29/98/563042998.db2.gz HDNTXMJEJVAPRF-GOSISDBHSA-N 0 0 435.299 3.044 1 0 IGAFRN O=C([O-])c1c2n(c3cc(N4CC[NH2+]CC4)c(F)cc3c1=O)[C@@H](c1ccccc1F)S2 ZINC000027524852 563043149 /nfs/dbraw/zinc/04/31/49/563043149.db2.gz LSLQLOXETFSCKH-LJQANCHMSA-N 0 0 429.448 3.040 1 0 IGAFRN COC(=O)C/C=C/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccc(Cl)cc2)[C@H](O)C[C@@H]1O ZINC000027620954 563044509 /nfs/dbraw/zinc/04/45/09/563044509.db2.gz VBPBSDWZVNNLPL-UPCODNKLSA-N 0 0 436.932 3.059 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(CCCc2ccccc2)CCO1 ZINC000027704650 563045431 /nfs/dbraw/zinc/04/54/31/563045431.db2.gz KPZROYHABPDRTN-GOSISDBHSA-N 0 0 431.964 3.384 1 0 IGAFRN CCCc1cc([S@](C)=O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028253310 563052267 /nfs/dbraw/zinc/05/22/67/563052267.db2.gz ORNFQJMFUAJWMO-WJOKGBTCSA-N 0 0 433.537 3.434 1 0 IGAFRN COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc2c1OCO2 ZINC000028638716 563059970 /nfs/dbraw/zinc/05/99/70/563059970.db2.gz BKBNELRCROXDSH-VHPWJVAPSA-N 0 0 430.453 3.391 1 0 IGAFRN CS(=O)(=O)NCCCCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028712053 563062854 /nfs/dbraw/zinc/06/28/54/563062854.db2.gz YPJIIDBSRRRANA-UHFFFAOYSA-N 0 0 443.654 3.161 1 0 IGAFRN COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC(=O)c1cccnc1)COC2=O ZINC000028824042 563065988 /nfs/dbraw/zinc/06/59/88/563065988.db2.gz NYIGKLSPUPIZBL-AWNIVKPZSA-N 0 0 425.437 3.427 1 0 IGAFRN O=C([C@@H](O)c1ccc(Br)cc1)N1CCC(Nc2ccc3n[nH]cc3c2)CC1 ZINC000028891709 563068380 /nfs/dbraw/zinc/06/83/80/563068380.db2.gz NQYWUAZXGFMIIN-IBGZPJMESA-N 0 0 429.318 3.462 3 0 IGAFRN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000029057077 563073541 /nfs/dbraw/zinc/07/35/41/563073541.db2.gz GNALBMXZWTYWAG-OAQYLSRUSA-N 0 0 425.916 3.146 1 0 IGAFRN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000029125852 563074442 /nfs/dbraw/zinc/07/44/42/563074442.db2.gz YWINXTHCYWBQQO-GOSISDBHSA-N 0 0 439.865 3.479 1 0 IGAFRN O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO)C1 ZINC000029128158 563075007 /nfs/dbraw/zinc/07/50/07/563075007.db2.gz SXSIVGSTMFKFCH-HSZRJFAPSA-N 0 0 439.512 3.024 1 0 IGAFRN COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CN3CCOCC3)ccc2c1 ZINC000029318483 563077730 /nfs/dbraw/zinc/07/77/30/563077730.db2.gz UWGCHSIGSMWOTJ-GOSISDBHSA-N 0 0 429.513 3.151 1 0 IGAFRN CC(C)Nc1nc2c(cc(Cl)c(Cl)c2Br)n1[C@@H]1OC[C@@H](O)[C@H]1O ZINC000032063968 563084106 /nfs/dbraw/zinc/08/41/06/563084106.db2.gz GYRMUBGZAOAIFD-BZHVJNSISA-N 0 0 425.110 3.177 1 0 IGAFRN COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)n(-c3cccc(C)c3)n2)c(OC)c1 ZINC000033668440 563084582 /nfs/dbraw/zinc/08/45/82/563084582.db2.gz NSCJVYFNYAOWEQ-UHFFFAOYSA-N 0 0 448.523 3.169 1 0 IGAFRN CCCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 ZINC000034776343 563087092 /nfs/dbraw/zinc/08/70/92/563087092.db2.gz GODQVOUTCHZIOJ-KRWDZBQOSA-N 0 0 428.553 3.487 1 0 IGAFRN O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCCSCCOCCc1ccccc1)ccc2[O-] ZINC000034946055 563088557 /nfs/dbraw/zinc/08/85/57/563088557.db2.gz GIBUZEJUJJDWTJ-IBGZPJMESA-N 0 0 448.610 3.301 1 0 IGAFRN CCOC(=O)[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000035049993 563089013 /nfs/dbraw/zinc/08/90/13/563089013.db2.gz YDOHGGDCAQRASN-IBGZPJMESA-N 0 0 428.441 3.129 1 0 IGAFRN COC(=O)c1ccc(C(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000036330612 563092830 /nfs/dbraw/zinc/09/28/30/563092830.db2.gz ZCIPBCBYSLHGOA-UHFFFAOYSA-N 0 0 439.556 3.346 1 0 IGAFRN NC(=O)CCCn1c(C(=O)c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000036383474 563094228 /nfs/dbraw/zinc/09/42/28/563094228.db2.gz RDNQQNGMBYMEDJ-UHFFFAOYSA-N 0 0 425.794 3.443 3 0 IGAFRN CN(Cc1nc2c(cccc2C(=O)NCCc2c[nH]cn2)[nH]1)[C@H]1CCCc2cccnc21 ZINC000038239753 563097125 /nfs/dbraw/zinc/09/71/25/563097125.db2.gz VLMHVPDHRBQBED-FQEVSTJZSA-N 0 0 429.528 3.163 1 0 IGAFRN CN1CCC[C@@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn43)c3cccnc32)C1 ZINC000038513721 563097956 /nfs/dbraw/zinc/09/79/56/563097956.db2.gz USGWILIMLVFFGV-GFCCVEGCSA-N 0 0 435.962 3.498 1 0 IGAFRN O=C1C[C@@H](c2ccccc2C(F)(F)F)C(=O)N1CN1CCN(c2ccccc2F)CC1 ZINC000040411697 563101780 /nfs/dbraw/zinc/10/17/80/563101780.db2.gz FIEJTGFHBAOSFC-INIZCTEOSA-N 0 0 435.421 3.467 1 0 IGAFRN O=C1CC[C@](c2ccccn2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040430469 563103480 /nfs/dbraw/zinc/10/34/80/563103480.db2.gz KJOHICOVVWXUGM-JOCHJYFZSA-N 0 0 442.357 3.431 1 0 IGAFRN COc1cc(C2=NC(=S)N[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000040859933 563107919 /nfs/dbraw/zinc/10/79/19/563107919.db2.gz LGGZBFJYIWUWIB-AWEZNQCLSA-N 0 0 446.525 3.298 1 0 IGAFRN COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1O[C@H]1CCOC1 ZINC000043120061 563118724 /nfs/dbraw/zinc/11/87/24/563118724.db2.gz KQYOTSLVCDQZMU-HNNXBMFYSA-N 0 0 438.509 3.488 3 0 IGAFRN O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000045193330 563124112 /nfs/dbraw/zinc/12/41/12/563124112.db2.gz KFGDCEFXHBZSLH-KRWDZBQOSA-N 0 0 436.447 3.488 1 0 IGAFRN COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(OC)cc4)n3)C2)cc1 ZINC000045195165 563124486 /nfs/dbraw/zinc/12/44/86/563124486.db2.gz NLZFLYXUYNIEBG-LJQANCHMSA-N 0 0 448.527 3.316 1 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)c1c[nH]c2ccccc12 ZINC000045245124 563126407 /nfs/dbraw/zinc/12/64/07/563126407.db2.gz ZPCUHILUFXYJNY-UHFFFAOYSA-N 0 0 440.297 3.098 1 0 IGAFRN O=C(NC[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(-n3cncn3)cc21)c1ccc(F)cc1 ZINC000045258572 563127497 /nfs/dbraw/zinc/12/74/97/563127497.db2.gz WOAVNQWAOKKNOV-GOSISDBHSA-N 0 0 435.337 3.156 1 0 IGAFRN COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)cc1 ZINC000045302213 563129367 /nfs/dbraw/zinc/12/93/67/563129367.db2.gz HVCBCXSPANBHQW-LJQANCHMSA-N 0 0 436.491 3.446 1 0 IGAFRN O=C(NCCNC(=O)c1ccc(Cl)nc1)c1cn(-c2ccccc2)nc1C(F)(F)F ZINC000049066816 563137268 /nfs/dbraw/zinc/13/72/68/563137268.db2.gz KREKZWAPZKPSCR-UHFFFAOYSA-N 0 0 437.809 3.099 1 0 IGAFRN CCOc1cccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)c1 ZINC000049071141 563137810 /nfs/dbraw/zinc/13/78/10/563137810.db2.gz GDQGNDISNUUYPE-UHFFFAOYSA-N 0 0 446.429 3.450 1 0 IGAFRN O=C1CC2(CCCC2)CC(=O)N1OCCN1CCN(c2nsc3ccccc32)CC1 ZINC000053050140 563140898 /nfs/dbraw/zinc/14/08/98/563140898.db2.gz HYIUAGVTCHMUNW-UHFFFAOYSA-N 0 0 428.558 3.059 1 0 IGAFRN O=C(NCCc1ccc(F)cc1)c1cc(-n2cc(-c3cc(O)ccc3O)nn2)ccc1O ZINC000053294848 563141824 /nfs/dbraw/zinc/14/18/24/563141824.db2.gz GVNYAUGAUVCZLR-UHFFFAOYSA-N 0 0 434.427 3.163 1 0 IGAFRN O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1 ZINC000058591246 563145528 /nfs/dbraw/zinc/14/55/28/563145528.db2.gz ZQEAQUSWNZXSRY-XMMPIXPASA-N 0 0 431.423 3.309 1 0 IGAFRN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1 ZINC000059545796 563146641 /nfs/dbraw/zinc/14/66/41/563146641.db2.gz BLXGJORAPNIJTJ-QIXNEVBVSA-N 0 0 446.573 3.117 1 0 IGAFRN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1C/C(C)=C/c1ccccc1 ZINC000059790594 563146724 /nfs/dbraw/zinc/14/67/24/563146724.db2.gz FIIDTXDIZUQAPL-IIXJCWKDSA-N 0 0 438.524 3.153 1 0 IGAFRN C[C@H](O)[C@@H]1C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000061924214 563149679 /nfs/dbraw/zinc/14/96/79/563149679.db2.gz SGGLKOXFSPSGKS-JNHSIYEJSA-N 0 0 438.572 3.337 3 0 IGAFRN CC(=O)Nc1ccc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061928911 563150446 /nfs/dbraw/zinc/15/04/46/563150446.db2.gz ONRYYCAXWAKABU-QFIPXVFZSA-N 0 0 429.480 3.157 3 0 IGAFRN Cc1nnsc1C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000061969844 563152086 /nfs/dbraw/zinc/15/20/86/563152086.db2.gz WOSYESCSLYWFOT-KRWDZBQOSA-N 0 0 439.507 3.292 3 0 IGAFRN Cn1c2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2c2c1CCN(CCO)C2 ZINC000064559242 563156026 /nfs/dbraw/zinc/15/60/26/563156026.db2.gz YBAXZCUPOJJSKS-UHFFFAOYSA-N 0 0 429.520 3.259 1 0 IGAFRN CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3cc(Cl)c[nH]3)sc2C1 ZINC000066075999 563157516 /nfs/dbraw/zinc/15/75/16/563157516.db2.gz YLJJYVNXARFFLX-UHFFFAOYSA-N 0 0 429.933 3.295 1 0 IGAFRN CCn1cc2c(n1)nc(NC(=O)Nc1ccc3c(c1)COC3)n1nc(-c3ccco3)nc21 ZINC000066251442 563159917 /nfs/dbraw/zinc/15/99/17/563159917.db2.gz NNJHPWVMDUMCTA-UHFFFAOYSA-N 0 0 430.428 3.428 1 0 IGAFRN CC(=O)N1CCN(CCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000066259105 563160439 /nfs/dbraw/zinc/16/04/39/563160439.db2.gz BQWJKSUUGMQCIO-UHFFFAOYSA-N 0 0 440.588 3.320 1 0 IGAFRN CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000068121111 563161024 /nfs/dbraw/zinc/16/10/24/563161024.db2.gz MAAGUWONZDCLSO-GOSISDBHSA-N 0 0 437.584 3.451 1 0 IGAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1C1CCCCC1)C1CC1)CC2 ZINC000072138575 563164318 /nfs/dbraw/zinc/16/43/18/563164318.db2.gz BWXWBHSTUVQLLA-NRFANRHFSA-N 0 0 435.576 3.058 3 0 IGAFRN CCCOC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21 ZINC000072177926 563166112 /nfs/dbraw/zinc/16/61/12/563166112.db2.gz GTBGPJOQAORMIF-IBGZPJMESA-N 0 0 443.525 3.441 1 0 IGAFRN O=C(NCc1cc(F)cc(F)c1)c1cc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000073138812 563168810 /nfs/dbraw/zinc/16/88/10/563168810.db2.gz WBXPKGPWRUNRHX-UHFFFAOYSA-N 0 0 447.463 3.079 1 0 IGAFRN COC(=O)[C@H]1Cc2c([nH]c3ccccc32)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000073158154 563169216 /nfs/dbraw/zinc/16/92/16/563169216.db2.gz FSYAPDMBYROULY-GOSISDBHSA-N 0 0 449.326 3.219 1 0 IGAFRN CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000082158006 563173867 /nfs/dbraw/zinc/17/38/67/563173867.db2.gz ICVTXAUKIHJDGV-BXEHRHDKSA-N 0 0 448.512 3.448 1 0 IGAFRN CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1 ZINC000084722731 563178025 /nfs/dbraw/zinc/17/80/25/563178025.db2.gz NERZSSGUGILTQW-UHFFFAOYSA-N 0 0 443.504 3.133 1 0 IGAFRN O=C(NCCCNc1nc(Nc2cccc(F)c2)ncc1Br)c1cnccn1 ZINC000095558507 563181792 /nfs/dbraw/zinc/18/17/92/563181792.db2.gz WYPHCSSATDPLMA-UHFFFAOYSA-N 0 0 446.284 3.144 1 0 IGAFRN CCOC(=O)C[C@@H]1c2cc(-c3cc(OC)cc(OC)c3)ccc2OC(N)=C1C(=O)OC ZINC000095558826 563181884 /nfs/dbraw/zinc/18/18/84/563181884.db2.gz UIXDRRQDAABLPO-GOSISDBHSA-N 0 0 427.453 3.143 1 0 IGAFRN CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)NC(C)(C)C)CC2 ZINC000095564177 563183079 /nfs/dbraw/zinc/18/30/79/563183079.db2.gz KQNOMPNENZWATD-UHFFFAOYSA-N 0 0 445.571 3.479 1 0 IGAFRN O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000095566689 563183598 /nfs/dbraw/zinc/18/35/98/563183598.db2.gz CCAOOWOIJSFRQF-QZTJIDSGSA-N 0 0 445.972 3.314 3 0 IGAFRN Cc1nc2cc(-c3ccc4c(c3)OCO4)nn2c(N2CCN(C(=O)c3ccoc3)CC2)c1C ZINC000095568177 563183841 /nfs/dbraw/zinc/18/38/41/563183841.db2.gz FDXVYKMRGPSERJ-UHFFFAOYSA-N 0 0 445.479 3.297 1 0 IGAFRN Cc1ccccc1CN1C(=O)c2ccccc2[C@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095568863 563184008 /nfs/dbraw/zinc/18/40/08/563184008.db2.gz HWZIMQSJVGNQHV-QHCPKHFHSA-N 0 0 439.475 3.487 3 0 IGAFRN CC(C)S(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc43)n2)CC1 ZINC000095582617 563187977 /nfs/dbraw/zinc/18/79/77/563187977.db2.gz ZPPSVALBWXRRHU-UHFFFAOYSA-N 0 0 426.542 3.274 1 0 IGAFRN COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl ZINC000095583384 563188338 /nfs/dbraw/zinc/18/83/38/563188338.db2.gz GPFGZPXVTNEPLN-UHFFFAOYSA-N 0 0 434.821 3.360 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)Nc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593132 563190643 /nfs/dbraw/zinc/19/06/43/563190643.db2.gz IFDZUAKZGYYTSV-UZUQRXQVSA-N 0 0 429.469 3.397 1 0 IGAFRN COC1=C(c2ccc(Cl)cc2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594056 563190890 /nfs/dbraw/zinc/19/08/90/563190890.db2.gz YZGLTMYTBNGJFV-PZJWPPBQSA-N 0 0 433.863 3.332 1 0 IGAFRN Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2F)n(C)n1 ZINC000095602102 563193028 /nfs/dbraw/zinc/19/30/28/563193028.db2.gz QYVDIKNXRIDAGA-UHFFFAOYSA-N 0 0 449.446 3.303 1 0 IGAFRN Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2C)n(C)n1 ZINC000095605879 563194148 /nfs/dbraw/zinc/19/41/48/563194148.db2.gz CKFGBDPRYSAZQN-UHFFFAOYSA-N 0 0 445.483 3.473 1 0 IGAFRN O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000096271381 563196721 /nfs/dbraw/zinc/19/67/21/563196721.db2.gz FLQDGOLWNFBEFN-UHFFFAOYSA-N 0 0 433.493 3.422 1 0 IGAFRN CS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1 ZINC000096928091 563198267 /nfs/dbraw/zinc/19/82/67/563198267.db2.gz VUTVPGWMIMZGPU-UHFFFAOYSA-N 0 0 445.932 3.012 1 0 IGAFRN Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccccc4F)CC3)ccc2n1 ZINC000096928375 563198416 /nfs/dbraw/zinc/19/84/16/563198416.db2.gz QMXBKTGDLNUGBC-UHFFFAOYSA-N 0 0 428.562 3.274 1 0 IGAFRN CC(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1 ZINC000096938254 563199807 /nfs/dbraw/zinc/19/98/07/563199807.db2.gz OWFJMYWBVGCGQQ-UHFFFAOYSA-N 0 0 429.524 3.488 1 0 IGAFRN Cc1cccc(N2CCN(C(=O)[C@@H](C)n3nc(C)n4c5ccoc5cc4c3=O)CC2)c1C ZINC000008611167 132288465 /nfs/dbraw/zinc/28/84/65/132288465.db2.gz ZVPHWYCMLIEDTD-QGZVFWFLSA-N 0 0 433.512 3.077 3 0 IGAFRN COc1ccc([C@@H](CS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 ZINC000001487828 562922218 /nfs/dbraw/zinc/92/22/18/562922218.db2.gz JJVMWANXAMHGPS-LJQANCHMSA-N 0 0 443.521 3.399 1 0 IGAFRN COC(=O)CCc1cc2c(c(OC)c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H]2C(=O)OC ZINC000001645370 562923684 /nfs/dbraw/zinc/92/36/84/562923684.db2.gz VYPDDYLRLTWJLX-RTWAWAEBSA-N 0 0 430.453 3.208 1 0 IGAFRN COC(=O)c1cc(NC(=O)c2cc(NC(=O)Cc3c[nH]c4ccccc34)cn2C)cn1C ZINC000001663019 562924420 /nfs/dbraw/zinc/92/44/20/562924420.db2.gz ZLKCIVZUTQUPIN-UHFFFAOYSA-N 0 0 433.468 3.065 1 0 IGAFRN O=C(NCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003454046 562936077 /nfs/dbraw/zinc/93/60/77/562936077.db2.gz ZBMXFVBRBQOKOL-MRXNPFEDSA-N 0 0 430.423 3.314 3 0 IGAFRN CSC(=O)N1C(=O)C2(CCC2)[C@@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000003649684 562937360 /nfs/dbraw/zinc/93/73/60/562937360.db2.gz LGNHXRXMDBKLQF-KKUMJFAQSA-N 0 0 439.578 3.001 1 0 IGAFRN O=C([C@H](NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000004057241 562941278 /nfs/dbraw/zinc/94/12/78/562941278.db2.gz PVZJYXXPEOJTDW-OAQYLSRUSA-N 0 0 441.578 3.117 3 0 aggregator IGAFRN COc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(OC)cc3)C23C(=O)NC(=S)NC3=O)cc1 ZINC000005924745 562945495 /nfs/dbraw/zinc/94/54/95/562945495.db2.gz OANOGOKZZAEWTE-OALUTQOASA-N 0 0 438.505 3.292 1 0 IGAFRN O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000008600886 562955131 /nfs/dbraw/zinc/95/51/31/562955131.db2.gz GFSMAMATLKIIQE-UHFFFAOYSA-N 0 0 445.928 3.078 1 0 IGAFRN Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCc1ccc(OC(C)C)cc1 ZINC000008604843 562956412 /nfs/dbraw/zinc/95/64/12/562956412.db2.gz QVDBMSGHEAFDLC-UHFFFAOYSA-N 0 0 436.434 3.166 1 0 IGAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(/C=C/c3ccco3)=NO2)cc1 ZINC000012355139 562981373 /nfs/dbraw/zinc/98/13/73/562981373.db2.gz IHQRVQUVWKEKQN-SGWGQVFISA-N 0 0 437.477 3.391 1 0 IGAFRN CC1(C)S[C@@H]2[C@H](C(=O)OCc3ccccc3)NC(=O)N2[C@@H]1C(=O)OCc1ccccc1 ZINC000012479016 562982367 /nfs/dbraw/zinc/98/23/67/562982367.db2.gz LPXALDJLBWHJBQ-GUDVDZBRSA-N 0 0 440.521 3.087 3 0 IGAFRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1F ZINC000013086231 562984361 /nfs/dbraw/zinc/98/43/61/562984361.db2.gz JZOPEMBVMHINIY-KUHUBIRLSA-N 0 0 429.517 3.489 3 0 IGAFRN CSc1nc2n(n1)[C@@H](c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2 ZINC000013123728 562984833 /nfs/dbraw/zinc/98/48/33/562984833.db2.gz SNWWQRITSUDZLL-ZDUSSCGKSA-N 0 0 426.315 3.279 3 0 IGAFRN COc1cc2ncnc(N3CCN(C(=S)N(C)Cc4ccccc4)CC3)c2cc1OC ZINC000013491551 562990411 /nfs/dbraw/zinc/99/04/11/562990411.db2.gz PPSBBJNODUNOKI-UHFFFAOYSA-N 0 0 437.569 3.186 1 0 IGAFRN COc1cc2ncnc(N3CCN(C(=S)NCc4ccc(C)cc4)CC3)c2cc1OC ZINC000013491514 562990439 /nfs/dbraw/zinc/99/04/39/562990439.db2.gz MIOCXPOZNHTSBC-UHFFFAOYSA-N 0 0 437.569 3.152 1 0 IGAFRN COc1cc2ncnc(N3CCN(C(=S)N[C@@H](C)c4ccccc4)CC3)c2cc1OC ZINC000013491520 562990459 /nfs/dbraw/zinc/99/04/59/562990459.db2.gz JJICUGUAKGHFQB-INIZCTEOSA-N 0 0 437.569 3.405 1 0 IGAFRN CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000013553977 562992952 /nfs/dbraw/zinc/99/29/52/562992952.db2.gz LCQPWZBJVYXVRQ-GOSISDBHSA-N 0 0 430.892 3.242 1 0 IGAFRN O=S(=O)(c1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1)N1CCNCC1 ZINC000013588910 562996101 /nfs/dbraw/zinc/99/61/01/562996101.db2.gz ADDJZCFRZPJIHD-UHFFFAOYSA-N 0 0 429.933 3.135 1 0 IGAFRN O=C1N(CC2CC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H]([C@@H](O)Cc2ccccc2)N1CC1CC1 ZINC000013782658 563006895 /nfs/dbraw/zinc/00/68/95/563006895.db2.gz PQMBODHCTIXNLD-ZJSPYRCASA-N 0 0 434.580 3.488 1 0 IGAFRN O=C(c1ccc(OCCCN2C[C@@H]3C[C@H]2CN3S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000013859912 563012497 /nfs/dbraw/zinc/01/24/97/563012497.db2.gz VTEVXXNMGHFODV-SFTDATJTSA-N 0 0 440.565 3.196 1 0 IGAFRN O=C(CC[C@H]1CCc2cc3c([nH+]c2C1)NCCC3)NC[C@@H](C(=O)[O-])c1ccc2c(c1)OCC2 ZINC000013860643 563012583 /nfs/dbraw/zinc/01/25/83/563012583.db2.gz ZIYZOTDZIZBOGY-IIBYNOLFSA-N 0 0 449.551 3.244 1 0 IGAFRN O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013862667 563013113 /nfs/dbraw/zinc/01/31/13/563013113.db2.gz RHCHOQUYGIEZEW-FCHUYYIVSA-N 0 0 435.501 3.302 1 0 IGAFRN CCCN(CCOC)c1nc(C)nc2c1NC(=O)CN2c1cc(OC)c(OC)cc1C ZINC000014975068 563016822 /nfs/dbraw/zinc/01/68/22/563016822.db2.gz QJCMDBCEXUEANA-UHFFFAOYSA-N 0 0 429.521 3.064 1 0 IGAFRN CN1c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C(C)(C)C1=O ZINC000015941925 563019556 /nfs/dbraw/zinc/01/95/56/563019556.db2.gz OGIHZFHPHPPQDP-UHFFFAOYSA-N 0 0 433.961 3.105 3 0 IGAFRN COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 ZINC000022930607 563026295 /nfs/dbraw/zinc/02/62/95/563026295.db2.gz WZOMJNATDSYQHS-VTYJTISCSA-N 0 0 449.551 3.146 1 0 IGAFRN COc1ccc(C(=O)CN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000026947195 563038072 /nfs/dbraw/zinc/03/80/72/563038072.db2.gz LDULEPBGXYGGLL-UHFFFAOYSA-N 0 0 436.489 3.285 1 0 IGAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(N)=O)C2 ZINC000027314301 563041458 /nfs/dbraw/zinc/04/14/58/563041458.db2.gz SCVJPKXQYIMBID-LJFZDNNRSA-N 0 0 445.629 3.159 1 0 IGAFRN C[C@H]1[C@H]([NH3+])CN1c1c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3F)c2c1Cl ZINC000027423705 563042095 /nfs/dbraw/zinc/04/20/95/563042095.db2.gz MGBPVANPCHUGII-RMLUDKJBSA-N 0 0 437.805 3.295 1 0 IGAFRN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000027524191 563043034 /nfs/dbraw/zinc/04/30/34/563043034.db2.gz NNAXKHVAOITCFH-VXKWHMMOSA-N 0 0 430.508 3.212 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1 ZINC000027706215 563045603 /nfs/dbraw/zinc/04/56/03/563045603.db2.gz RGVOBYIBFIHUJF-CQSZACIVSA-N 0 0 439.890 3.230 1 0 IGAFRN NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Br)c1 ZINC000027734694 563046362 /nfs/dbraw/zinc/04/63/62/563046362.db2.gz RKLWMCZBLWNDDT-UHFFFAOYSA-N 0 0 443.706 3.468 1 0 IGAFRN C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000028524526 563056450 /nfs/dbraw/zinc/05/64/50/563056450.db2.gz KSCGPLKTYDMRJM-VIFPVBQESA-N 0 0 427.288 3.429 1 0 IGAFRN CC(C)CNC(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1 ZINC000028568667 563058515 /nfs/dbraw/zinc/05/85/15/563058515.db2.gz FEQIPHBKOMDKNA-UHFFFAOYSA-N 0 0 446.551 3.138 1 0 IGAFRN Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CCCNC(=O)c1ccncc1)CC2 ZINC000028570981 563059214 /nfs/dbraw/zinc/05/92/14/563059214.db2.gz QSXPWEPXOLMPJS-KRWDZBQOSA-N 0 0 440.544 3.059 1 0 IGAFRN CNC(=O)[C@H](NC(=O)OC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 ZINC000029127863 563075006 /nfs/dbraw/zinc/07/50/06/563075006.db2.gz MPYSWQNVJQKEJI-LJQANCHMSA-N 0 0 438.509 3.393 1 0 IGAFRN COc1ccc(-c2cn(C(C)=O)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029131460 563075651 /nfs/dbraw/zinc/07/56/51/563075651.db2.gz ULERYWYGNJWNQN-UHFFFAOYSA-N 0 0 428.441 3.009 1 0 IGAFRN CC[C@@H]1C[C@H]([NH3+])CN1c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2-c1ccc(F)cc1F ZINC000029343450 563078550 /nfs/dbraw/zinc/07/85/50/563078550.db2.gz NZJZXOWDPBJBAM-QWHCGFSZSA-N 0 0 431.414 3.422 1 0 IGAFRN COC(=O)[C@@H](Cc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000031899926 563083788 /nfs/dbraw/zinc/08/37/88/563083788.db2.gz WWSDPLYIMKUEOL-HNNXBMFYSA-N 0 0 428.266 3.476 1 0 IGAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000034290187 563086017 /nfs/dbraw/zinc/08/60/17/563086017.db2.gz XQXXTTFZQSPXBR-MYDCNYLUSA-N 0 0 428.437 3.063 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@H]1O ZINC000034392722 563086260 /nfs/dbraw/zinc/08/62/60/563086260.db2.gz LHPCGJVWVCFFAG-TXBYWVTISA-N 0 0 441.553 3.263 1 0 IGAFRN O=C(Nc1ccc2c(c1)NC(=O)[C@@H](CCO)O2)C1CCN(c2cc(F)c(F)c(F)c2)CC1 ZINC000034642941 563086836 /nfs/dbraw/zinc/08/68/36/563086836.db2.gz OSJROQUTACPGAR-LJQANCHMSA-N 0 0 449.429 3.041 1 0 IGAFRN COCCNC(=O)c1cc(-c2ccccc2)n(C[C@@H]2CC(c3ccc(OC)cc3)=NO2)n1 ZINC000036384165 563094310 /nfs/dbraw/zinc/09/43/10/563094310.db2.gz JAFBRFLGXQYFIY-FQEVSTJZSA-N 0 0 434.496 3.128 3 0 IGAFRN Cc1c2sc(C(=O)NCc3ccc4[nH]ccc4c3)cn2c(=O)n(Cc2ccccc2)c1=O ZINC000038382537 563097598 /nfs/dbraw/zinc/09/75/98/563097598.db2.gz KTXXTAMHYVKIKC-UHFFFAOYSA-N 0 0 444.516 3.291 1 0 IGAFRN CC(=O)O[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 ZINC000040913563 563111070 /nfs/dbraw/zinc/11/10/70/563111070.db2.gz MJPZVPAXAYMYNU-BJKOFHAPSA-N 0 0 448.494 3.415 1 0 IGAFRN COCCN(CCOC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn21 ZINC000040938292 563113116 /nfs/dbraw/zinc/11/31/16/563113116.db2.gz QZAWSGIHVOLHMR-UHFFFAOYSA-N 0 0 437.903 3.308 1 0 IGAFRN Cc1oc2nc(N3CC[C@@H](C)N(C(=O)c4cc(C)ccc4-n4nccn4)CC3)ncc2c1C ZINC000043196191 563119267 /nfs/dbraw/zinc/11/92/67/563119267.db2.gz KAUVENWIKOUYCS-MRXNPFEDSA-N 0 0 445.527 3.470 1 0 IGAFRN C[C@H]1Cn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)[O-])C4=O)cc2C[NH2+]1 ZINC000045257025 563127404 /nfs/dbraw/zinc/12/74/04/563127404.db2.gz FGXDJMUYYHVSTF-APPDUMDISA-N 0 0 431.439 3.114 1 0 IGAFRN Cc1c[nH]c2ncnc(N3CCN(C(=O)Nc4cccc(C(=O)NC(C)C)c4)[C@@H](C)C3)c12 ZINC000045285438 563128201 /nfs/dbraw/zinc/12/82/01/563128201.db2.gz SPKWLNDBVFRGKM-INIZCTEOSA-N 0 0 435.532 3.147 1 0 IGAFRN Nc1nc(NCc2cccc(-c3ccccc3)c2)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000045288782 563128660 /nfs/dbraw/zinc/12/86/60/563128660.db2.gz QHAGOHIAKZCMTG-NRFANRHFSA-N 0 0 440.507 3.354 1 0 IGAFRN O=S(=O)(c1ccc(F)cc1)N(CCCN1CCN(c2ccccc2)CC1)CC1CC1 ZINC000045373098 563133520 /nfs/dbraw/zinc/13/35/20/563133520.db2.gz IKAPDKMVJPPGFU-UHFFFAOYSA-N 0 0 431.577 3.439 1 0 IGAFRN O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cccc4ccccc43)CO[C@@H]21 ZINC000045505834 563134799 /nfs/dbraw/zinc/13/47/99/563134799.db2.gz FNQRGNSSQPUDON-KAOXLYBCSA-N 0 0 433.460 3.458 1 0 IGAFRN Cc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)c(C)c1 ZINC000059790559 563146714 /nfs/dbraw/zinc/14/67/14/563146714.db2.gz GOJHCZRBRHAQKK-YADHBBJMSA-N 0 0 438.963 3.118 1 0 IGAFRN CC(C)NC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccc3cccnc32)on1 ZINC000061895648 563147166 /nfs/dbraw/zinc/14/71/66/563147166.db2.gz UKDNFJFMVBDDNI-QGZVFWFLSA-N 0 0 428.514 3.277 3 0 IGAFRN COc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5cccnc5)CC4)n3n2)cc1 ZINC000061944505 563151010 /nfs/dbraw/zinc/15/10/10/563151010.db2.gz JPLXCDBAUDKKQW-UHFFFAOYSA-N 0 0 428.496 3.071 3 0 IGAFRN O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948769 563151663 /nfs/dbraw/zinc/15/16/63/563151663.db2.gz IZAUNFAEUTXXFR-UHFFFAOYSA-N 0 0 436.489 3.187 3 0 IGAFRN CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@H]1c1ccc(F)c(Cl)c1 ZINC000061958877 563151911 /nfs/dbraw/zinc/15/19/11/563151911.db2.gz GGRBSYSFSMZJRY-SFHVURJKSA-N 0 0 442.871 3.457 3 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]12C ZINC000061959410 563151995 /nfs/dbraw/zinc/15/19/95/563151995.db2.gz LFXHGLMKJJRCJC-CCIIEHSASA-N 0 0 434.492 3.399 3 0 IGAFRN CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(CCC)cc(N3CCOCC3)nn12 ZINC000064541009 563155339 /nfs/dbraw/zinc/15/53/39/563155339.db2.gz QYNNHXAKPUJMCX-UHFFFAOYSA-N 0 0 431.533 3.429 1 0 IGAFRN O=C(Cc1ccccc1)NCCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000064549666 563155753 /nfs/dbraw/zinc/15/57/53/563155753.db2.gz FFWGPBIZCDVLBZ-UHFFFAOYSA-N 0 0 433.533 3.391 1 0 IGAFRN Cc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2F)c1N ZINC000064560260 563156160 /nfs/dbraw/zinc/15/61/60/563156160.db2.gz AZXHIHJZWAVGAC-UHFFFAOYSA-N 0 0 433.447 3.140 1 0 IGAFRN CN1CCc2nc(C(=O)Nc3cnccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000066065925 563156961 /nfs/dbraw/zinc/15/69/61/563156961.db2.gz IEFFPRFXSIHJIZ-UHFFFAOYSA-N 0 0 447.973 3.423 1 0 IGAFRN CN1CCc2nc(C(=O)Nc3ncccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000066065924 563157035 /nfs/dbraw/zinc/15/70/35/563157035.db2.gz FBCFKJYCNWOJKB-UHFFFAOYSA-N 0 0 447.973 3.423 1 0 IGAFRN Cc1cc(Nc2nc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn3cccc23)n[nH]1 ZINC000066073710 563157220 /nfs/dbraw/zinc/15/72/20/563157220.db2.gz GSWUREBNRYSHSL-UHFFFAOYSA-N 0 0 436.907 3.120 1 0 IGAFRN CN1CCc2nc(C(=O)N3CCC[C@@H](CNC(=O)c4ccc(Cl)s4)C3)sc2C1 ZINC000066073870 563157295 /nfs/dbraw/zinc/15/72/95/563157295.db2.gz AQVYWNBOLPUAFC-LBPRGKRZSA-N 0 0 439.006 3.128 1 0 IGAFRN CN(C)c1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1 ZINC000066076750 563157617 /nfs/dbraw/zinc/15/76/17/563157617.db2.gz SYUPFOJHEFUMGF-UHFFFAOYSA-N 0 0 428.500 3.128 1 0 IGAFRN O=C1OCC2=Nc3n[nH]cc3[C@@H](c3cc(Br)cc(Br)c3O)C12 ZINC000071280632 563161437 /nfs/dbraw/zinc/16/14/37/563161437.db2.gz HEWOOYRHTDFCIG-SNVBAGLBSA-N 0 0 427.052 3.009 1 0 IGAFRN COc1ccc(-n2nnnc2[C@H](C2CC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072141148 563164627 /nfs/dbraw/zinc/16/46/27/563164627.db2.gz IHONVXCPIIHWGQ-LNJOJYBOSA-N 0 0 430.556 3.453 3 0 IGAFRN CCCC(=O)O[C@@H]1C(OCc2ccc3ccccc3c2)=C[C@@](O)(C(=O)OCC)C[C@H]1O ZINC000072179825 563166634 /nfs/dbraw/zinc/16/66/34/563166634.db2.gz DXYGIHNFVLXVGJ-WNOPAQSVSA-N 0 0 428.481 3.011 1 0 IGAFRN COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@H]2C ZINC000072179933 563166656 /nfs/dbraw/zinc/16/66/56/563166656.db2.gz CGCDOVOCJQXOOK-QDYQLLPISA-N 0 0 434.441 3.369 1 0 IGAFRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)CSc2ccccn2)cc1 ZINC000073138843 563168791 /nfs/dbraw/zinc/16/87/91/563168791.db2.gz JBJMOYHEDUGNJV-LEWJYISDSA-N 0 0 428.579 3.433 1 0 IGAFRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c[nH]nc1-c1ccc(OC)cc1 ZINC000073141418 563169034 /nfs/dbraw/zinc/16/90/34/563169034.db2.gz LYVVBCOAPPXZPD-UHFFFAOYSA-N 0 0 425.485 3.446 1 0 IGAFRN Cc1cc(N2CCOCC2)cc2nc(-c3c(NC[C@H](O)c4ccccc4)cc[nH]c3=O)[nH]c21 ZINC000073410341 563172793 /nfs/dbraw/zinc/17/27/93/563172793.db2.gz WBQBMMMQJSJEJT-NRFANRHFSA-N 0 0 445.523 3.209 1 0 IGAFRN COC(=O)/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O ZINC000084759252 563179726 /nfs/dbraw/zinc/17/97/26/563179726.db2.gz FNAMRDZHKYQEBA-XZMSTSIHSA-N 0 0 436.932 3.059 1 0 in-man IGAFRN COc1ccc(NC(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)cc1 ZINC000095569225 563184004 /nfs/dbraw/zinc/18/40/04/563184004.db2.gz NQYQWYBLZOGQEU-KMDXXIMOSA-N 0 0 430.508 3.471 1 0 IGAFRN COCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095570156 563184268 /nfs/dbraw/zinc/18/42/68/563184268.db2.gz DDKOWABNXFSWAT-LJQANCHMSA-N 0 0 447.576 3.090 3 0 IGAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(OC(F)(F)F)c3)c3c2ncnc3N)C1 ZINC000095576933 563186112 /nfs/dbraw/zinc/18/61/12/563186112.db2.gz WUKALNWRWWDHBY-CYBMUJFWSA-N 0 0 432.406 3.324 1 0 IGAFRN O=C(Nc1nccnc1C(=O)NCC1CCC1)c1ccc(Cn2ccnn2)c2ccccc12 ZINC000095594647 563191128 /nfs/dbraw/zinc/19/11/28/563191128.db2.gz WGBXCFFEQOKHNE-UHFFFAOYSA-N 0 0 441.495 3.052 1 0 IGAFRN CCCC[C@H](NC(=O)OCC1(c2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1cc[nH]n1 ZINC000095596123 563191480 /nfs/dbraw/zinc/19/14/80/563191480.db2.gz OONAUXJVVJPGFH-KRWDZBQOSA-N 0 0 430.480 3.463 1 0 IGAFRN CC(C)OC(=O)N1CCC(n2cc(CNc3ccc(S(C)(=O)=O)cc3F)cn2)CC1 ZINC000095597935 563191962 /nfs/dbraw/zinc/19/19/62/563191962.db2.gz XJVPRZSPEQOTEH-UHFFFAOYSA-N 0 0 438.525 3.220 1 0 IGAFRN Cc1ccc(S(=O)(=O)N2[C@@H](CO)CO[C@H]2CC(=O)c2cccc3ccccc32)cc1 ZINC000095600800 563192630 /nfs/dbraw/zinc/19/26/30/563192630.db2.gz LCWSGAYTOQSBOG-MBSDFSHPSA-N 0 0 425.506 3.129 3 0 IGAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095600688 563192661 /nfs/dbraw/zinc/19/26/61/563192661.db2.gz NTWJWSUXVLKZHZ-HXOBKFHXSA-N 0 0 446.569 3.211 3 0 IGAFRN CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095605384 563193964 /nfs/dbraw/zinc/19/39/64/563193964.db2.gz YHPYTPWYEOEEGK-NLFFAJNJSA-N 0 0 444.572 3.202 3 0 IGAFRN Cc1n[nH]c2c1cc(C(=O)N1CCC3(CC1)Cc1cn(C(C)(C)C)nc1C(=O)N3C)cc2C ZINC000096283380 563197193 /nfs/dbraw/zinc/19/71/93/563197193.db2.gz DIVWBPDXMBOOBX-UHFFFAOYSA-N 0 0 448.571 3.434 1 0 IGAFRN C=CC(=O)Nc1ccc(-n2c3nc(Nc4ccc(OC)cc4)ncc3nc(C)c2=O)cc1 ZINC000096933675 563199061 /nfs/dbraw/zinc/19/90/61/563199061.db2.gz WZUJQAJDFCNKQS-UHFFFAOYSA-N 0 0 428.452 3.361 1 0 IGAFRN C[C@@H](O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000040164354 574414528 /nfs/dbraw/zinc/41/45/28/574414528.db2.gz UBCPEZWGUOSYHO-OWOBXJCUSA-N 0 0 438.649 3.106 1 0 endogenous,in-man IGAFRN CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1[C@@H]2CC3C[C@H]1CC(c1nn[nH]n1)(C3)C2 ZINC000028882234 581094950 /nfs/dbraw/zinc/09/49/50/581094950.db2.gz SDLVFSDWSGBQTI-QIUQRCORSA-N 0 0 433.915 3.412 1 0 IGAFRN O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccc(F)c12 ZINC000001492561 562922275 /nfs/dbraw/zinc/92/22/75/562922275.db2.gz RACHTHJBHIMJDR-LJQANCHMSA-N 0 0 449.207 3.035 1 0 IGAFRN Cc1cc(=O)n2nc(CSc3nnc(Sc4cc(O)ccc4O)s3)sc2n1 ZINC000001646721 562923675 /nfs/dbraw/zinc/92/36/75/562923675.db2.gz NWPHHSVSOSBNFK-UHFFFAOYSA-N 0 0 437.553 3.166 1 0 IGAFRN CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCc3cccc(C)c3)c21 ZINC000002928155 562930607 /nfs/dbraw/zinc/93/06/07/562930607.db2.gz CKFIUTTXWWAOMX-UHFFFAOYSA-N 0 0 437.359 3.188 1 0 IGAFRN COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccnc1)N(C)C2=O ZINC000003958484 562940049 /nfs/dbraw/zinc/94/00/49/562940049.db2.gz YZHNTCMHCNIXKH-VXKWHMMOSA-N 0 0 432.480 3.351 3 0 IGAFRN CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C ZINC000003959383 562940073 /nfs/dbraw/zinc/94/00/73/562940073.db2.gz TWZLWAYQEBGYCY-GFCCVEGCSA-N 0 0 443.641 3.388 3 0 IGAFRN COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc21 ZINC000004034799 562940943 /nfs/dbraw/zinc/94/09/43/562940943.db2.gz QFWMWBPCPSLZSV-DPSWKAHMSA-N 0 0 447.535 3.390 3 0 IGAFRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)c1 ZINC000004092051 562941663 /nfs/dbraw/zinc/94/16/63/562941663.db2.gz NJGBPKGHWHJMCW-UHFFFAOYSA-N 0 0 448.523 3.089 3 0 IGAFRN O=C(Nc1cccc2nsnc21)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O ZINC000005983623 562945526 /nfs/dbraw/zinc/94/55/26/562945526.db2.gz NYRIXOYDRXFNGO-UHFFFAOYSA-N 0 0 449.926 3.495 3 0 IGAFRN C1CSC(Sc2nc(SC3=NCCS3)nc(SC3=NCCS3)n2)=N1 ZINC000006001878 562945566 /nfs/dbraw/zinc/94/55/66/562945566.db2.gz FGOCRTPTSNKWRK-UHFFFAOYSA-N 0 0 432.672 3.456 1 0 IGAFRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3cccnc3)cc2c1 ZINC000006281521 562946595 /nfs/dbraw/zinc/94/65/95/562946595.db2.gz YXANOUPCQVZBNH-OAQYLSRUSA-N 0 0 445.527 3.012 3 0 IGAFRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc(F)cc1)n2C ZINC000008608017 562957361 /nfs/dbraw/zinc/95/73/61/562957361.db2.gz AWSSOFDCPAOQIF-UHFFFAOYSA-N 0 0 447.536 3.407 1 0 IGAFRN C[NH2+]CC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)CC1 ZINC000009133313 562967741 /nfs/dbraw/zinc/96/77/41/562967741.db2.gz RIFMONDGQOKULF-UHFFFAOYSA-N 0 0 449.910 3.495 1 0 IGAFRN O=C(CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000011844537 562979670 /nfs/dbraw/zinc/97/96/70/562979670.db2.gz BCGWLEQFUPQWAP-JOCHJYFZSA-N 0 0 446.595 3.481 3 0 IGAFRN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000012078092 562980705 /nfs/dbraw/zinc/98/07/05/562980705.db2.gz KLVPHAWVMIHENL-DKFQHHCZSA-N 0 0 428.920 3.332 1 0 IGAFRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150668 562985420 /nfs/dbraw/zinc/98/54/20/562985420.db2.gz GRIJHYHYGPHKFU-IFXJQAMLSA-N 0 0 429.517 3.489 3 0 IGAFRN Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5s4)CC3=O)ccc12 ZINC000013439863 562986162 /nfs/dbraw/zinc/98/61/62/562986162.db2.gz JRPADFUIOHVMNC-UHFFFAOYSA-N 0 0 438.944 3.320 1 0 IGAFRN O=c1ccc(-n2cnc3ccccc32)nn1CCN1CCN(c2ccccc2Cl)CC1 ZINC000013475434 562988852 /nfs/dbraw/zinc/98/88/52/562988852.db2.gz TWUFSDSLHHRPHO-UHFFFAOYSA-N 0 0 434.931 3.058 1 0 IGAFRN CCOC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)CCC(C)C ZINC000013488655 562989711 /nfs/dbraw/zinc/98/97/11/562989711.db2.gz TZMDKHIHZYZUIC-JAXLGGSGSA-N 0 0 440.625 3.333 1 0 IGAFRN O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 ZINC000013560122 562994051 /nfs/dbraw/zinc/99/40/51/562994051.db2.gz ZWLNTIYBKQAWAA-UHFFFAOYSA-N 0 0 434.378 3.281 1 0 IGAFRN Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 ZINC000013570932 562994384 /nfs/dbraw/zinc/99/43/84/562994384.db2.gz LLVSRJMQBQEJSL-SFHVURJKSA-N 0 0 425.460 3.425 3 0 IGAFRN CN(CCc1ccccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013593604 562996534 /nfs/dbraw/zinc/99/65/34/562996534.db2.gz PUMSRLHTCSLMOQ-RUZDIDTESA-N 0 0 442.563 3.140 3 0 IGAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000013729619 563001688 /nfs/dbraw/zinc/00/16/88/563001688.db2.gz WZVMGZKUPMOMNH-FPOVZHCZSA-N 0 0 432.561 3.215 1 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1[C@@H](O)c1nccs1 ZINC000013738811 563002828 /nfs/dbraw/zinc/00/28/28/563002828.db2.gz APRVRUVZWFSCQI-SVFBPWRDSA-N 0 0 427.570 3.181 1 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cncs1 ZINC000013738816 563002896 /nfs/dbraw/zinc/00/28/96/563002896.db2.gz AVZYBGUUMIGDKC-OALUTQOASA-N 0 0 425.554 3.331 1 0 IGAFRN CC[C@@H](C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O ZINC000013744367 563003784 /nfs/dbraw/zinc/00/37/84/563003784.db2.gz YIRKXGOOGNYHGW-GFCCVEGCSA-N 0 0 447.900 3.042 1 0 IGAFRN O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21 ZINC000013745317 563003842 /nfs/dbraw/zinc/00/38/42/563003842.db2.gz DLGWSCNXWHDMHZ-UHFFFAOYSA-N 0 0 426.864 3.225 1 0 IGAFRN COc1cc2cc(CO)c(CO)c(Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000013756798 563004513 /nfs/dbraw/zinc/00/45/13/563004513.db2.gz BEEBPLQQLLJJLJ-UHFFFAOYSA-N 0 0 428.481 3.458 1 0 IGAFRN CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F ZINC000013759852 563004832 /nfs/dbraw/zinc/00/48/32/563004832.db2.gz YHRQSPRSRROVMC-UHFFFAOYSA-N 0 0 429.290 3.011 1 0 in-vivo IGAFRN COc1cccc(CN2C[C@@]34C[C@@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@@H]3S2(=O)=O)O4)c1 ZINC000013830753 563011126 /nfs/dbraw/zinc/01/11/26/563011126.db2.gz ADNNVBDJEBAWRS-BJESRGMDSA-N 0 0 427.522 3.127 1 0 IGAFRN O=C(CC[C@@H]1CCc2cc3c([nH+]c2C1)NCCC3)NC[C@@H](C(=O)[O-])c1ccc2c(c1)OCC2 ZINC000013860641 563012559 /nfs/dbraw/zinc/01/25/59/563012559.db2.gz ZIYZOTDZIZBOGY-HRAATJIYSA-N 0 0 449.551 3.244 1 0 IGAFRN Cc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000015314425 563017737 /nfs/dbraw/zinc/01/77/37/563017737.db2.gz NMLQEDQDZYWDQL-OQOKOFKUSA-N 0 0 446.613 3.351 1 0 IGAFRN COc1cc2nc(N3CCC(C(=O)N(C)Cc4ccccc4)CC3)nc(N)c2cc1OC ZINC000025964153 563027678 /nfs/dbraw/zinc/02/76/78/563027678.db2.gz QFKHLIKSSNGTQO-UHFFFAOYSA-N 0 0 435.528 3.104 1 0 IGAFRN CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 ZINC000026469096 563032075 /nfs/dbraw/zinc/03/20/75/563032075.db2.gz OALIYDQKZULGGT-UHFFFAOYSA-N 0 0 425.577 3.042 1 0 IGAFRN O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCNC(=O)[C@H](Cc2ccc(O)cc2)N1 ZINC000026503639 563032914 /nfs/dbraw/zinc/03/29/14/563032914.db2.gz KULFSNKTGLRJAO-QFIPXVFZSA-N 0 0 446.503 3.223 1 0 IGAFRN CN1CCN(CC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026720876 563035638 /nfs/dbraw/zinc/03/56/38/563035638.db2.gz GZVUFPILWKYDIY-UHFFFAOYSA-N 0 0 439.947 3.310 1 0 IGAFRN C[N@H+](CCCOCCOCCc1ccccc1)CCc1ccc([O-])c2[nH]c(=O)sc21 ZINC000026962879 563038331 /nfs/dbraw/zinc/03/83/31/563038331.db2.gz AEQYZGAQFDSQIR-UHFFFAOYSA-N 0 0 430.570 3.436 1 0 IGAFRN NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccccn2)CC2CC2)c1 ZINC000027198749 563040542 /nfs/dbraw/zinc/04/05/42/563040542.db2.gz JHFBGSMFMSIPCZ-UHFFFAOYSA-N 0 0 445.951 3.013 1 0 IGAFRN O=C(OCc1ccccc1)[C@@H]1CC[C@H]2[C@H]1CC(=O)N2S(=O)(=O)/C=C/c1ccccc1 ZINC000027518108 563042589 /nfs/dbraw/zinc/04/25/89/563042589.db2.gz MJZSGIMAFAFHOR-XOULLUGXSA-N 0 0 425.506 3.358 1 0 IGAFRN O=C1C[C@@]2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(I)cc1 ZINC000027521569 563042728 /nfs/dbraw/zinc/04/27/28/563042728.db2.gz KPZHFXOQELUYNP-SFHVURJKSA-N 0 0 432.217 3.029 1 0 IGAFRN CCOc1cc(NC=O)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000027705080 563045458 /nfs/dbraw/zinc/04/54/58/563045458.db2.gz SHDXTHUDHKXGDP-KRWDZBQOSA-N 0 0 449.910 3.077 1 0 IGAFRN O=C(Nc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028012242 563049673 /nfs/dbraw/zinc/04/96/73/563049673.db2.gz MZNHDUYXFFIZHG-HSZRJFAPSA-N 0 0 449.942 3.406 1 0 IGAFRN CC(=O)N1CCn2cc(C3=C(c4cccc5ccoc54)C(=O)NC3=O)c3cccc(c32)C1 ZINC000028122399 563051144 /nfs/dbraw/zinc/05/11/44/563051144.db2.gz FQGBFYNAGSGZFG-UHFFFAOYSA-N 0 0 425.444 3.317 1 0 IGAFRN COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)Nc3ccccc3)C1)N2 ZINC000028529835 563057380 /nfs/dbraw/zinc/05/73/80/563057380.db2.gz JNNLXBXGFGCWEI-QHCPKHFHSA-N 0 0 433.468 3.482 1 0 IGAFRN COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)Nc3ccccc3)C1)N2 ZINC000028529837 563057391 /nfs/dbraw/zinc/05/73/91/563057391.db2.gz JNNLXBXGFGCWEI-HSZRJFAPSA-N 0 0 433.468 3.482 1 0 IGAFRN CCOC(=O)CN1C(=O)N(CCCc2c[nH]cn2)C(=O)[C@@]1(C)c1cccc2ccccc21 ZINC000028571980 563059483 /nfs/dbraw/zinc/05/94/83/563059483.db2.gz QHMLQIYABICDHY-XMMPIXPASA-N 0 0 434.496 3.238 1 0 IGAFRN CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(OC)c(Cl)c3)c2C1=O ZINC000028758562 563063474 /nfs/dbraw/zinc/06/34/74/563063474.db2.gz QLOIWJUEFNGWMC-CABCVRRESA-N 0 0 429.908 3.175 1 0 IGAFRN CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)c1ccccc1 ZINC000028822767 563065754 /nfs/dbraw/zinc/06/57/54/563065754.db2.gz NGHIMGBPEPCNOT-UHFFFAOYSA-N 0 0 441.491 3.441 1 0 IGAFRN O=C(NCCNC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1 ZINC000028822823 563065781 /nfs/dbraw/zinc/06/57/81/563065781.db2.gz LLSUNCCQDYHQGL-UHFFFAOYSA-N 0 0 434.883 3.132 1 0 IGAFRN CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c21 ZINC000028954151 563070022 /nfs/dbraw/zinc/07/00/22/563070022.db2.gz MVGABTCTHPSFLI-UHFFFAOYSA-N 0 0 434.223 3.044 1 0 IGAFRN CCOC(=O)c1cn2ncnc(N(C)c3cc(C(=O)NOC)ccc3C)c2c1C(C)C ZINC000028966282 563070986 /nfs/dbraw/zinc/07/09/86/563070986.db2.gz HWPGVHPRLOVOPS-UHFFFAOYSA-N 0 0 425.489 3.397 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cc(F)ccc2F)O1 ZINC000028974542 563071447 /nfs/dbraw/zinc/07/14/47/563071447.db2.gz XHVBOPHNTXLXJC-MMEWPQADSA-N 0 0 425.332 3.032 1 0 IGAFRN CC(C)Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O ZINC000029055772 563073403 /nfs/dbraw/zinc/07/34/03/563073403.db2.gz SSDNDHADKQNKGD-UHFFFAOYSA-N 0 0 446.433 3.010 1 0 IGAFRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)[O-] ZINC000029126385 563074641 /nfs/dbraw/zinc/07/46/41/563074641.db2.gz OJPHTSOMTCBSRQ-MBEBEXRASA-N 0 0 438.568 3.440 1 0 IGAFRN COc1ccc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000029129375 563075404 /nfs/dbraw/zinc/07/54/04/563075404.db2.gz HHLUAUWJQNAVGJ-SFHVURJKSA-N 0 0 440.924 3.347 1 0 IGAFRN COc1cc2nc(N3CCC(C(=O)N4[C@H](C)CCC[C@@H]4C)CC3)nc(N)c2cc1OC ZINC000029222578 563076828 /nfs/dbraw/zinc/07/68/28/563076828.db2.gz BNELLZJFEBVBPQ-GASCZTMLSA-N 0 0 427.549 3.235 1 0 IGAFRN C=Cc1ccc(-c2ccc(OC[C@H](CN3C(=O)N(C)C(C)(C)C3=O)N(O)C=O)cc2)cc1 ZINC000029332197 563078165 /nfs/dbraw/zinc/07/81/65/563078165.db2.gz XCGVYWMKRYFDJR-FQEVSTJZSA-N 0 0 437.496 3.264 1 0 IGAFRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1c[nH]cn1 ZINC000029566116 563082616 /nfs/dbraw/zinc/08/26/16/563082616.db2.gz CJQBVEGZKWGXGA-QFIPXVFZSA-N 0 0 431.496 3.087 1 0 IGAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OCC3CC3)cc2)C1 ZINC000034642629 563086823 /nfs/dbraw/zinc/08/68/23/563086823.db2.gz VVPZUPBIKZMPHD-JOCHJYFZSA-N 0 0 436.487 3.348 1 0 IGAFRN Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ncco4)nc4ccccc43)CC2)cc1 ZINC000036382621 563094013 /nfs/dbraw/zinc/09/40/13/563094013.db2.gz CVRORGFSKCPVBB-UHFFFAOYSA-N 0 0 435.509 3.104 1 0 IGAFRN O=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2F)CC1 ZINC000036382828 563094137 /nfs/dbraw/zinc/09/41/37/563094137.db2.gz VKPNBQLSTNGFJP-UHFFFAOYSA-N 0 0 432.455 3.076 1 0 IGAFRN CC[C@@H](C)Sc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386548 563094565 /nfs/dbraw/zinc/09/45/65/563094565.db2.gz XMVTWGBJLNVVPK-GBQLLMJQSA-N 0 0 432.586 3.410 3 0 IGAFRN C[C@@]12C(=O)N(C[C@@H]3CCCO3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389046 563094956 /nfs/dbraw/zinc/09/49/56/563094956.db2.gz HZRVIHWEIRSQNK-SCLKNYADSA-N 0 0 432.520 3.142 3 0 IGAFRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000040379165 563099416 /nfs/dbraw/zinc/09/94/16/563099416.db2.gz UEWSERZNSLLZCB-LBPRGKRZSA-N 0 0 430.452 3.254 1 0 IGAFRN COc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 ZINC000040393533 563100185 /nfs/dbraw/zinc/10/01/85/563100185.db2.gz KLKNKPQIJSXRNP-UHFFFAOYSA-N 0 0 436.447 3.340 1 0 IGAFRN CC(=O)O[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000040406062 563101222 /nfs/dbraw/zinc/10/12/22/563101222.db2.gz ZUBIUNJBNWZMTO-BJKOFHAPSA-N 0 0 430.504 3.276 1 0 IGAFRN COC(=O)C(/C(=C\c1ccccc1)C(=O)Nn1cnnc1)=C(/C)c1cc(OC)cc(OC)c1 ZINC000040405640 563101227 /nfs/dbraw/zinc/10/12/27/563101227.db2.gz UYUBOGUQUHNVFF-LMGCRRTCSA-N 0 0 448.479 3.096 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3cn(C)c4ccccc34)C(=O)O2)cc1 ZINC000040407522 563101467 /nfs/dbraw/zinc/10/14/67/563101467.db2.gz OTCSXQIUVAXJNR-ZICVCWAASA-N 0 0 434.492 3.163 1 0 IGAFRN CC(=O)CCCCC[C@H](NC(=O)CN1CCN(C)CC1)c1nc(-c2ccccc2)c[nH]1 ZINC000040422262 563102372 /nfs/dbraw/zinc/10/23/72/563102372.db2.gz DVRMJBBYHFIUML-NRFANRHFSA-N 0 0 425.577 3.021 1 0 IGAFRN CCCC[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)N1CCC(C(N)=O)CC1 ZINC000040862526 563108343 /nfs/dbraw/zinc/10/83/43/563108343.db2.gz LEJXHIIPDYQNIM-IBGZPJMESA-N 0 0 444.601 3.352 1 0 IGAFRN CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000040952259 563114084 /nfs/dbraw/zinc/11/40/84/563114084.db2.gz LRIXMTVCKAOMMS-INIZCTEOSA-N 0 0 436.839 3.417 1 0 IGAFRN O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2ccccc12 ZINC000043017212 563116945 /nfs/dbraw/zinc/11/69/45/563116945.db2.gz KFTIJAFAVAYLNK-UHFFFAOYSA-N 0 0 436.475 3.303 1 0 IGAFRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000043072851 563118146 /nfs/dbraw/zinc/11/81/46/563118146.db2.gz CJQQPTGISRZFIO-MRXNPFEDSA-N 0 0 427.551 3.345 1 0 IGAFRN O=C(NC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(-n3cncn3)cc21)c1ccc(F)cc1 ZINC000045258574 563127492 /nfs/dbraw/zinc/12/74/92/563127492.db2.gz WOAVNQWAOKKNOV-SFHVURJKSA-N 0 0 435.337 3.156 1 0 IGAFRN CCCCCc1ccc(-c2cc3cn([C@@H]4O[C@H](CO)[C@@H](O)C4(F)F)c(=O)nc3o2)cc1 ZINC000045317335 563129995 /nfs/dbraw/zinc/12/99/95/563129995.db2.gz RKFINRWMSNTYRX-QWFCFKBJSA-N 0 0 434.439 3.275 1 0 IGAFRN COCCN1C(=S)N=NC1c1cnc2c(cccc2C(F)(F)F)c1N1CCOCC1 ZINC000045320720 563130185 /nfs/dbraw/zinc/13/01/85/563130185.db2.gz KYBNQXTWLHKDTI-UHFFFAOYSA-N 0 0 439.463 3.284 1 0 IGAFRN O=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 ZINC000045320415 563130191 /nfs/dbraw/zinc/13/01/91/563130191.db2.gz POARIJJCCJDSKV-HNNXBMFYSA-N 0 0 435.517 3.137 1 0 IGAFRN CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(C(=O)OCC)CC1 ZINC000045365724 563133069 /nfs/dbraw/zinc/13/30/69/563133069.db2.gz SAIFICJIWMDAQI-MRXNPFEDSA-N 0 0 446.523 3.326 1 0 IGAFRN COc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccccc3)CC2)CC2CC2)cc1 ZINC000045369100 563133331 /nfs/dbraw/zinc/13/33/31/563133331.db2.gz KCQYIQQSKRODHM-UHFFFAOYSA-N 0 0 443.613 3.308 1 0 IGAFRN COc1cccc([C@@]2(O)c3ccccc3Oc3cc(C(=O)N4CCN(C)CC4)ccc32)c1 ZINC000045385886 563133839 /nfs/dbraw/zinc/13/38/39/563133839.db2.gz OMHRGBNLERTVTJ-AREMUKBSSA-N 0 0 430.504 3.473 1 0 IGAFRN O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc4O3)CC2)nn1 ZINC000045389123 563133988 /nfs/dbraw/zinc/13/39/88/563133988.db2.gz JROGONHUURMXMQ-QFIPXVFZSA-N 0 0 442.519 3.385 1 0 IGAFRN COCCOCOCCCCCCC/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O ZINC000045391720 563134090 /nfs/dbraw/zinc/13/40/90/563134090.db2.gz DHHYVZCGNYNTMM-YRXHENJZSA-N 0 0 444.565 3.158 1 0 IGAFRN Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CNC(=O)N3)CC2)nc1 ZINC000045495037 563134341 /nfs/dbraw/zinc/13/43/41/563134341.db2.gz PCLVYCVVWYEUSB-UHFFFAOYSA-N 0 0 448.552 3.296 1 0 IGAFRN Cc1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 ZINC000049033132 563135964 /nfs/dbraw/zinc/13/59/64/563135964.db2.gz VLPDMKHOWRSZAI-ROUUACIJSA-N 0 0 442.516 3.012 1 0 IGAFRN COc1ccc(COc2ncc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 ZINC000049054956 563137144 /nfs/dbraw/zinc/13/71/44/563137144.db2.gz IRGAXRVNBKCWJU-UHFFFAOYSA-N 0 0 448.483 3.030 1 0 IGAFRN CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1F ZINC000058487517 563143620 /nfs/dbraw/zinc/14/36/20/563143620.db2.gz NYHCZXKEQVHUAS-UHFFFAOYSA-N 0 0 430.524 3.454 1 0 IGAFRN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1 ZINC000059545797 563146657 /nfs/dbraw/zinc/14/66/57/563146657.db2.gz BLXGJORAPNIJTJ-SZEUEKNRSA-N 0 0 446.573 3.117 1 0 IGAFRN CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccc3cccnc32)on1 ZINC000061895713 563147178 /nfs/dbraw/zinc/14/71/78/563147178.db2.gz NSMBPLIKLKBHKF-QGZVFWFLSA-N 0 0 428.514 3.279 3 0 IGAFRN COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923388 563149547 /nfs/dbraw/zinc/14/95/47/563149547.db2.gz UOKVGZMMNJBBJI-IBGZPJMESA-N 0 0 441.572 3.245 3 0 IGAFRN O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 ZINC000061929743 563150487 /nfs/dbraw/zinc/15/04/87/563150487.db2.gz QLFBGOSCCLDJJZ-KRWDZBQOSA-N 0 0 443.500 3.312 3 0 IGAFRN CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958793 563151918 /nfs/dbraw/zinc/15/19/18/563151918.db2.gz OPQMSYQMOPLNGB-QGZVFWFLSA-N 0 0 428.869 3.253 3 0 IGAFRN CSc1nc(C)cc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)n1 ZINC000064527595 563154580 /nfs/dbraw/zinc/15/45/80/563154580.db2.gz QGSXAJBDTYUXEY-UHFFFAOYSA-N 0 0 440.400 3.366 1 0 IGAFRN CC(C)n1cnc(Nc2nc(N3CCN(C(=O)Cc4ccccc4)CC3)nn3cccc23)c1 ZINC000066066346 563157097 /nfs/dbraw/zinc/15/70/97/563157097.db2.gz JBGHJFSFWWBYMZ-UHFFFAOYSA-N 0 0 444.543 3.142 1 0 IGAFRN CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)[C@H](O)CCS4)c(N)cc2c1=O ZINC000066111720 563158924 /nfs/dbraw/zinc/15/89/24/563158924.db2.gz ZVFXXWXJTMADKR-HXUWFJFHSA-N 0 0 441.553 3.057 1 0 IGAFRN c1ccc(Nc2ncnc3c2nc2n3Cc3ccccc3N2CCN2CCOCC2)cc1 ZINC000066165953 563159677 /nfs/dbraw/zinc/15/96/77/563159677.db2.gz YVZKUZMXQHUAMJ-UHFFFAOYSA-N 0 0 427.512 3.402 1 0 IGAFRN CC(C)(C)NS(=O)(=O)c1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1 ZINC000072139532 563164393 /nfs/dbraw/zinc/16/43/93/563164393.db2.gz ZQFBSBNUYJGTKX-UHFFFAOYSA-N 0 0 429.527 3.125 1 0 IGAFRN COc1ccccc1C(=O)c1cnc(N[C@H]2CCN(C(=O)Nc3ccccc3)C2)nc1N ZINC000072176955 563165779 /nfs/dbraw/zinc/16/57/79/563165779.db2.gz UZLMGYNYOPOSLP-INIZCTEOSA-N 0 0 432.484 3.017 1 0 IGAFRN CCOC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000072178470 563166270 /nfs/dbraw/zinc/16/62/70/563166270.db2.gz DEMKBTKLLMTAAU-GOSISDBHSA-N 0 0 429.498 3.051 1 0 IGAFRN O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000072180309 563166877 /nfs/dbraw/zinc/16/68/77/563166877.db2.gz KUONYQIPPHYTPH-KRWDZBQOSA-N 0 0 425.407 3.063 1 0 IGAFRN CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3n[nH]c(OCC)c3c2)c1F ZINC000072180266 563166878 /nfs/dbraw/zinc/16/68/78/563166878.db2.gz VOGQWECSORTWQP-UHFFFAOYSA-N 0 0 439.444 3.039 1 0 IGAFRN COc1ccc(-n2nnnc2[C@H](C2CC2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000073417851 563172901 /nfs/dbraw/zinc/17/29/01/563172901.db2.gz SULSWVACLAPEIX-QFIPXVFZSA-N 0 0 445.527 3.102 3 0 IGAFRN CCOC[C@@H](C)O[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC ZINC000084687982 563175979 /nfs/dbraw/zinc/17/59/79/563175979.db2.gz JBRBGECQOJHACP-XQLUGIRFSA-N 0 0 436.508 3.321 1 0 IGAFRN COc1cc([C@@H]2SCC(=O)N2NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O ZINC000084689446 563176233 /nfs/dbraw/zinc/17/62/33/563176233.db2.gz NQBGMMCRYLLKKS-FQEVSTJZSA-N 0 0 444.900 3.363 1 0 IGAFRN COc1ccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc32)cc1 ZINC000084704816 563176727 /nfs/dbraw/zinc/17/67/27/563176727.db2.gz XHCCJRYYZDPKQJ-UHFFFAOYSA-N 0 0 435.484 3.012 1 0 IGAFRN CCOc1ccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc32)cc1 ZINC000084710301 563177344 /nfs/dbraw/zinc/17/73/44/563177344.db2.gz IVYMBPMGUJIIIK-UHFFFAOYSA-N 0 0 449.511 3.402 1 0 IGAFRN O=C(Nc1nnc(-c2cncs2)s1)[C@H](Cc1ccccc1)NCc1cscn1 ZINC000095557469 563181672 /nfs/dbraw/zinc/18/16/72/563181672.db2.gz JOSQCIRAOBHESO-AWEZNQCLSA-N 0 0 428.568 3.458 1 0 IGAFRN CC(C)C[C@H]1COc2cccc(N3CCN(Cc4ccccc4F)CC3)c2S(=O)(=O)N1 ZINC000095566524 563183596 /nfs/dbraw/zinc/18/35/96/563183596.db2.gz VXNHKHXAWIGZIR-IBGZPJMESA-N 0 0 447.576 3.233 3 0 IGAFRN COC(=O)c1c(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c2cccnc2n1-c1ccccc1 ZINC000095575451 563185696 /nfs/dbraw/zinc/18/56/96/563185696.db2.gz OVPBCQKZGLINME-UHFFFAOYSA-N 0 0 448.500 3.167 1 0 IGAFRN COc1nc(N)ncc1-c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2F)c1 ZINC000095578308 563186605 /nfs/dbraw/zinc/18/66/05/563186605.db2.gz OPIOWYFBJZWXNE-UHFFFAOYSA-N 0 0 426.832 3.467 1 0 IGAFRN Cc1cc(-c2ccc(-c3nn[nH]n3)cc2)c(OCCO)c(-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000095583337 563188229 /nfs/dbraw/zinc/18/82/29/563188229.db2.gz CIGFGSRIBWJNFN-UHFFFAOYSA-N 0 0 440.467 3.060 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597293 563191800 /nfs/dbraw/zinc/19/18/00/563191800.db2.gz QCJXDDFKQKWSRI-UUOWRZLLSA-N 0 0 445.487 3.247 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597898 563191973 /nfs/dbraw/zinc/19/19/73/563191973.db2.gz OLSAKKGEDBWFLQ-HOYKHHGWSA-N 0 0 443.496 3.074 1 0 IGAFRN COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2Cc2ccccc2)cc1OC ZINC000095600827 563192669 /nfs/dbraw/zinc/19/26/69/563192669.db2.gz AJRZZUXPGWOPID-QHCPKHFHSA-N 0 0 441.491 3.484 3 0 IGAFRN O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccccc1 ZINC000095601964 563192977 /nfs/dbraw/zinc/19/29/77/563192977.db2.gz KWVRLTIBXBRNFP-QFIPXVFZSA-N 0 0 425.448 3.179 3 0 IGAFRN O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccccc1 ZINC000095601965 563193000 /nfs/dbraw/zinc/19/30/00/563193000.db2.gz KWVRLTIBXBRNFP-JOCHJYFZSA-N 0 0 425.448 3.179 3 0 IGAFRN O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 ZINC000004239004 132271191 /nfs/dbraw/zinc/27/11/91/132271191.db2.gz MSDNUQVWILPQAW-UHFFFAOYSA-N 0 0 449.461 3.211 1 0 IGAFRN COc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5c(C)c(C)sc5nc34)CC2)c1 ZINC000004767697 132273807 /nfs/dbraw/zinc/27/38/07/132273807.db2.gz DMDJFBUKTQRTRT-UHFFFAOYSA-N 0 0 448.548 3.497 3 0 IGAFRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000008588869 132283440 /nfs/dbraw/zinc/28/34/40/132283440.db2.gz QFFLEGJXKWLOLA-UHFFFAOYSA-N 0 0 449.942 3.350 1 0 IGAFRN Cc1cc2sc(N3CCC[C@H](C(=O)N4CCN(c5ncccn5)CC4)C3)nc2c(C)c1 ZINC000008671866 132289901 /nfs/dbraw/zinc/28/99/01/132289901.db2.gz NQVXHWYUWWTGOD-SFHVURJKSA-N 0 0 436.585 3.268 3 0 IGAFRN C/C(=C(\CCO)SCCC(=O)c1ccc(C)cc1)N(C=O)Cc1cnc(C)nc1N ZINC000001756088 560184733 /nfs/dbraw/zinc/18/47/33/560184733.db2.gz PSFMECZYSPXRNW-PGMHBOJBSA-N 0 0 428.558 3.254 1 0 in-vitro IGAFRN COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2c(c(F)c(F)c(F)c2F)C1=O ZINC000000601776 562918565 /nfs/dbraw/zinc/91/85/65/562918565.db2.gz AQCHRLTWCAURNI-SECBINFHSA-N 0 0 441.333 3.161 1 0 IGAFRN COC(=O)[C@H](Cc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000001861340 562925091 /nfs/dbraw/zinc/92/50/91/562925091.db2.gz WWSDPLYIMKUEOL-OAHLLOKOSA-N 0 0 428.266 3.476 1 0 IGAFRN COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2C(F)(F)F)ccc1=O ZINC000003826075 562938903 /nfs/dbraw/zinc/93/89/03/562938903.db2.gz KLUVCLVZGZNHBB-HNNXBMFYSA-N 0 0 436.386 3.203 1 0 IGAFRN O=C(CNC(=O)c1ccco1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000004411604 562943296 /nfs/dbraw/zinc/94/32/96/562943296.db2.gz TWMRRLWGXPDAJN-HSZRJFAPSA-N 0 0 449.507 3.431 3 0 IGAFRN O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006577868 562947888 /nfs/dbraw/zinc/94/78/88/562947888.db2.gz AHVBUXOSCUORFG-UHFFFAOYSA-N 0 0 446.960 3.372 3 0 aggregator IGAFRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCC[C@@H](C)C3)cc2c1 ZINC000008034322 562949018 /nfs/dbraw/zinc/94/90/18/562949018.db2.gz LZHNMKDOHFOONY-OPAMFIHVSA-N 0 0 448.527 3.376 3 0 IGAFRN COc1cc(OC)c(NC(=O)Cn2ncn3c(cc4cc(C)ccc43)c2=O)cc1Cl ZINC000008605156 562956619 /nfs/dbraw/zinc/95/66/19/562956619.db2.gz GIYYGXLJLQVLBW-UHFFFAOYSA-N 0 0 426.860 3.267 1 0 IGAFRN Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccccc3)C(C)C)CC2)cc1 ZINC000008680217 562961490 /nfs/dbraw/zinc/96/14/90/562961490.db2.gz UTIBYNUQEKAUDI-QHCPKHFHSA-N 0 0 444.597 3.459 3 0 IGAFRN O=C(c1ccc(CNc2c(=O)c(=O)c2N2CCCC2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000008913681 562965966 /nfs/dbraw/zinc/96/59/66/562965966.db2.gz LEUYZVSYQNJIQX-UHFFFAOYSA-N 0 0 441.531 3.424 3 0 IGAFRN CC[C@H]1CN(CCNC(=O)c2cccc(N3CCCC3=O)c2)Cc2cc(OC)ccc2O1 ZINC000011788816 562979255 /nfs/dbraw/zinc/97/92/55/562979255.db2.gz MDCRVYNAVPMZMZ-NRFANRHFSA-N 0 0 437.540 3.225 1 0 IGAFRN CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCCC3CCCC3)c2)CC1 ZINC000011999812 562980291 /nfs/dbraw/zinc/98/02/91/562980291.db2.gz PXBPBHNMHONSCG-UHFFFAOYSA-N 0 0 437.606 3.036 3 0 IGAFRN COc1ccc(N(C(=O)[C@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086265 562984342 /nfs/dbraw/zinc/98/43/42/562984342.db2.gz DOERKPMWBFUAPN-UZLBHIALSA-N 0 0 441.553 3.359 3 0 IGAFRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)c1 ZINC000013150910 562985421 /nfs/dbraw/zinc/98/54/21/562985421.db2.gz RITONSGRSUVQHJ-UHFFFAOYSA-N 0 0 434.496 3.047 3 0 IGAFRN COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn32)cc1 ZINC000013494001 562990964 /nfs/dbraw/zinc/99/09/64/562990964.db2.gz BUPXLNFYXPSBGC-UHFFFAOYSA-N 0 0 449.496 3.183 1 0 IGAFRN CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000013584483 562994985 /nfs/dbraw/zinc/99/49/85/562994985.db2.gz PODGMXBKKUXOJB-UHFFFAOYSA-N 0 0 431.602 3.227 1 0 IGAFRN COc1cc2c([nH]c(-c3cccs3)nc2=NN2C(=O)C=C(C)C2=O)c(OC)c1OC ZINC000013587552 562995732 /nfs/dbraw/zinc/99/57/32/562995732.db2.gz XSAGYYKLKUTZGF-UHFFFAOYSA-N 0 0 426.454 3.026 1 0 IGAFRN COC(=O)c1ccccc1NC(=O)CN1CCC(N2c3ccc(C)cc3COC2=O)CC1 ZINC000013612769 562998104 /nfs/dbraw/zinc/99/81/04/562998104.db2.gz ZMUMCGCHCZBZEU-UHFFFAOYSA-N 0 0 437.496 3.341 1 0 IGAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000013657130 562999444 /nfs/dbraw/zinc/99/94/44/562999444.db2.gz SMGGCGRBKDJWAW-RDJZCZTQSA-N 0 0 428.533 3.387 3 0 IGAFRN COc1cc(O)c([C@H](CCN2CCOCC2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000013661560 562999678 /nfs/dbraw/zinc/99/96/78/562999678.db2.gz SKXGODFDNFSAJF-GOSISDBHSA-N 0 0 447.528 3.289 3 0 IGAFRN CCCCn1c(Cc2cc(OC)ccc2I)nc2c1ncnc2N ZINC000013679901 563000869 /nfs/dbraw/zinc/00/08/69/563000869.db2.gz CSSBEHMUMWBFOC-UHFFFAOYSA-N 0 0 437.285 3.413 1 0 IGAFRN COc1cc2c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)cn(C(=O)N(C)C)c2cc1OC ZINC000013737542 563002586 /nfs/dbraw/zinc/00/25/86/563002586.db2.gz LDEOMUXXMIHGCM-KKSFZXQISA-N 0 0 440.525 3.170 1 0 IGAFRN COC(=O)N[C@@H](CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 ZINC000013745803 563003937 /nfs/dbraw/zinc/00/39/37/563003937.db2.gz RZHINVKNFFUZOI-FQEVSTJZSA-N 0 0 435.528 3.466 1 0 IGAFRN CCOC(=O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)c2c(c1OC(C)C)CCCC2 ZINC000013861954 563012852 /nfs/dbraw/zinc/01/28/52/563012852.db2.gz OPUDRWIUDPULFE-FQEVSTJZSA-N 0 0 440.544 3.456 1 0 IGAFRN Cc1ccc(S(=O)(=O)N2C(=O)[C@@H](Cc3ccccc3)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000013862671 563013076 /nfs/dbraw/zinc/01/30/76/563013076.db2.gz XQYOMIATGPFTFU-GOTSBHOMSA-N 0 0 449.528 3.497 1 0 IGAFRN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC[C@H]2CC[NH2+]C2)ccc2c1CCCC2 ZINC000014964520 563016277 /nfs/dbraw/zinc/01/62/77/563016277.db2.gz PIJOZYSVYHUJFP-HNNXBMFYSA-N 0 0 429.542 3.086 1 0 IGAFRN COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 ZINC000022930597 563026331 /nfs/dbraw/zinc/02/63/31/563026331.db2.gz WZOMJNATDSYQHS-ZPWQMVEJSA-N 0 0 449.551 3.146 1 0 IGAFRN CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CC(=O)c1ccccc1 ZINC000026655325 563034808 /nfs/dbraw/zinc/03/48/08/563034808.db2.gz XNBZPUTXDSDWAO-QGZVFWFLSA-N 0 0 443.308 3.182 1 0 IGAFRN CN(C)c1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000027649955 563045186 /nfs/dbraw/zinc/04/51/86/563045186.db2.gz CYPDGFVVZVUJNE-UHFFFAOYSA-N 0 0 435.479 3.407 1 0 IGAFRN CCOc1cc(NC=O)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000027705075 563045408 /nfs/dbraw/zinc/04/54/08/563045408.db2.gz SHDXTHUDHKXGDP-QGZVFWFLSA-N 0 0 449.910 3.077 1 0 IGAFRN COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nc(N)c2cc1OC ZINC000028458956 563054921 /nfs/dbraw/zinc/05/49/21/563054921.db2.gz TVFFFXASGIMNCD-UHFFFAOYSA-N 0 0 449.555 3.489 1 0 IGAFRN O=c1ccn([C@@H]2C=C[C@H](COP(=O)(Oc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]1 ZINC000028528785 563057258 /nfs/dbraw/zinc/05/72/58/563057258.db2.gz WTBYVSFHNKXXGR-QUCCMNQESA-N 0 0 442.364 3.273 1 0 IGAFRN CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@@H]3CCCO3)cc2)cc1 ZINC000028572073 563059459 /nfs/dbraw/zinc/05/94/59/563059459.db2.gz QCUNVZVJTXUAPQ-SFHVURJKSA-N 0 0 439.541 3.175 1 0 IGAFRN O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1)C1CC1 ZINC000028949353 563069367 /nfs/dbraw/zinc/06/93/67/563069367.db2.gz WBBIAZIXYMTHJC-INIZCTEOSA-N 0 0 433.468 3.072 1 0 IGAFRN CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 ZINC000028951833 563069712 /nfs/dbraw/zinc/06/97/12/563069712.db2.gz GXFMUXGPPXGMTM-UHFFFAOYSA-N 0 0 447.423 3.084 1 0 IGAFRN CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@H]3C[C@H](C4=CCOC4=O)O[C@]3(C)CC[C@H]12 ZINC000028955966 563070239 /nfs/dbraw/zinc/07/02/39/563070239.db2.gz GWGVFGBCUMIJFX-VDJOULASSA-N 0 0 434.529 3.345 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2c(F)cccc2F)O1 ZINC000028974574 563071439 /nfs/dbraw/zinc/07/14/39/563071439.db2.gz ZVUOMJLSRAHNAK-MUWSIPGASA-N 0 0 425.332 3.032 1 0 IGAFRN CCCCn1c(=O)[nH]c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2c1=O ZINC000029037290 563071620 /nfs/dbraw/zinc/07/16/20/563071620.db2.gz WHFPIHBGEYJNRV-UHFFFAOYSA-N 0 0 432.406 3.144 1 0 IGAFRN O=C(Cc1cccc(Br)c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc21 ZINC000029041395 563072084 /nfs/dbraw/zinc/07/20/84/563072084.db2.gz XKDKTKPNGXUGSV-UHFFFAOYSA-N 0 0 449.330 3.047 1 0 IGAFRN CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(CCc2ccsc2)nn1 ZINC000029044334 563072431 /nfs/dbraw/zinc/07/24/31/563072431.db2.gz ATEJAIMVMAIRCD-ICSRJNTNSA-N 0 0 442.566 3.402 1 0 IGAFRN Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)cc(Br)c1O ZINC000029056713 563073535 /nfs/dbraw/zinc/07/35/35/563073535.db2.gz AYJZGZZDRNHTDA-UHFFFAOYSA-N 0 0 444.289 3.214 1 0 IGAFRN CCS(=O)(=O)N1CCN(CCCCCCNc2cc(OC)cc3c(C)ccnc23)CC1 ZINC000029569428 563082958 /nfs/dbraw/zinc/08/29/58/563082958.db2.gz OYXICQJXPKBUAF-UHFFFAOYSA-N 0 0 448.633 3.491 1 0 IGAFRN Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@@H]1CC[C@H](n3cnc4c3ncnc4N)O1)O2 ZINC000032017115 563084006 /nfs/dbraw/zinc/08/40/06/563084006.db2.gz KUVGHHLFOMVIIJ-GPFSCIFPSA-N 0 0 431.389 3.437 1 0 IGAFRN COc1ccc([C@@H](O)CO[C@]2(c3ccccc3)c3ccccc3C(=O)N2CCCO)cc1 ZINC000035064386 563089088 /nfs/dbraw/zinc/08/90/88/563089088.db2.gz ZNAMHLZEYQNLAS-AZGAKELHSA-N 0 0 433.504 3.485 1 0 IGAFRN O=C(NC1CCN(Cc2ccc3oc(=O)[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000036351872 563093357 /nfs/dbraw/zinc/09/33/57/563093357.db2.gz XUBSUXYAIPDFRU-UHFFFAOYSA-N 0 0 437.427 3.173 1 0 IGAFRN Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)s1 ZINC000036403407 563095149 /nfs/dbraw/zinc/09/51/49/563095149.db2.gz ZINARMLOUXQARO-UHFFFAOYSA-N 0 0 444.586 3.042 1 0 IGAFRN COc1cc([C@@]2(C)C3=C(COC3=O)N(C)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000040409220 563101649 /nfs/dbraw/zinc/10/16/49/563101649.db2.gz WFRBCBDUIQHRNC-HSZRJFAPSA-N 0 0 425.437 3.008 1 0 IGAFRN NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(F)c1F ZINC000040422048 563102298 /nfs/dbraw/zinc/10/22/98/563102298.db2.gz ZHJQXACQJBMYAH-UHFFFAOYSA-N 0 0 440.454 3.046 1 0 IGAFRN CCCCCOC(=O)CC[C@H](NC(=O)c1nccc(OC)c1O)C(=O)OCCCCC ZINC000040565733 563104881 /nfs/dbraw/zinc/10/48/81/563104881.db2.gz HHJNVRGETVTDBT-INIZCTEOSA-N 0 0 438.521 3.141 1 0 IGAFRN COc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1 ZINC000040575860 563105305 /nfs/dbraw/zinc/10/53/05/563105305.db2.gz GWIJZIIWCABAJC-UHFFFAOYSA-N 0 0 444.534 3.247 1 0 IGAFRN CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@H](O)COc1ccccc1OC ZINC000040763370 563106420 /nfs/dbraw/zinc/10/64/20/563106420.db2.gz GWPHMGZIJLZJPK-KRWDZBQOSA-N 0 0 426.469 3.184 1 0 IGAFRN O=C(Nc1cccc(OCCCN2CCOCC2)c1)[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000040862508 563108314 /nfs/dbraw/zinc/10/83/14/563108314.db2.gz CQJKTTABBXYZAT-HPIWNNMISA-N 0 0 428.573 3.304 1 0 IGAFRN COC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCC(OC)OC ZINC000040894346 563110203 /nfs/dbraw/zinc/11/02/03/563110203.db2.gz LBRLJTULDWYGEK-UHFFFAOYSA-N 0 0 441.509 3.175 1 0 IGAFRN CCN(CC)c1nc(N2CCN(C(=O)c3ccco3)CC2)nc2cc(OC)c(OC)cc21 ZINC000040916740 563111436 /nfs/dbraw/zinc/11/14/36/563111436.db2.gz MNUQKQWVPVQHQV-UHFFFAOYSA-N 0 0 439.516 3.049 1 0 IGAFRN CN(CCN(C)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(C(F)(F)F)cn1 ZINC000040936675 563112864 /nfs/dbraw/zinc/11/28/64/563112864.db2.gz TXLTUHDWULHKNP-AUUYWEPGSA-N 0 0 447.523 3.194 1 0 IGAFRN COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1O[C@@H]1CCOC1 ZINC000043120060 563118770 /nfs/dbraw/zinc/11/87/70/563118770.db2.gz KQYOTSLVCDQZMU-OAHLLOKOSA-N 0 0 438.509 3.488 3 0 IGAFRN CCOc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 ZINC000043197846 563119360 /nfs/dbraw/zinc/11/93/60/563119360.db2.gz XMCPIPQYJNILQA-UHFFFAOYSA-N 0 0 438.507 3.070 1 0 IGAFRN O=C1N[C@H](c2ccccc2)C2(CC[NH+](C[C@@H](O)COc3cccc4ncccc43)CC2)O1 ZINC000045193730 563124047 /nfs/dbraw/zinc/12/40/47/563124047.db2.gz LHRKAYAQNMWYGP-AUSIDOKSSA-N 0 0 433.508 3.290 1 0 IGAFRN CCNC(=O)Nc1cn2c(cc(-c3cnc(N4CCCC4)nc3)cc2-c2ncc(C)cn2)n1 ZINC000045257674 563127485 /nfs/dbraw/zinc/12/74/85/563127485.db2.gz XMXREKQYAQTQSR-UHFFFAOYSA-N 0 0 443.515 3.298 1 0 IGAFRN C[C@@H]1[NH2+]CCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)[O-])C4=O)cc21 ZINC000045300682 563129095 /nfs/dbraw/zinc/12/90/95/563129095.db2.gz CGMMFXNMEFVXNL-MEDUHNTESA-N 0 0 431.439 3.287 1 0 IGAFRN COc1cccc(CNC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 ZINC000045324907 563131035 /nfs/dbraw/zinc/13/10/35/563131035.db2.gz BZNPGRGVZQQYTM-IBGZPJMESA-N 0 0 436.491 3.446 1 0 IGAFRN O=C1CSc2cc(Cl)ccc2N1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045339366 563131840 /nfs/dbraw/zinc/13/18/40/563131840.db2.gz RFTVMINYXHUSQZ-IBGZPJMESA-N 0 0 436.871 3.236 1 0 IGAFRN CC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)C=Cc3ccc(Cl)s3)C2=O)c(F)c1 ZINC000045340247 563132023 /nfs/dbraw/zinc/13/20/23/563132023.db2.gz DNSKKBFCDBILLO-HEWZJLJBSA-N 0 0 442.921 3.439 1 0 IGAFRN CC(C)[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)c1ccccc1)C(=O)N(C)c1cccc(C(=O)[O-])c1 ZINC000049037388 563136516 /nfs/dbraw/zinc/13/65/16/563136516.db2.gz QXCWXCUYCDTBBS-UTKZUKDTSA-N 0 0 439.556 3.402 1 0 IGAFRN O=c1ccn(CCOc2ccc(Nc3ncc(Cc4c(F)cccc4F)o3)cc2)c(=O)[nH]1 ZINC000049070622 563137709 /nfs/dbraw/zinc/13/77/09/563137709.db2.gz SFGNLNNYRGMMEQ-UHFFFAOYSA-N 0 0 440.406 3.216 1 0 IGAFRN CCc1cc2c(cc1OS(N)(=O)=O)CC[C@H]1[C@@H]3CC[C@H](S(C)(=O)=O)[C@@]3(C)CC[C@H]21 ZINC000049072117 563137884 /nfs/dbraw/zinc/13/78/84/563137884.db2.gz ZMEGXNCIYOHBPM-OKSLILNBSA-N 0 0 441.615 3.101 1 0 IGAFRN CCCN(CC1CC1)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049087730 563137994 /nfs/dbraw/zinc/13/79/94/563137994.db2.gz GPMCPEYDFZPDNP-FQEVSTJZSA-N 0 0 442.531 3.187 1 0 IGAFRN CO[C@H]1O[C@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049088315 563138085 /nfs/dbraw/zinc/13/80/85/563138085.db2.gz QSGFSJSUJQKILI-RXFVIIJJSA-N 0 0 444.524 3.318 1 0 IGAFRN CN(C(=O)Nc1ccc(F)cc1)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1CO ZINC000061924230 563149635 /nfs/dbraw/zinc/14/96/35/563149635.db2.gz JYBHUDFMGXBNBN-JBACZVJFSA-N 0 0 436.487 3.278 3 0 IGAFRN CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)C(=O)C1CCCCC1 ZINC000061927364 563150196 /nfs/dbraw/zinc/15/01/96/563150196.db2.gz SRWYWSKSIKLWAG-UHFFFAOYSA-N 0 0 436.560 3.456 3 0 IGAFRN NC(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2CC1 ZINC000064549268 563155624 /nfs/dbraw/zinc/15/56/24/563155624.db2.gz LOAYGWDGCQXPQT-UHFFFAOYSA-N 0 0 428.418 3.338 1 0 IGAFRN CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1 ZINC000064560416 563156282 /nfs/dbraw/zinc/15/62/82/563156282.db2.gz CVMGGAWNRBFLIQ-UHFFFAOYSA-N 0 0 429.484 3.484 1 0 IGAFRN O=C(Nc1ccccc1)N1C[C@H](C(=O)N2CC[C@H](O)C2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000072177901 563166113 /nfs/dbraw/zinc/16/61/13/563166113.db2.gz YGQOORWVQMHJON-HFJQGTKSSA-N 0 0 442.519 3.233 1 0 IGAFRN CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3n[nH]c(OC)c3c2)c1F ZINC000072181119 563167138 /nfs/dbraw/zinc/16/71/38/563167138.db2.gz VYNISSRXDZYNKV-UHFFFAOYSA-N 0 0 441.872 3.163 1 0 IGAFRN CCCOC(=O)[C@]1(O)C=C(OCc2ccc3sccc3c2)[C@@H](OC(=O)CCC)[C@H](O)C1 ZINC000072181198 563167156 /nfs/dbraw/zinc/16/71/56/563167156.db2.gz VGQKHCDZBZLKQS-FRGLQRNOSA-N 0 0 448.537 3.463 1 0 IGAFRN O=C(CSc1nnc(-c2cccc(NC(=S)NCCO)c2)o1)c1ccc(F)cc1 ZINC000073196179 563169931 /nfs/dbraw/zinc/16/99/31/563169931.db2.gz WMWSQTHYYQOGLU-UHFFFAOYSA-N 0 0 432.502 3.129 1 0 IGAFRN C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000084731056 563178526 /nfs/dbraw/zinc/17/85/26/563178526.db2.gz WUWQRNVFOKPCAQ-UHFFFAOYSA-N 0 0 439.459 3.341 1 0 IGAFRN COc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)c1 ZINC000095555798 563181416 /nfs/dbraw/zinc/18/14/16/563181416.db2.gz GVGXBKHGUARVSG-IBGZPJMESA-N 0 0 425.510 3.344 3 0 IGAFRN COCCC(=O)NCCCNc1nc(Nc2cccc(F)c2)ncc1Br ZINC000095563416 563182931 /nfs/dbraw/zinc/18/29/31/563182931.db2.gz FMWYXEZJQFBDRW-UHFFFAOYSA-N 0 0 426.290 3.077 1 0 IGAFRN COc1ncc(-c2cccnc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1 ZINC000095563944 563183088 /nfs/dbraw/zinc/18/30/88/563183088.db2.gz KXPIWOKFJNDYEG-UHFFFAOYSA-N 0 0 447.417 3.246 1 0 IGAFRN CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cc(C)ccc2C)CC1 ZINC000095566140 563183393 /nfs/dbraw/zinc/18/33/93/563183393.db2.gz YLHTXDWJVYTSNI-FQEVSTJZSA-N 0 0 434.544 3.324 3 0 IGAFRN COc1ccc(C(=O)Nc2nn(C(=O)C3CC3)c3c2CN(C(=O)c2ccccc2)C3)cc1 ZINC000095577868 563186500 /nfs/dbraw/zinc/18/65/00/563186500.db2.gz NYFYIUHAEVNVKU-UHFFFAOYSA-N 0 0 430.464 3.350 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCc2ccc(C)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095594859 563191170 /nfs/dbraw/zinc/19/11/70/563191170.db2.gz RTVPASBYBBBJDN-HOYKHHGWSA-N 0 0 427.497 3.374 1 0 IGAFRN CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(F)c1)c1ccccc1O2 ZINC000095596791 563191701 /nfs/dbraw/zinc/19/17/01/563191701.db2.gz WQXHDBSIMYWLRO-UHFFFAOYSA-N 0 0 425.504 3.112 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597290 563191817 /nfs/dbraw/zinc/19/18/17/563191817.db2.gz QCJXDDFKQKWSRI-HOYKHHGWSA-N 0 0 445.487 3.247 1 0 IGAFRN CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095599927 563192506 /nfs/dbraw/zinc/19/25/06/563192506.db2.gz GAWCIIFGUYQMEF-NRFANRHFSA-N 0 0 431.544 3.498 3 0 IGAFRN O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@H]2CO ZINC000095866095 563194602 /nfs/dbraw/zinc/19/46/02/563194602.db2.gz UKYDEORRERRMRS-XFAFFCHDSA-N 0 0 426.516 3.094 1 0 IGAFRN COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@H](O)CN1CCOCC1 ZINC000096939083 563199966 /nfs/dbraw/zinc/19/99/66/563199966.db2.gz ZXOFLVYXBOZRGG-XMMPIXPASA-N 0 0 435.568 3.247 1 0 IGAFRN CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1CC(=O)N(c2ccc(F)cc2)C(=O)N1c1ccco1 ZINC000098081930 563200527 /nfs/dbraw/zinc/20/05/27/563200527.db2.gz HMODFAGXJHIOSN-RSMUXPGISA-N 0 0 446.431 3.042 1 0 IGAFRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211050 132308932 /nfs/dbraw/zinc/30/89/32/132308932.db2.gz HLGUSANISRNTAH-CQSZACIVSA-N 0 0 425.924 3.456 3 0 IGAFRN CC(C)(C)c1nc2c(nnn2Cc2ccccc2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000008828580 534904976 /nfs/dbraw/zinc/90/49/76/534904976.db2.gz PITQDHHHZHJSFE-UHFFFAOYSA-N 0 0 445.527 3.123 3 0 IGAFRN CCOc1cc(S(=O)(=O)N2CCCC3(CCCCC3)C2)c(OCC)cc1-n1cnnn1 ZINC000001325360 562921226 /nfs/dbraw/zinc/92/12/26/562921226.db2.gz WINFEDDVSXFILN-UHFFFAOYSA-N 0 0 449.577 3.195 1 0 IGAFRN COC(=O)Nc1nc2cc(NC(=O)c3ccc(I)cc3)ccc2[nH]1 ZINC000001663043 562924395 /nfs/dbraw/zinc/92/43/95/562924395.db2.gz GIBBXVFAQVGNHF-UHFFFAOYSA-N 0 0 436.209 3.020 1 0 IGAFRN O=C1C[C@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1c(F)cccc12 ZINC000003776016 562937715 /nfs/dbraw/zinc/93/77/15/562937715.db2.gz MLCWSDDOTVPFBJ-IBGZPJMESA-N 0 0 449.207 3.035 1 0 IGAFRN Cc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc2c1OCO2 ZINC000003814515 562938472 /nfs/dbraw/zinc/93/84/72/562938472.db2.gz DKYUBWWDQMKPOP-UHFFFAOYSA-N 0 0 425.388 3.243 1 0 IGAFRN O=C(CNC(=O)c1ccco1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccco1 ZINC000004411603 562943295 /nfs/dbraw/zinc/94/32/95/562943295.db2.gz TWMRRLWGXPDAJN-QHCPKHFHSA-N 0 0 449.507 3.431 3 0 IGAFRN COC(=O)C[C@@H]([C@@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000005835651 562945025 /nfs/dbraw/zinc/94/50/25/562945025.db2.gz GFQPDPJYPJHRKN-TUNNFDKTSA-N 0 0 439.464 3.060 1 0 IGAFRN COC(=O)/C=C/c1cc2c(c(OC)c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H]2C(=O)OC ZINC000006006611 562945700 /nfs/dbraw/zinc/94/57/00/562945700.db2.gz PSIYZHFYCJVWJB-ULJFZEHQSA-N 0 0 428.437 3.289 1 0 IGAFRN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000008589324 562951165 /nfs/dbraw/zinc/95/11/65/562951165.db2.gz WDEIGTNXUTVSII-FQEVSTJZSA-N 0 0 441.553 3.041 1 0 IGAFRN CCOC(=O)N1CCN(C(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)CC1 ZINC000012474863 562982207 /nfs/dbraw/zinc/98/22/07/562982207.db2.gz LAWPXJREZJVVOF-UHFFFAOYSA-N 0 0 428.514 3.225 3 0 IGAFRN COc1ccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086259 562984370 /nfs/dbraw/zinc/98/43/70/562984370.db2.gz DOERKPMWBFUAPN-OXJNMPFZSA-N 0 0 441.553 3.359 3 0 IGAFRN CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1 ZINC000013472741 562988057 /nfs/dbraw/zinc/98/80/57/562988057.db2.gz UZYFAUNKCDIOLM-UHFFFAOYSA-N 0 0 440.500 3.235 1 0 IGAFRN COc1cc2ncnc(N3CCN(C(=S)Nc4ccc(F)cc4)CC3)c2cc1OC ZINC000013474810 562988820 /nfs/dbraw/zinc/98/88/20/562988820.db2.gz XUZFASKPALAKMB-UHFFFAOYSA-N 0 0 427.505 3.305 1 0 IGAFRN O=C(CCCCC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)NCCc1ccccc1 ZINC000013524211 562991550 /nfs/dbraw/zinc/99/15/50/562991550.db2.gz SJBDTLMACAEIBX-UHFFFAOYSA-N 0 0 427.570 3.347 1 0 IGAFRN CCOP(=O)(CCNC(=O)[C@H]1Cc2cc3c(cc2C(=O)[C@H](C)S1)OCO3)OCC ZINC000013556830 562993229 /nfs/dbraw/zinc/99/32/29/562993229.db2.gz ZXCYEPWDCVFTMA-YVEFUNNKSA-N 0 0 443.458 3.027 1 0 IGAFRN Cc1cccc2c1O[P@@](=O)(OC[C@@H]1C[C@@H](F)[C@H](n3cnc4c3ncnc4N)O1)OC2 ZINC000013561147 562994311 /nfs/dbraw/zinc/99/43/11/562994311.db2.gz FYTFCQRUFXWTCM-FRVQXVLESA-N 0 0 435.352 3.076 1 0 IGAFRN Cc1nnc(CN2C(=O)[C@H](NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)[nH]1 ZINC000013587932 562995925 /nfs/dbraw/zinc/99/59/25/562995925.db2.gz IUQPIQITRCMSQR-GOSISDBHSA-N 0 0 434.887 3.136 1 0 IGAFRN COc1cc(OC)c(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 ZINC000013605219 562997194 /nfs/dbraw/zinc/99/71/94/562997194.db2.gz ICSDELHOOGLSSM-PMERELPUSA-N 0 0 427.482 3.063 1 0 IGAFRN COCOc1cc(OC)ccc1C[S@@](=O)c1ncccc1C(=O)Nc1ccncc1 ZINC000013605346 562997204 /nfs/dbraw/zinc/99/72/04/562997204.db2.gz KGAUOXRYXIAKQV-PMERELPUSA-N 0 0 427.482 3.028 1 0 IGAFRN CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](C2CC2)[C@H]1CCCO ZINC000013634675 562998163 /nfs/dbraw/zinc/99/81/63/562998163.db2.gz KFZHTAGRYGLNIR-TZBSWOFLSA-N 0 0 428.573 3.022 3 0 IGAFRN CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@@H](OCCCCO)C1 ZINC000013634671 562998191 /nfs/dbraw/zinc/99/81/91/562998191.db2.gz DLKYZMUVAPYQRL-JTHBVZDNSA-N 0 0 430.589 3.413 3 0 IGAFRN CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013656863 562999404 /nfs/dbraw/zinc/99/94/04/562999404.db2.gz SYQRGPGMLHBYGB-GLDPYIMESA-N 0 0 444.597 3.424 3 0 IGAFRN CCCN(C)C(=O)C[N@@H+]1C[C@H](c2cccc(OC)c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760914 563004976 /nfs/dbraw/zinc/00/49/76/563004976.db2.gz SOJFYIBAYMDZOI-JRFVFWCSSA-N 0 0 440.540 3.414 1 0 IGAFRN CN(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 ZINC000013780508 563006415 /nfs/dbraw/zinc/00/64/15/563006415.db2.gz SOKYORDDVNWLNW-INIZCTEOSA-N 0 0 440.443 3.376 1 0 IGAFRN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 ZINC000013809496 563008829 /nfs/dbraw/zinc/00/88/29/563008829.db2.gz PKDBEAMJXHHICQ-VPWKFZTBSA-N 0 0 432.480 3.490 1 0 IGAFRN COc1ccc(OC)c(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 ZINC000013831779 563011217 /nfs/dbraw/zinc/01/12/17/563011217.db2.gz ISCOBOIUGVZUJD-QHCPKHFHSA-N 0 0 448.475 3.357 1 0 IGAFRN CCn1c2nc(NC3CCCCC3)n(Cc3ccc(OC)c(F)c3)c2c(=O)n(CC)c1=O ZINC000013860288 563012514 /nfs/dbraw/zinc/01/25/14/563012514.db2.gz GFIVTABKMGOGIV-UHFFFAOYSA-N 0 0 443.523 3.340 1 0 IGAFRN CN(C[C@H](C(=O)[O-])c1ccc2c(c1)OCC2)C(=O)CCCCc1ccc2c([nH+]1)NCCC2 ZINC000013860635 563012542 /nfs/dbraw/zinc/01/25/42/563012542.db2.gz CKABJNNBXOFZHJ-NRFANRHFSA-N 0 0 437.540 3.414 1 0 IGAFRN CCOC(=O)[C@@H](CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccc(N)cc1 ZINC000013863945 563013463 /nfs/dbraw/zinc/01/34/63/563013463.db2.gz GPXMHLKBVVKXLO-NRFANRHFSA-N 0 0 449.555 3.298 1 0 IGAFRN O=C(NCCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000015936456 563018788 /nfs/dbraw/zinc/01/87/88/563018788.db2.gz ZRDYACMNVVGNLE-HNNXBMFYSA-N 0 0 428.895 3.453 3 0 IGAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OC(C)(C)C ZINC000015952264 563020394 /nfs/dbraw/zinc/02/03/94/563020394.db2.gz SZHZHEUUHLAENN-SFHVURJKSA-N 0 0 440.544 3.094 3 0 IGAFRN CO[C@@H](c1nnc(CCC(=O)N2CCN(Cc3cccs3)CC2)o1)c1ccccc1 ZINC000020912331 563025163 /nfs/dbraw/zinc/02/51/63/563025163.db2.gz LEEOFPCMIMQUPD-OAQYLSRUSA-N 0 0 426.542 3.144 3 0 IGAFRN COc1cc2c(cc1OC)C1=NO[C@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@H]1CO2 ZINC000022930644 563026256 /nfs/dbraw/zinc/02/62/56/563026256.db2.gz WZOMJNATDSYQHS-BWFWGEEASA-N 0 0 449.551 3.146 1 0 IGAFRN Cc1ccccc1N1CCN(C(=O)COc2ccc(Cl)c(N3CCN(C)CC3)c2)CC1 ZINC000026935128 563037801 /nfs/dbraw/zinc/03/78/01/563037801.db2.gz BBJVEASJHDPHCO-UHFFFAOYSA-N 0 0 442.991 3.128 1 0 IGAFRN Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=C[N+](=O)[O-])NC2CCCCC2)c1 ZINC000026980235 563038521 /nfs/dbraw/zinc/03/85/21/563038521.db2.gz KMOZMAZZKUFBLF-XSFVSMFZSA-N 0 0 431.518 3.410 1 0 IGAFRN NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccncc2)CC2CC2)c1 ZINC000027205501 563040785 /nfs/dbraw/zinc/04/07/85/563040785.db2.gz LFWOVSQZHINOHK-UHFFFAOYSA-N 0 0 445.951 3.013 1 0 IGAFRN [NH3+]C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H]1c1ccco1 ZINC000027418465 563042026 /nfs/dbraw/zinc/04/20/26/563042026.db2.gz LASMISRBDAATFV-RISCZKNCSA-N 0 0 429.423 3.085 1 0 IGAFRN COc1ccc(COCC(=O)N2C(=O)C[C@H]3[C@@H](C(=O)OCc4ccccc4)CC[C@@H]32)cc1 ZINC000027517855 563042525 /nfs/dbraw/zinc/04/25/25/563042525.db2.gz LRJSPTKYYNPJBG-FKBYEOEOSA-N 0 0 437.492 3.109 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1 ZINC000027706220 563045544 /nfs/dbraw/zinc/04/55/44/563045544.db2.gz RGVOBYIBFIHUJF-AWEZNQCLSA-N 0 0 439.890 3.230 1 0 IGAFRN CCC/C=C/C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028013264 563049786 /nfs/dbraw/zinc/04/97/86/563049786.db2.gz KSSBUXNZTZBOGG-BCHTXMBSSA-N 0 0 446.617 3.275 1 0 IGAFRN CC(C)OC[C@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 ZINC000028119781 563051044 /nfs/dbraw/zinc/05/10/44/563051044.db2.gz BNHVGZWYAQDQAN-GOSISDBHSA-N 0 0 435.952 3.108 1 0 IGAFRN Cc1cc(C(N)=O)cc2nc(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000028703673 563061757 /nfs/dbraw/zinc/06/17/57/563061757.db2.gz RWTQXCQZLXMHMX-KRWDZBQOSA-N 0 0 437.887 3.124 1 0 IGAFRN O=C(NCCc1ccncc1)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br ZINC000028711943 563062761 /nfs/dbraw/zinc/06/27/61/563062761.db2.gz MZVAASJFMAIFSD-UHFFFAOYSA-N 0 0 448.708 3.445 1 0 IGAFRN COCCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028712041 563062785 /nfs/dbraw/zinc/06/27/85/563062785.db2.gz VXOYJDSEHZJOTE-UHFFFAOYSA-N 0 0 426.598 3.121 1 0 IGAFRN NC(=O)CCn1c2ccc(C(=O)NC3CCCCC3)cc2nc1NC(=O)c1ccccc1 ZINC000028822756 563065720 /nfs/dbraw/zinc/06/57/20/563065720.db2.gz JOEQBUIAUWMVDT-UHFFFAOYSA-N 0 0 433.512 3.227 1 0 IGAFRN CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1c2ccccc2C=NN(C)C1=O ZINC000028899913 563069007 /nfs/dbraw/zinc/06/90/07/563069007.db2.gz JHTLAAWJQMVUGR-RBBKRZOGSA-N 0 0 426.561 3.151 1 0 IGAFRN COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000028965780 563071002 /nfs/dbraw/zinc/07/10/02/563071002.db2.gz HVCSNRBEYZDBMD-BQYQJAHWSA-N 0 0 438.498 3.324 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cc(F)cc(F)c2)O1 ZINC000028974588 563071429 /nfs/dbraw/zinc/07/14/29/563071429.db2.gz GNFAFBVSLUZXIL-MMEWPQADSA-N 0 0 425.332 3.032 1 0 IGAFRN CC(=O)NCCCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCOCC1 ZINC000029046310 563072593 /nfs/dbraw/zinc/07/25/93/563072593.db2.gz XDKINWVSXRHNLH-UHFFFAOYSA-N 0 0 435.590 3.060 1 0 IGAFRN O=C(CNC(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000029125743 563074457 /nfs/dbraw/zinc/07/44/57/563074457.db2.gz XVPMLMSSVMKOOV-MRXNPFEDSA-N 0 0 439.865 3.479 1 0 IGAFRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)[O-] ZINC000029126346 563074594 /nfs/dbraw/zinc/07/45/94/563074594.db2.gz OJPHTSOMTCBSRQ-KGQOEIRESA-N 0 0 438.568 3.440 1 0 IGAFRN O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(I)ccc1O ZINC000029243270 563077219 /nfs/dbraw/zinc/07/72/19/563077219.db2.gz UAXLROFCHNOXNS-AWEZNQCLSA-N 0 0 435.139 3.204 1 0 IGAFRN C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)Nc1ccccc1 ZINC000029325661 563078002 /nfs/dbraw/zinc/07/80/02/563078002.db2.gz HHHFZDWACHYGEX-MEDUHNTESA-N 0 0 428.286 3.214 1 0 IGAFRN CN(C)c1ccc(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC000029408933 563079733 /nfs/dbraw/zinc/07/97/33/563079733.db2.gz MKTBEDGUTVRUNF-FQEVSTJZSA-N 0 0 437.540 3.172 1 0 IGAFRN CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC[C@H](O)C3)c2)CC1 ZINC000029564723 563082577 /nfs/dbraw/zinc/08/25/77/563082577.db2.gz QIJBSROVPILMNU-QHCPKHFHSA-N 0 0 437.584 3.393 1 0 IGAFRN CC[C@@H](C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000034817392 563087967 /nfs/dbraw/zinc/08/79/67/563087967.db2.gz HQCGBXMJQCNVDM-KUHUBIRLSA-N 0 0 425.510 3.469 1 0 IGAFRN CCCn1c2[nH]c(-c3cnn(Cc4ccc(Cl)cc4)c3)nc2c(=O)n(CCC)c1=O ZINC000035861146 563090150 /nfs/dbraw/zinc/09/01/50/563090150.db2.gz YOLKEFKOWBQNMM-UHFFFAOYSA-N 0 0 426.908 3.272 1 0 IGAFRN COc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1F ZINC000035984313 563090615 /nfs/dbraw/zinc/09/06/15/563090615.db2.gz NKKHUNXEXXFYQF-UHFFFAOYSA-N 0 0 428.435 3.474 1 0 IGAFRN COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036388523 563094895 /nfs/dbraw/zinc/09/48/95/563094895.db2.gz ZPWQYKLAMUJWGX-PKOBYXMFSA-N 0 0 446.544 3.392 3 0 IGAFRN O=C([O-])C[C@@H](NC(=O)CCCCc1ccc2c([nH+]1)NCCC2)c1ccc2c(c1)OCO2 ZINC000038449759 563097748 /nfs/dbraw/zinc/09/77/48/563097748.db2.gz FZBGGWKHCWPGOF-GOSISDBHSA-N 0 0 425.485 3.213 1 0 IGAFRN [NH3+]C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1c1ccco1 ZINC000038560275 563097979 /nfs/dbraw/zinc/09/79/79/563097979.db2.gz LASMISRBDAATFV-BXUZGUMPSA-N 0 0 429.423 3.085 1 0 IGAFRN COCCNC(=O)c1cccc2c1CCN(Cc1ccnc3cc(OC)c(OC)cc13)C2 ZINC000040429819 563103249 /nfs/dbraw/zinc/10/32/49/563103249.db2.gz RBOXVCVDYDDQOZ-UHFFFAOYSA-N 0 0 435.524 3.187 1 0 IGAFRN CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](CO)c1ccc(F)cc1F ZINC000040565684 563104876 /nfs/dbraw/zinc/10/48/76/563104876.db2.gz VFUCISRJYLDARP-XPWALMASSA-N 0 0 442.506 3.155 1 0 IGAFRN COc1cccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(N)n2)c1 ZINC000040848112 563107783 /nfs/dbraw/zinc/10/77/83/563107783.db2.gz YQUJABWVVMBQIQ-UHFFFAOYSA-N 0 0 446.507 3.407 1 0 IGAFRN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)nn3C)cc2)CC1 ZINC000040861471 563108072 /nfs/dbraw/zinc/10/80/72/563108072.db2.gz QNVFWUYZOVQZJB-UHFFFAOYSA-N 0 0 430.452 3.112 1 0 IGAFRN OC[C@H](O)CSc1nc(-c2ccnc(NC3CCOCC3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040861809 563108202 /nfs/dbraw/zinc/10/82/02/563108202.db2.gz HQVRTEVEFWPWCH-SFHVURJKSA-N 0 0 444.532 3.314 1 0 IGAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2cccc(Cl)c2)(c2ccccn2)CC1 ZINC000040872544 563109031 /nfs/dbraw/zinc/10/90/31/563109031.db2.gz SBRZAQYMJLCFIR-UHFFFAOYSA-N 0 0 435.977 3.238 1 0 IGAFRN CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040873194 563109106 /nfs/dbraw/zinc/10/91/06/563109106.db2.gz SGMXIIBNLPOUAX-WOJBJXKFSA-N 0 0 449.532 3.367 1 0 IGAFRN O=C(CCC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 ZINC000040878628 563109662 /nfs/dbraw/zinc/10/96/62/563109662.db2.gz GSRFNMKQTFAGAY-QHCPKHFHSA-N 0 0 442.515 3.263 1 0 IGAFRN COc1cc2c(cc1OC)[C@@](C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C ZINC000040900420 563110928 /nfs/dbraw/zinc/11/09/28/563110928.db2.gz LYFXEMOEIJEDAX-XMMPIXPASA-N 0 0 441.480 3.296 1 0 IGAFRN CCCOc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(Br)cc32)cc1O ZINC000040937481 563112964 /nfs/dbraw/zinc/11/29/64/563112964.db2.gz LCERHMDUMFVWTG-WJDWOHSUSA-N 0 0 431.286 3.344 1 0 IGAFRN CN(C)c1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1 ZINC000040974719 563115184 /nfs/dbraw/zinc/11/51/84/563115184.db2.gz WMJZYHJQSGVYFD-UHFFFAOYSA-N 0 0 436.541 3.261 1 0 IGAFRN CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl ZINC000043080303 563118551 /nfs/dbraw/zinc/11/85/51/563118551.db2.gz HXVOYGOCHIJTQY-UHFFFAOYSA-N 0 0 449.400 3.352 1 0 IGAFRN CN1C(=N)N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cc(F)cc(-c3cncnc3)c2)C1=O ZINC000045245843 563126647 /nfs/dbraw/zinc/12/66/47/563126647.db2.gz SWJSIMOUBCDDJW-FQEVSTJZSA-N 0 0 445.376 3.421 1 0 IGAFRN C[C@H](Nc1nc(N)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1)c1ccc2ccccc2c1 ZINC000045252934 563126752 /nfs/dbraw/zinc/12/67/52/563126752.db2.gz UXYOCRLZKBFANG-XOBRGWDASA-N 0 0 428.496 3.402 1 0 IGAFRN CS(=O)(=O)Nc1ccc(OCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1 ZINC000045353135 563132408 /nfs/dbraw/zinc/13/24/08/563132408.db2.gz MKWNWKZQPHCTJB-UHFFFAOYSA-N 0 0 446.356 3.362 1 0 IGAFRN Cn1cnc2c1nc(-c1cccc(NC(=O)Nc3cccc(N)c3)c1)nc2NCCCO ZINC000049037412 563136519 /nfs/dbraw/zinc/13/65/19/563136519.db2.gz FXWBDVIANIGTLF-UHFFFAOYSA-N 0 0 432.488 3.051 1 0 IGAFRN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1Cc1cccc2ccccc21 ZINC000053166549 563141197 /nfs/dbraw/zinc/14/11/97/563141197.db2.gz FVKBGMPPTQVRJN-XXBNENTESA-N 0 0 448.519 3.403 1 0 IGAFRN CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCC(O)CC4)cc3)n2)cc1 ZINC000053213704 563141284 /nfs/dbraw/zinc/14/12/84/563141284.db2.gz SNCROWOTWGUING-UHFFFAOYSA-N 0 0 439.541 3.220 1 0 IGAFRN Cc1cccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCC3)c3nnnn3c12 ZINC000057679019 563143113 /nfs/dbraw/zinc/14/31/13/563143113.db2.gz PYSYFCFUONOGLQ-UHFFFAOYSA-N 0 0 443.515 3.159 3 0 IGAFRN CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)CCC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000058626976 563145892 /nfs/dbraw/zinc/14/58/92/563145892.db2.gz PFXLKKGAWOLVNE-OAQYLSRUSA-N 0 0 439.512 3.128 1 0 IGAFRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860184 563146795 /nfs/dbraw/zinc/14/67/95/563146795.db2.gz PKCCKZIQHMGGEH-WMZOPIPTSA-N 0 0 427.578 3.125 3 0 IGAFRN CC(=O)Oc1ccc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061895658 563147181 /nfs/dbraw/zinc/14/71/81/563147181.db2.gz OFDRGGUCRYLZMU-QFIPXVFZSA-N 0 0 430.464 3.124 3 0 IGAFRN COc1ccc(CCCNC(=O)[C@@]2(C)Cc3c(nccc3-c3cccc(C(N)=O)c3)O2)cc1 ZINC000061907339 563148730 /nfs/dbraw/zinc/14/87/30/563148730.db2.gz LNFCSBUGOFBKML-AREMUKBSSA-N 0 0 445.519 3.299 3 0 IGAFRN COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@H]2CO)cc1 ZINC000061924229 563149658 /nfs/dbraw/zinc/14/96/58/563149658.db2.gz VOFHYYMGDUYUCP-BVSLBCMMSA-N 0 0 448.523 3.147 3 0 IGAFRN COc1ccc2nc3n(c(=O)c2c1)-c1cc(C)ccc1C(=O)N[C@@H]3Cc1ccc(O)cc1 ZINC000061949237 563151741 /nfs/dbraw/zinc/15/17/41/563151741.db2.gz SABLWLLMKISUKX-OAQYLSRUSA-N 0 0 427.460 3.436 3 0 IGAFRN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC(N2CCN(c3ncccn3)CC2)C1 ZINC000064746721 563156761 /nfs/dbraw/zinc/15/67/61/563156761.db2.gz IABLYMUVWHQTGC-UHFFFAOYSA-N 0 0 446.555 3.312 1 0 in-vitro IGAFRN CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3cc(Cl)ccn3)sc2C1 ZINC000066075994 563157451 /nfs/dbraw/zinc/15/74/51/563157451.db2.gz ZCDCCJOGXXLQMK-UHFFFAOYSA-N 0 0 441.944 3.362 1 0 IGAFRN CC[C@H](C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 ZINC000066111558 563158836 /nfs/dbraw/zinc/15/88/36/563158836.db2.gz UBCICOPKLTVUSO-FUHWJXTLSA-N 0 0 449.544 3.185 1 0 IGAFRN CC(C)C[C@H](NC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(N)=O ZINC000066112388 563159006 /nfs/dbraw/zinc/15/90/06/563159006.db2.gz CRCFBPNNBWZSBL-SQJMNOBHSA-N 0 0 437.540 3.027 1 0 IGAFRN COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(CCc2cc(OC)c(OC)c(OC)c2)[C@H]1C ZINC000066124135 563159330 /nfs/dbraw/zinc/15/93/30/563159330.db2.gz AHKBLVRZDVXQIO-JHVJFLLYSA-N 0 0 442.512 3.199 1 0 IGAFRN CN1CCN(c2cccc3c2C(=O)CCN3S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000066259028 563160385 /nfs/dbraw/zinc/16/03/85/563160385.db2.gz TZMHJAWORUSIEG-UHFFFAOYSA-N 0 0 435.549 3.373 1 0 IGAFRN CCC(=O)c1c2c(nc3ccc(OC)cc31)-c1cc3c(c(=O)n1C2)COC(=O)C[C@@]3(O)CC ZINC000071296124 563161697 /nfs/dbraw/zinc/16/16/97/563161697.db2.gz BDTZLYDFLJEZPI-VWLOTQADSA-N 0 0 448.475 3.071 1 0 IGAFRN Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)o1 ZINC000072118260 563163726 /nfs/dbraw/zinc/16/37/26/563163726.db2.gz QMFPZFZAQHQIPX-HXUWFJFHSA-N 0 0 442.475 3.385 1 0 IGAFRN COc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1N ZINC000072175513 563165380 /nfs/dbraw/zinc/16/53/80/563165380.db2.gz XBQHFXCPZMGKKQ-UHFFFAOYSA-N 0 0 446.511 3.407 1 0 IGAFRN C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3C2CC2)cc1 ZINC000072316114 563168363 /nfs/dbraw/zinc/16/83/63/563168363.db2.gz AGPTUNRVLHLJTR-FQEVSTJZSA-N 0 0 430.302 3.586 1 0 IGAFRN CCN(C)C(=O)c1ccc([C@H](c2ccccn2)N2CCN(Cc3ccccn3)CC2)cc1 ZINC000073167460 563169656 /nfs/dbraw/zinc/16/96/56/563169656.db2.gz JOLPIXRXMOTJNT-RUZDIDTESA-N 0 0 429.568 3.476 1 0 IGAFRN Cc1ccc(C(=O)NC2CC2)cc1-c1cc2nnc(-c3c(C)cccc3F)n2n(C)c1=O ZINC000082155984 563173685 /nfs/dbraw/zinc/17/36/85/563173685.db2.gz VZDQDZPUDMWPCP-UHFFFAOYSA-N 0 0 431.471 3.410 1 0 IGAFRN Nc1nc(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1I ZINC000084727935 563178285 /nfs/dbraw/zinc/17/82/85/563178285.db2.gz AAWQTPVMDYXVCP-UHFFFAOYSA-N 0 0 447.276 3.195 1 0 IGAFRN O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccccc2F)CC1 ZINC000084741819 563179205 /nfs/dbraw/zinc/17/92/05/563179205.db2.gz ZJWLDOIFABHKNV-INIZCTEOSA-N 0 0 446.320 3.210 1 0 IGAFRN CN1CCN(C(=O)CSc2nnc(-c3cccnc3SCc3ccccc3)o2)CC1 ZINC000095590937 563190195 /nfs/dbraw/zinc/19/01/95/563190195.db2.gz HGBMIJUYLGZCDI-UHFFFAOYSA-N 0 0 441.582 3.290 1 0 IGAFRN COc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000095598524 563192185 /nfs/dbraw/zinc/19/21/85/563192185.db2.gz BTZIFFTVNYFUFV-IYBDPMFKSA-N 0 0 426.542 3.231 1 0 IGAFRN O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095598717 563192257 /nfs/dbraw/zinc/19/22/57/563192257.db2.gz UYTFWLFJSUVKLV-JBRSBNLGSA-N 0 0 430.479 3.384 1 0 IGAFRN Cc1ccc(S(=O)(=O)C[C@@H]2O[C@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095603760 563193558 /nfs/dbraw/zinc/19/35/58/563193558.db2.gz UQBVUWIFGBRGGC-FSSWDIPSSA-N 0 0 449.594 3.436 3 0 IGAFRN O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095871572 563194629 /nfs/dbraw/zinc/19/46/29/563194629.db2.gz SVZWZQFMECBXMQ-GIFXNVAJSA-N 0 0 448.469 3.443 1 0 IGAFRN CCC(C)(C)c1nn(CCO)c2c1N=C(c1ccc(-n3cc(C)nc3C)cc1)CNC2=O ZINC000096928709 563198348 /nfs/dbraw/zinc/19/83/48/563198348.db2.gz JXMGSHJTXOLNAJ-UHFFFAOYSA-N 0 0 434.544 3.230 1 0 IGAFRN O=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000095573421 581091085 /nfs/dbraw/zinc/09/10/85/581091085.db2.gz VMTZDIHMLVWUQZ-XANBXHNASA-N 0 0 426.561 3.004 1 0 in-vitro IGAFRN Cc1cc2sc(N3CCC[C@@H](C(=O)N4CCN(c5ncccn5)CC4)C3)nc2c(C)c1 ZINC000008680397 132290136 /nfs/dbraw/zinc/29/01/36/132290136.db2.gz NQVXHWYUWWTGOD-GOSISDBHSA-N 0 0 436.585 3.268 3 0 IGAFRN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCc1c[nH]c3ccccc13)nc2C ZINC000020563088 525937178 /nfs/dbraw/zinc/93/71/78/525937178.db2.gz JMVRPZHQJCHNGK-UHFFFAOYSA-N 0 0 440.507 3.039 1 0 IGAFRN COc1ccccc1[C@H]1CC(=O)C[C@@H](c2ccccc2OC)C12C(=O)NC(=S)NC2=O ZINC000001860534 562925036 /nfs/dbraw/zinc/92/50/36/562925036.db2.gz POMVPHZAPHHHIS-CALCHBBNSA-N 0 0 438.505 3.292 1 0 IGAFRN O=C(N1CCC(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001904323 562925385 /nfs/dbraw/zinc/92/53/85/562925385.db2.gz PEBJCRVGFDHDLN-UHFFFAOYSA-N 0 0 448.976 3.041 1 0 IGAFRN Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C ZINC000003417666 562935485 /nfs/dbraw/zinc/93/54/85/562935485.db2.gz PDZGHAIQPMKFEQ-UHFFFAOYSA-N 0 0 432.303 3.446 3 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4cc5ccccc5cc4O3)O2)c(=O)[nH]c1=O ZINC000003596705 562936711 /nfs/dbraw/zinc/93/67/11/562936711.db2.gz QSRSOGPDZUJZCE-NVDIGUCNSA-N 0 0 442.364 3.186 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641393 562937236 /nfs/dbraw/zinc/93/72/36/562937236.db2.gz VNNRNHSLBICHPY-BAXXHSGISA-N 0 0 440.776 3.247 1 0 IGAFRN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1c(F)ccc2-c1ncco1 ZINC000003648842 562937406 /nfs/dbraw/zinc/93/74/06/562937406.db2.gz ROAPUKONHWWYSG-UHFFFAOYSA-N 0 0 446.438 3.129 1 0 IGAFRN COc1cc(C=C(NC(=O)c2ccccc2)c2nc3cncnc3[nH]2)cc(OC)c1OC ZINC000005545782 562944195 /nfs/dbraw/zinc/94/41/95/562944195.db2.gz ONXPWLIOHMGVLU-SXGWCWSVSA-N 0 0 431.452 3.307 1 0 IGAFRN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)NCc1cccc(F)c1)nc2C ZINC000008593333 562952622 /nfs/dbraw/zinc/95/26/22/562952622.db2.gz RZGMRYDNKFVPEB-UHFFFAOYSA-N 0 0 433.487 3.435 1 0 IGAFRN CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000011996548 562980321 /nfs/dbraw/zinc/98/03/21/562980321.db2.gz KFFKNWAROOIVLS-NRFANRHFSA-N 0 0 447.495 3.077 1 0 IGAFRN COC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CN(Cc1coc3ccccc3c1=O)CCO2 ZINC000012029468 562980525 /nfs/dbraw/zinc/98/05/25/562980525.db2.gz WXFSLMAAONXVND-QFIPXVFZSA-N 0 0 448.519 3.325 1 0 IGAFRN COC(=O)c1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4ccc(C(=O)OC)cn4)c3O2)cc1 ZINC000012079536 562980697 /nfs/dbraw/zinc/98/06/97/562980697.db2.gz PBLOOOHGRYHKEY-IBGZPJMESA-N 0 0 446.459 3.055 1 0 IGAFRN COc1ccc2[nH]c(CCN(C)C(=O)[C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)nc2c1 ZINC000012433566 562982077 /nfs/dbraw/zinc/98/20/77/562982077.db2.gz PRRWGYCFCXHGAW-QGZVFWFLSA-N 0 0 438.503 3.150 3 0 IGAFRN OCCOCCn1c2ccccc2nc1[C@@H](CO)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000012507244 562982575 /nfs/dbraw/zinc/98/25/75/562982575.db2.gz KROQHVPUNMTZDH-GOSISDBHSA-N 0 0 442.516 3.453 3 0 IGAFRN Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5s4)CC3=O)ccc12 ZINC000013439861 562986147 /nfs/dbraw/zinc/98/61/47/562986147.db2.gz WRYZJUOXGNFVGW-UHFFFAOYSA-N 0 0 438.944 3.320 1 0 IGAFRN CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000013444714 562986864 /nfs/dbraw/zinc/98/68/64/562986864.db2.gz NQLCAHXYVYXKBG-UHFFFAOYSA-N 0 0 426.513 3.469 1 0 IGAFRN c1ccc2nc(COc3ccc(-c4nnn(CCCCc5nn[nH]n5)n4)cc3)ccc2c1 ZINC000013452680 562987547 /nfs/dbraw/zinc/98/75/47/562987547.db2.gz RRIQWZVDFZMNRL-UHFFFAOYSA-N 0 0 427.472 3.003 1 0 IGAFRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)Nc1ccccn1)CC(C)C ZINC000013489855 562990128 /nfs/dbraw/zinc/99/01/28/562990128.db2.gz OORGRLDXMMAWSI-UTKZUKDTSA-N 0 0 449.555 3.027 1 0 IGAFRN Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1C ZINC000013501546 562990970 /nfs/dbraw/zinc/99/09/70/562990970.db2.gz CZBDTERFPNBQSP-UHFFFAOYSA-N 0 0 434.496 3.360 3 0 IGAFRN COc1cc(OC)c(OC)cc1C[S@@](=O)c1ncccc1C(=O)Nc1ccncc1 ZINC000013605312 562997211 /nfs/dbraw/zinc/99/72/11/562997211.db2.gz QYPWHSRHSWAEJL-PMERELPUSA-N 0 0 427.482 3.063 1 0 IGAFRN CCCN(C)C(=O)C[N@@H+]1C[C@H](c2ccc(OC)cc2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760913 563005049 /nfs/dbraw/zinc/00/50/49/563005049.db2.gz BVNZXNOMGWQSDJ-JRFVFWCSSA-N 0 0 440.540 3.414 1 0 IGAFRN CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(I)cc2C1=O ZINC000013781497 563006619 /nfs/dbraw/zinc/00/66/19/563006619.db2.gz YVPJMZCJVHJOFG-UHFFFAOYSA-N 0 0 439.253 3.018 1 0 IGAFRN CCCC(=O)O[C@]1(C(=O)CO)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000013783466 563006944 /nfs/dbraw/zinc/00/69/44/563006944.db2.gz BMCQMVFGOVHVNG-OXLUOMBESA-N 0 0 432.557 3.133 1 0 IGAFRN COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000013830915 563011145 /nfs/dbraw/zinc/01/11/45/563011145.db2.gz AUWPSWVHPMLLIK-SLFFLAALSA-N 0 0 433.913 3.290 1 0 IGAFRN CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC ZINC000013833735 563011849 /nfs/dbraw/zinc/01/18/49/563011849.db2.gz YKHIXAGPCBUIAJ-MOPGFXCFSA-N 0 0 434.533 3.135 1 0 IGAFRN CCn1c2nc(NC3CCCC3)n(Cc3ccc(OC)c(Cl)c3)c2c(=O)n(CC)c1=O ZINC000013860293 563012466 /nfs/dbraw/zinc/01/24/66/563012466.db2.gz IJDDORRYFPXKTK-UHFFFAOYSA-N 0 0 445.951 3.464 1 0 IGAFRN COC(=O)c1[nH]c(=O)c2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000013863101 563013286 /nfs/dbraw/zinc/01/32/86/563013286.db2.gz VCYNRZGDEXCOND-UHFFFAOYSA-N 0 0 429.425 3.025 1 0 IGAFRN CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc(OC[C@@H](O)C(C)(C)O)c1O ZINC000014721441 563014939 /nfs/dbraw/zinc/01/49/39/563014939.db2.gz AXMCRMUBMNEKLN-OAQYLSRUSA-N 0 0 442.508 3.469 1 0 in-vivo IGAFRN CC(=O)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000014958092 563015916 /nfs/dbraw/zinc/01/59/16/563015916.db2.gz ZHXQDJKGZFPIEY-NRFANRHFSA-N 0 0 448.567 3.265 3 0 IGAFRN COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@@H]2C)cc(O)c1OC ZINC000015044806 563017469 /nfs/dbraw/zinc/01/74/69/563017469.db2.gz AEHBVQHJSNELOD-ASNKJTAVSA-N 0 0 432.469 3.376 1 0 IGAFRN COC(=O)c1ccccc1NC(=O)[C@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943132 563019973 /nfs/dbraw/zinc/01/99/73/563019973.db2.gz VYKUKCYBGILKIB-INIZCTEOSA-N 0 0 445.479 3.185 3 0 IGAFRN Cn1nnnc1C(/C=C/[C@H]1C[C@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026173744 563029418 /nfs/dbraw/zinc/02/94/18/563029418.db2.gz VIMMECPCYZXUCI-MIMFYIINSA-N 0 0 438.434 3.070 1 0 in-vitro IGAFRN CC(=O)SC[C@H](Cc1ccccc1)C(=O)N[C@H](CSCc1ccc(C)cc1)C(N)=O ZINC000026487937 563032451 /nfs/dbraw/zinc/03/24/51/563032451.db2.gz PUSQLVCDLZRNCT-LEWJYISDSA-N 0 0 444.622 3.337 1 0 IGAFRN Fc1ccc([C@H]2C[C@H](N3CCN(CCN4CCNC4=S)CC3)c3ccc(F)cc32)cc1 ZINC000026661371 563034996 /nfs/dbraw/zinc/03/49/96/563034996.db2.gz AVOSQJJHXGCJIZ-GGAORHGYSA-N 0 0 442.579 3.349 1 0 IGAFRN Fc1ccc([C@H]2C[C@@H](N3CCN(CCN4CCNC4=S)CC3)c3ccc(F)cc32)cc1 ZINC000026661361 563035007 /nfs/dbraw/zinc/03/50/07/563035007.db2.gz AVOSQJJHXGCJIZ-FYYLOGMGSA-N 0 0 442.579 3.349 1 0 IGAFRN CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1ccc[nH]c1=S)CC(C)C ZINC000026826408 563037077 /nfs/dbraw/zinc/03/70/77/563037077.db2.gz WAAZJBUXRKHJNM-QUCCMNQESA-N 0 0 429.586 3.431 1 0 IGAFRN CCCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC ZINC000027094021 563039469 /nfs/dbraw/zinc/03/94/69/563039469.db2.gz YKHIXAGPCBUIAJ-RBUKOAKNSA-N 0 0 434.533 3.135 1 0 IGAFRN CC1([NH3+])CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2Cl)C1 ZINC000027415987 563041976 /nfs/dbraw/zinc/04/19/76/563041976.db2.gz JNPQEJJSFKIYAD-UHFFFAOYSA-N 0 0 437.805 3.297 1 0 IGAFRN CN1N=C(O[C@@H]2c3cc(C(F)(F)C(F)(F)F)ccc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O ZINC000027517996 563042508 /nfs/dbraw/zinc/04/25/08/563042508.db2.gz FTUZJEPCGOSSCF-QOBDMFJFSA-N 0 0 434.361 3.352 1 0 IGAFRN CC(C)([NH3+])[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)C1 ZINC000027857978 563047440 /nfs/dbraw/zinc/04/74/40/563047440.db2.gz OYWLSRULTYEDQR-NSHDSACASA-N 0 0 446.429 3.065 1 0 IGAFRN CCC(CC)C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028017457 563049939 /nfs/dbraw/zinc/04/99/39/563049939.db2.gz PDYJEJDNDBABBJ-UHFFFAOYSA-N 0 0 448.633 3.355 1 0 IGAFRN CC(C)/C=C/C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028016813 563049980 /nfs/dbraw/zinc/04/99/80/563049980.db2.gz QQPUEBHTYDZRNX-UWBBQJGQSA-N 0 0 446.617 3.131 1 0 IGAFRN CCCc1cc([S@@](C)=O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028253305 563052198 /nfs/dbraw/zinc/05/21/98/563052198.db2.gz ORNFQJMFUAJWMO-HKBQPEDESA-N 0 0 433.537 3.434 1 0 IGAFRN CC(C)(C)NC(=O)CN(CCNc1ccnc2cc(Cl)ccc21)C(=O)c1cnccn1 ZINC000028360812 563053450 /nfs/dbraw/zinc/05/34/50/563053450.db2.gz YBXAFQQTPRQEQO-UHFFFAOYSA-N 0 0 440.935 3.147 1 0 IGAFRN O=c1n(Cc2nnc(SCc3ccccc3F)s2)nnn1-c1ccc(Cl)cc1 ZINC000028647668 563060860 /nfs/dbraw/zinc/06/08/60/563060860.db2.gz CLIXRHRTQGQLMP-UHFFFAOYSA-N 0 0 434.909 3.414 1 0 IGAFRN CC(C)(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc(Cl)s1 ZINC000028822819 563065769 /nfs/dbraw/zinc/06/57/69/563065769.db2.gz DDHFRVNBVVQIBV-UHFFFAOYSA-N 0 0 429.929 3.491 1 0 IGAFRN O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2cc[nH]c2c1 ZINC000028822856 563065800 /nfs/dbraw/zinc/06/58/00/563065800.db2.gz IBJPZAIYRZFKFK-FCHUYYIVSA-N 0 0 440.503 3.400 1 0 IGAFRN CCCCN(CCCC)c1c(C(N)=O)cc(S(=O)(=O)Nc2ccccc2)cc1C(N)=O ZINC000028862776 563066933 /nfs/dbraw/zinc/06/69/33/563066933.db2.gz VUJNXAHKVWSPQN-UHFFFAOYSA-N 0 0 446.573 3.092 1 0 IGAFRN O=c1nc2oc(-c3cccc(OCCCCCCF)c3)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000028865029 563067121 /nfs/dbraw/zinc/06/71/21/563067121.db2.gz FUHHNTVPPWJMED-CEWLAPEOSA-N 0 0 446.475 3.206 1 0 IGAFRN CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)NCCOCCNC(C)=O)cc2)c1Cl ZINC000028887818 563068214 /nfs/dbraw/zinc/06/82/14/563068214.db2.gz MHQIAEIOEGDYDP-AWEZNQCLSA-N 0 0 449.939 3.107 1 0 IGAFRN COc1ccc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)cc1OC ZINC000028893274 563068597 /nfs/dbraw/zinc/06/85/97/563068597.db2.gz NOTVJCILNKPCSK-JKSUJKDBSA-N 0 0 428.437 3.350 1 0 IGAFRN CCOC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1 ZINC000028949345 563069430 /nfs/dbraw/zinc/06/94/30/563069430.db2.gz DUROHNMRNFFGON-HNNXBMFYSA-N 0 0 437.456 3.292 1 0 IGAFRN NC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 ZINC000028951746 563069677 /nfs/dbraw/zinc/06/96/77/563069677.db2.gz DCTIKIWYRXDSOC-UHFFFAOYSA-N 0 0 426.379 3.366 1 0 IGAFRN Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC000028959588 563070691 /nfs/dbraw/zinc/07/06/91/563070691.db2.gz PKUIAZUBJRUROZ-QGZVFWFLSA-N 0 0 427.339 3.449 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cc(F)cc(F)c2)O1 ZINC000028974594 563071438 /nfs/dbraw/zinc/07/14/38/563071438.db2.gz GNFAFBVSLUZXIL-IZPCHGGPSA-N 0 0 425.332 3.032 1 0 IGAFRN COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000029129369 563075422 /nfs/dbraw/zinc/07/54/22/563075422.db2.gz ANSGENIAQXWYPA-LJQANCHMSA-N 0 0 440.924 3.347 1 0 IGAFRN CCOCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)CN(Cc1ccccc1OC)C(C)=O ZINC000029395042 563079142 /nfs/dbraw/zinc/07/91/42/563079142.db2.gz RXPUNYWZUXXVCS-NRFANRHFSA-N 0 0 437.540 3.289 1 0 IGAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)Cc1ccccc1O ZINC000029569569 563082976 /nfs/dbraw/zinc/08/29/76/563082976.db2.gz FYCAMGQPDONZNG-QMWXCIFZSA-N 0 0 431.532 3.319 1 0 IGAFRN OC[C@H]1O[C@@H](n2c3cc(Cl)cc(Cl)c3nc2SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000032022267 563084044 /nfs/dbraw/zinc/08/40/44/563084044.db2.gz DETKQVQLXZQZRN-VDHUWJSZSA-N 0 0 441.336 3.247 1 0 IGAFRN OC[C@H]1O[C@@H](n2c3cc(Cl)c(Cl)cc3nc2SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000032052959 563084104 /nfs/dbraw/zinc/08/41/04/563084104.db2.gz ISLZSOMAOHBIRJ-BRSBDYLESA-N 0 0 441.336 3.247 1 0 IGAFRN O=C(NC(=O)c1ccccc1)Nc1ccc([S@@](=O)c2ncc(Br)cn2)cc1 ZINC000034642840 563086775 /nfs/dbraw/zinc/08/67/75/563086775.db2.gz GUALLGCDXJOMHQ-MHZLTWQESA-N 0 0 445.298 3.368 1 0 IGAFRN COc1cc(OC)cc(-n2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1 ZINC000034983632 563088602 /nfs/dbraw/zinc/08/86/02/563088602.db2.gz RRWHVBZACLTBHL-UHFFFAOYSA-N 0 0 447.495 3.231 1 0 IGAFRN CCOC(=O)CN1C(=O)N(CCCn2ccnc2)C(=O)[C@]1(C)c1cccc2ccccc21 ZINC000036330418 563092846 /nfs/dbraw/zinc/09/28/46/563092846.db2.gz RZOJUYACASNMGU-DEOSSOPVSA-N 0 0 434.496 3.169 1 0 IGAFRN O=C(NCc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000038210619 563096979 /nfs/dbraw/zinc/09/69/79/563096979.db2.gz PSJYOQDMBWMKPS-UBFVSLLYSA-N 0 0 444.531 3.055 1 0 IGAFRN COc1cc2[nH]c(C)c(CCN3CCN(NC(=O)c4ccc(F)cc4)CC3)c2cc1OC ZINC000039219499 563098896 /nfs/dbraw/zinc/09/88/96/563098896.db2.gz RXAOIJUWFHFJNS-UHFFFAOYSA-N 0 0 440.519 3.138 1 0 IGAFRN CC(C)(C(=O)Nc1nnc([C@]2(C)CCOC2)s1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040845739 563107354 /nfs/dbraw/zinc/10/73/54/563107354.db2.gz RZVOLNBRSAOMJA-QGZVFWFLSA-N 0 0 429.951 3.061 1 0 IGAFRN COc1cccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn32)c1 ZINC000040866712 563108866 /nfs/dbraw/zinc/10/88/66/563108866.db2.gz PSAYAIMNVLJKEM-UHFFFAOYSA-N 0 0 448.483 3.210 1 0 IGAFRN CCCCOc1nc2c(ncn2Cc2c(F)cccc2F)c(NCCN2CCOCC2)n1 ZINC000040915626 563111352 /nfs/dbraw/zinc/11/13/52/563111352.db2.gz UGZWPZWADDDTRN-UHFFFAOYSA-N 0 0 446.502 3.076 1 0 in-vivo IGAFRN CCN(CC)C(=O)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 ZINC000040954883 563114554 /nfs/dbraw/zinc/11/45/54/563114554.db2.gz INHDFDXTIOKHNH-UHFFFAOYSA-N 0 0 439.564 3.309 1 0 IGAFRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ncccc2F)cc1 ZINC000043080184 563118552 /nfs/dbraw/zinc/11/85/52/563118552.db2.gz ZTBVFLOLYPMXDP-QGZVFWFLSA-N 0 0 431.467 3.444 1 0 IGAFRN COc1ccc(C[C@@]2(c3ccc(F)cc3)NC(=N)N(CCCc3cccnc3)C2=O)cc1 ZINC000045201775 563124857 /nfs/dbraw/zinc/12/48/57/563124857.db2.gz ZEACWDJAGNNWAB-VWLOTQADSA-N 0 0 432.499 3.457 1 0 IGAFRN C[C@H]1[NH2+]CCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)[O-])C4=O)cc21 ZINC000045257029 563127435 /nfs/dbraw/zinc/12/74/35/563127435.db2.gz CGMMFXNMEFVXNL-BZNIZROVSA-N 0 0 431.439 3.287 1 0 IGAFRN CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@@H](CS(C)(=O)=O)O3)C=CC(C)(C)O1 ZINC000045257303 563127440 /nfs/dbraw/zinc/12/74/40/563127440.db2.gz BSHWJRAMEDQUPB-ZDUSSCGKSA-N 0 0 432.494 3.308 1 0 IGAFRN CCc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc(I)cc1 ZINC000045291311 563128843 /nfs/dbraw/zinc/12/88/43/563128843.db2.gz FLYHPZBTRAEENU-UHFFFAOYSA-N 0 0 434.237 3.339 1 0 IGAFRN CC(C)NC(=O)N1CCN(C(=O)CO[C@H](c2cccs2)c2cccnc2Cl)CC1 ZINC000045302653 563129634 /nfs/dbraw/zinc/12/96/34/563129634.db2.gz MXMYDYCTSKPUFF-SFHVURJKSA-N 0 0 436.965 3.165 1 0 IGAFRN COc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)[C@@H]3CC[C@H]23)cc1OC ZINC000045390473 563134011 /nfs/dbraw/zinc/13/40/11/563134011.db2.gz TYRFDYIRJBOWAX-FCHUYYIVSA-N 0 0 449.551 3.309 1 0 IGAFRN CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1 ZINC000048999038 563135093 /nfs/dbraw/zinc/13/50/93/563135093.db2.gz HKMQCDWYQWFDPW-UHFFFAOYSA-N 0 0 439.541 3.091 1 0 IGAFRN CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)[C@H](O)CCS4)c(N)cc2C1 ZINC000049036177 563136411 /nfs/dbraw/zinc/13/64/11/563136411.db2.gz ZQJSDLBHDJRCMP-OAQYLSRUSA-N 0 0 427.570 3.203 1 0 IGAFRN Cn1cnc2c1nc(-c1cccc(C(=O)NCCCc3ccccc3)c1)nc2NCCCO ZINC000049048810 563136775 /nfs/dbraw/zinc/13/67/75/563136775.db2.gz MXDHMCSNLRAFLU-UHFFFAOYSA-N 0 0 444.539 3.187 1 0 IGAFRN Nc1nccc(-c2ccc3nc([C@H]4COc5c(CC(=O)NC6CC6)cccc5C4)[nH]c3c2)n1 ZINC000049113083 563138489 /nfs/dbraw/zinc/13/84/89/563138489.db2.gz QESAMTXGZKKXSR-QGZVFWFLSA-N 0 0 440.507 3.142 1 0 IGAFRN O=C([O-])c1cn(C23CC4CC(CC(C4)C2)C3)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000049765354 563139325 /nfs/dbraw/zinc/13/93/25/563139325.db2.gz MEHGHGQYFULREY-UHFFFAOYSA-N 0 0 425.504 3.174 1 0 IGAFRN COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC ZINC000049803778 563140101 /nfs/dbraw/zinc/14/01/01/563140101.db2.gz YRXPCPGTMSVNEK-UHFFFAOYSA-N 0 0 425.489 3.137 1 0 IGAFRN COCC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1 ZINC000053243494 563141489 /nfs/dbraw/zinc/14/14/89/563141489.db2.gz AFCJQVSLDHWRJB-UHFFFAOYSA-N 0 0 432.484 3.145 1 0 IGAFRN COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000053276439 563141565 /nfs/dbraw/zinc/14/15/65/563141565.db2.gz QONQGZZBFPEGKF-UHFFFAOYSA-N 0 0 444.488 3.137 1 0 IGAFRN CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)NC)cc3)sc21 ZINC000053295598 563141842 /nfs/dbraw/zinc/14/18/42/563141842.db2.gz QMZCIVSHZATIOB-UHFFFAOYSA-N 0 0 426.498 3.290 1 0 IGAFRN COc1cc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CO)cc(OC)c1OC ZINC000058590947 563145443 /nfs/dbraw/zinc/14/54/43/563145443.db2.gz VUFJWXNMVIRIAR-MRXNPFEDSA-N 0 0 449.301 3.145 1 0 IGAFRN C[C@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1Cc1ccccc1OC(F)F ZINC000061897274 563147522 /nfs/dbraw/zinc/14/75/22/563147522.db2.gz YUPJZKMMVSJLCV-HXUWFJFHSA-N 0 0 439.484 3.263 3 0 IGAFRN CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061923449 563149544 /nfs/dbraw/zinc/14/95/44/563149544.db2.gz DPPLRAYRWSWVAU-NRFANRHFSA-N 0 0 425.573 3.484 3 0 IGAFRN COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)NCCO)c4)cn23)c1 ZINC000061926725 563150032 /nfs/dbraw/zinc/15/00/32/563150032.db2.gz NCCGKBMJMGJJPG-UHFFFAOYSA-N 0 0 444.491 3.357 3 0 IGAFRN CC1(C)CCC[C@]2(C)[C@H]3Cc4oc(CN5CCOCC5)cc4[C@H]4C(=O)O[C@H]([C@@H]43)[C@H](O)[C@@H]12 ZINC000064559575 563156080 /nfs/dbraw/zinc/15/60/80/563156080.db2.gz SNEYOVGTILZAJD-DGQPMYFRSA-N 0 0 429.557 3.116 1 0 IGAFRN O=C1C(Cl)=C(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(Cl)nc1 ZINC000064700242 563156632 /nfs/dbraw/zinc/15/66/32/563156632.db2.gz LTNPTTCBGOLIBM-QPJJXVBHSA-N 0 0 443.334 3.390 1 0 IGAFRN O=C(C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258683 563160331 /nfs/dbraw/zinc/16/03/31/563160331.db2.gz WNJVHDCHIVYQBJ-QFIPXVFZSA-N 0 0 441.478 3.312 1 0 IGAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118146 563163724 /nfs/dbraw/zinc/16/37/24/563163724.db2.gz GYYXMDRMZFGFQG-OAQYLSRUSA-N 0 0 438.487 3.484 1 0 IGAFRN COc1ccccc1N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 ZINC000072176177 563165612 /nfs/dbraw/zinc/16/56/12/563165612.db2.gz HUULRXKFXMSFSP-LJQANCHMSA-N 0 0 447.576 3.200 1 0 IGAFRN CN1C(=N)N[C@](c2cnn(CCC3CCCCC3)c2)(c2cccc(-c3cncnc3)c2)C1=O ZINC000072180463 563166965 /nfs/dbraw/zinc/16/69/65/563166965.db2.gz IMPSJODCGOEHNO-VWLOTQADSA-N 0 0 443.555 3.341 1 0 IGAFRN COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3ccc(C(F)(F)F)cc3)CC(=O)N1CC2 ZINC000073218970 563170352 /nfs/dbraw/zinc/17/03/52/563170352.db2.gz CFWDUKXJHSNGCT-KRWDZBQOSA-N 0 0 434.414 3.304 1 0 IGAFRN CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl ZINC000073222150 563170687 /nfs/dbraw/zinc/17/06/87/563170687.db2.gz VPCGBNNYQVEART-UHFFFAOYSA-N 0 0 441.872 3.163 1 0 IGAFRN CC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000073297365 563172145 /nfs/dbraw/zinc/17/21/45/563172145.db2.gz PKHMXEAHOIRBKO-JWQCQUIFSA-N 0 0 444.531 3.318 1 0 IGAFRN COc1cc(N2CCNC(=O)C2)ccc1-c1nc2s[nH]c(C3CCCCC3)c-2c(=O)n1 ZINC000084617330 563174435 /nfs/dbraw/zinc/17/44/35/563174435.db2.gz XAHWWBWPTULGRD-UHFFFAOYSA-N 0 0 439.541 3.039 1 0 IGAFRN CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000084687427 563175754 /nfs/dbraw/zinc/17/57/54/563175754.db2.gz WSHWKOZXXYBYCF-UHFFFAOYSA-N 0 0 425.514 3.428 1 0 IGAFRN O=c1oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc2n1CCCN1CCOCC1 ZINC000084711827 563177544 /nfs/dbraw/zinc/17/75/44/563177544.db2.gz JWCDLHQKCFXQIY-UHFFFAOYSA-N 0 0 441.438 3.282 1 0 IGAFRN C=Cn1cnc2c1nc(N1CCC(CO)CC1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000084729008 563178436 /nfs/dbraw/zinc/17/84/36/563178436.db2.gz PEQXIHFKWMSQFO-UHFFFAOYSA-N 0 0 426.461 3.127 1 0 IGAFRN COc1ccc(Cn2cc(CN3CCc4onc(-c5ccccc5OC)c4C3=O)nn2)cc1 ZINC000095568615 563183936 /nfs/dbraw/zinc/18/39/36/563183936.db2.gz UHQOPSFHTLQABS-UHFFFAOYSA-N 0 0 445.479 3.197 3 0 IGAFRN O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000095570412 563184345 /nfs/dbraw/zinc/18/43/45/563184345.db2.gz LUCMCYNIEONQNN-NHCUHLMSSA-N 0 0 439.943 3.252 3 0 IGAFRN COC(=O)[C@@H]1N=C(c2ccc(OC)cc2)O[C@@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000095571172 563184389 /nfs/dbraw/zinc/18/43/89/563184389.db2.gz ARNMTNVRGTVIPV-NVQXNPDNSA-N 0 0 442.471 3.456 3 0 IGAFRN N=C1N[C@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095571843 563184590 /nfs/dbraw/zinc/18/45/90/563184590.db2.gz ZPBOQODCXCRRAT-QXPQREGVSA-N 0 0 441.915 3.492 1 0 IGAFRN COc1ccc(Cn2cnc3c4nc(=O)n(Cc5cccc(Cl)c5)c-4ncnc32)cc1 ZINC000095583593 563188329 /nfs/dbraw/zinc/18/83/29/563188329.db2.gz HXSHAWGDEMBIKW-UHFFFAOYSA-N 0 0 432.871 3.246 1 0 IGAFRN CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]c(C(N)=O)cc4c3)CC1)C2 ZINC000095584880 563188612 /nfs/dbraw/zinc/18/86/12/563188612.db2.gz SZNSJIYQPCHDKK-UHFFFAOYSA-N 0 0 433.512 3.096 1 0 IGAFRN COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccc(F)cc2)cc1 ZINC000095598801 563192265 /nfs/dbraw/zinc/19/22/65/563192265.db2.gz GNXIZIGCUMANRG-RBZQAINGSA-N 0 0 446.478 3.464 1 0 IGAFRN COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccc(F)cc2)c1 ZINC000095601355 563192785 /nfs/dbraw/zinc/19/27/85/563192785.db2.gz DMZOAGGJCGYILZ-RBZQAINGSA-N 0 0 446.478 3.464 1 0 IGAFRN Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)nn1C ZINC000095603674 563193481 /nfs/dbraw/zinc/19/34/81/563193481.db2.gz AQXYJLWVDGQRBI-UHFFFAOYSA-N 0 0 431.456 3.164 1 0 IGAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CCOc2ccccc2)C3=O)cc1 ZINC000095605557 563194044 /nfs/dbraw/zinc/19/40/44/563194044.db2.gz NSUJBJVDUODDMA-UHFFFAOYSA-N 0 0 436.489 3.471 1 0 IGAFRN CC(C)CCS(=O)(=O)N1C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C1 ZINC000096169505 563195394 /nfs/dbraw/zinc/19/53/94/563195394.db2.gz TWMYWSDGOVHDKS-WMLDXEAASA-N 0 0 434.480 3.246 1 0 IGAFRN CN(C)C(=O)c1ccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cc1 ZINC000096282534 563197049 /nfs/dbraw/zinc/19/70/49/563197049.db2.gz HVEMOANMBXRPOK-UHFFFAOYSA-N 0 0 435.509 3.245 1 0 IGAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccncc2)nc2sc(C)cn21 ZINC000096906075 563197597 /nfs/dbraw/zinc/19/75/97/563197597.db2.gz JETJHJYMHICOEU-UHFFFAOYSA-N 0 0 438.509 3.347 1 0 IGAFRN O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccccn2)CC1 ZINC000000918146 132234114 /nfs/dbraw/zinc/23/41/14/132234114.db2.gz KQWJKFSJSPRXBB-UHFFFAOYSA-N 0 0 442.401 3.366 3 0 IGAFRN COc1cccc(N2CCN(C(=O)c3c(C)oc4ncnc(N5CCCCC5)c43)CC2)c1 ZINC000008597070 132285537 /nfs/dbraw/zinc/28/55/37/132285537.db2.gz DYTCUFRDCLGVKV-UHFFFAOYSA-N 0 0 435.528 3.493 1 0 IGAFRN O=C(c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009490075 132319268 /nfs/dbraw/zinc/31/92/68/132319268.db2.gz MWQZSEVCUHJSHP-TXKCWOHGSA-N 0 0 445.494 3.100 1 0 IGAFRN CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@H]3OC(C)(C)O[C@@H]23)O1 ZINC000001651501 562923853 /nfs/dbraw/zinc/92/38/53/562923853.db2.gz BHLPICAGQSYCKG-JLHDYFKBSA-N 0 0 432.391 3.259 1 0 IGAFRN CCOC(=O)n1c2ccccc2c2c1N(C(=O)OCC)N(C(=O)OCC)[C@@H](OC)C2=O ZINC000001654589 562923974 /nfs/dbraw/zinc/92/39/74/562923974.db2.gz HQAKEXUTVHEVBV-KRWDZBQOSA-N 0 0 433.417 3.151 1 0 IGAFRN COc1ccc(C(=O)NC2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1OC ZINC000004908701 562943638 /nfs/dbraw/zinc/94/36/38/562943638.db2.gz GVEJCOKVPOSDNT-UHFFFAOYSA-N 0 0 425.529 3.154 3 0 IGAFRN CC(=O)O[C@@H](c1nccn1Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000005763111 562944583 /nfs/dbraw/zinc/94/45/83/562944583.db2.gz UUJOFFOYPMMDCI-YSTOQKLRSA-N 0 0 430.501 3.207 1 0 IGAFRN O=C([O-])C[NH+]1CCSc2ccccc2C[N@H+](CC(=O)[O-])CCSc2ccccc2C1 ZINC000005843512 562945090 /nfs/dbraw/zinc/94/50/90/562945090.db2.gz ANMWFBKSYJTLMJ-UHFFFAOYSA-N 0 0 446.594 3.358 1 0 IGAFRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000008034284 562948941 /nfs/dbraw/zinc/94/89/41/562948941.db2.gz FCMYNNFNLZEDLH-YIFZBPKDSA-N 0 0 436.560 3.132 3 0 IGAFRN Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCc3ccccc3C)cc1CC2 ZINC000008588919 562950967 /nfs/dbraw/zinc/95/09/67/562950967.db2.gz XMNOYJSENADXTG-UHFFFAOYSA-N 0 0 432.524 3.411 1 0 IGAFRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000008589694 562951374 /nfs/dbraw/zinc/95/13/74/562951374.db2.gz TXHFCLOWZBWNMU-HNNXBMFYSA-N 0 0 445.928 3.221 1 0 IGAFRN CC[C@@H]1CN(CCNC(=O)c2cccc(N3CCCC3=O)c2)Cc2cc(OC)ccc2O1 ZINC000011788815 562979298 /nfs/dbraw/zinc/97/92/98/562979298.db2.gz MDCRVYNAVPMZMZ-OAQYLSRUSA-N 0 0 437.540 3.225 1 0 IGAFRN COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 ZINC000012480072 562982442 /nfs/dbraw/zinc/98/24/42/562982442.db2.gz PBZINSIAANDJFZ-FXAWDEMLSA-N 0 0 446.569 3.296 3 0 IGAFRN COc1ccc(CCN2C[C@@H](C(=O)N(C)Cc3ccc4nsnc4c3)CCC2=O)cc1 ZINC000012744220 562983069 /nfs/dbraw/zinc/98/30/69/562983069.db2.gz CTRIUKCFBAUNNE-SFHVURJKSA-N 0 0 438.553 3.140 3 0 IGAFRN COc1cccc(N(C(=O)[C@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150665 562985418 /nfs/dbraw/zinc/98/54/18/562985418.db2.gz FVCCKRYWICTWQP-OXQOHEQNSA-N 0 0 441.553 3.359 3 0 IGAFRN COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1OC ZINC000013441805 562986381 /nfs/dbraw/zinc/98/63/81/562986381.db2.gz ZFFDPMCCPRBYOG-FQEVSTJZSA-N 0 0 447.553 3.423 1 0 IGAFRN COc1cc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000013441803 562986456 /nfs/dbraw/zinc/98/64/56/562986456.db2.gz LXJWRDCPNBWJHG-JOCHJYFZSA-N 0 0 447.553 3.423 1 0 IGAFRN CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CF ZINC000013606565 562997365 /nfs/dbraw/zinc/99/73/65/562997365.db2.gz HFRHUAYUFHVXNZ-SFTDATJTSA-N 0 0 427.520 3.167 1 0 IGAFRN CN(Cc1nc2c(s1)CCCC2)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000013636612 562998332 /nfs/dbraw/zinc/99/83/32/562998332.db2.gz HCUCJTMRTDIWJS-UHFFFAOYSA-N 0 0 426.498 3.392 3 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C@@H](O)c1nccs1 ZINC000013738809 563002895 /nfs/dbraw/zinc/00/28/95/563002895.db2.gz APRVRUVZWFSCQI-IRFCIJBXSA-N 0 0 427.570 3.181 1 0 IGAFRN COc1ccccc1N1CCN(CCN(C)C(=O)[C@H]2CCCc3c(OC)cccc32)CC1 ZINC000013757331 563004561 /nfs/dbraw/zinc/00/45/61/563004561.db2.gz ZHOHSCVJNOKADU-QFIPXVFZSA-N 0 0 437.584 3.404 1 0 IGAFRN O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1 ZINC000013859883 563012383 /nfs/dbraw/zinc/01/23/83/563012383.db2.gz YFHPQEMWPYAXGG-IBGZPJMESA-N 0 0 446.544 3.240 1 0 IGAFRN CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1 ZINC000014955589 563015834 /nfs/dbraw/zinc/01/58/34/563015834.db2.gz KXBOKGPWEVCLQK-UHFFFAOYSA-N 0 0 449.515 3.320 1 0 IGAFRN COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(O)c1OC ZINC000015044809 563017471 /nfs/dbraw/zinc/01/74/71/563017471.db2.gz AEHBVQHJSNELOD-UFAGZECESA-N 0 0 432.469 3.376 1 0 IGAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(CC)C(=O)N(c3cccc(F)c3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000015936651 563018894 /nfs/dbraw/zinc/01/88/94/563018894.db2.gz JXZCVEVYRAPCGH-KYCQWFEFSA-N 0 0 449.482 3.428 3 0 IGAFRN COc1ccc([C@]23C(=O)c4ccccc4N2Oc2c(O)n(-c4ccccc4)c(O)c23)cc1 ZINC000017195346 563021555 /nfs/dbraw/zinc/02/15/55/563021555.db2.gz XTUDEHARSIPFDI-BKSPAHHJSA-N 0 0 426.428 3.097 1 0 IGAFRN CCOP(=O)(OCC)[C@](C)(CC)NC1=NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1 ZINC000017254621 563021920 /nfs/dbraw/zinc/02/19/20/563021920.db2.gz BGMLAPJXCULMRW-SNVBAGLBSA-N 0 0 442.297 3.458 1 0 IGAFRN CSCC[C@@H](NC(=O)[C@H](CSC(=O)c1ccccc1)Cc1ccccc1)C(N)=O ZINC000026501451 563032763 /nfs/dbraw/zinc/03/27/63/563032763.db2.gz ZYVRYKRQCQNQFH-RBUKOAKNSA-N 0 0 430.595 3.142 1 0 IGAFRN CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21 ZINC000026950108 563038148 /nfs/dbraw/zinc/03/81/48/563038148.db2.gz JGYXFAVLGHCXQK-WFXMLNOXSA-N 0 0 425.529 3.239 1 0 IGAFRN CCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC ZINC000027094016 563039422 /nfs/dbraw/zinc/03/94/22/563039422.db2.gz YKHIXAGPCBUIAJ-RTBURBONSA-N 0 0 434.533 3.135 1 0 IGAFRN [NH3+]C[C@]1(c2ccccc2)CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1 ZINC000027896650 563048178 /nfs/dbraw/zinc/04/81/78/563048178.db2.gz NWEUYWJKWUJMKG-XMMPIXPASA-N 0 0 439.462 3.420 1 0 IGAFRN CS(=O)(=O)c1ccc(-c2c3ccc(S(C)(=O)=O)nn3nc2-c2ccc(F)cc2)cc1 ZINC000028386785 563054244 /nfs/dbraw/zinc/05/42/44/563054244.db2.gz XQLBZTCUEJYJOB-UHFFFAOYSA-N 0 0 445.497 3.009 1 0 IGAFRN Cn1c(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000028648560 563060952 /nfs/dbraw/zinc/06/09/52/563060952.db2.gz ASHOPOCBCQSTCJ-SNAWJCMRSA-N 0 0 432.324 3.179 1 0 IGAFRN CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c-3n[nH]c2-c2ccc(O)cc2)C(=O)O1 ZINC000028949204 563069439 /nfs/dbraw/zinc/06/94/39/563069439.db2.gz DWBNMBDPTGJZMY-IBGZPJMESA-N 0 0 432.480 3.399 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2c(F)cccc2F)O1 ZINC000028974563 563071413 /nfs/dbraw/zinc/07/14/13/563071413.db2.gz ZVUOMJLSRAHNAK-YBKRRLQSSA-N 0 0 425.332 3.032 1 0 IGAFRN COc1cc2nc(N3CCC(C(=O)N4[C@H](C)CCC[C@H]4C)CC3)nc(N)c2cc1OC ZINC000029222587 563076832 /nfs/dbraw/zinc/07/68/32/563076832.db2.gz BNELLZJFEBVBPQ-HUUCEWRRSA-N 0 0 427.549 3.235 1 0 IGAFRN Cc1ccc(NC(=O)C[C@@H]2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1 ZINC000029323022 563077904 /nfs/dbraw/zinc/07/79/04/563077904.db2.gz HDFGVPGJSIBDOL-HNNXBMFYSA-N 0 0 428.286 3.277 1 0 IGAFRN C[C@@H](C(=O)Nc1ccccc1)[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 ZINC000029326915 563078028 /nfs/dbraw/zinc/07/80/28/563078028.db2.gz SMNDSOQZBJYLJC-BZNIZROVSA-N 0 0 428.286 3.214 1 0 IGAFRN CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccn(C)c(=O)c2)n2c1CCC2 ZINC000029408976 563079737 /nfs/dbraw/zinc/07/97/37/563079737.db2.gz HVKLYBPOISDVJG-UHFFFAOYSA-N 0 0 444.532 3.069 1 0 IGAFRN CCCNc1nc2c(ncn2C)c(NC(=O)c2cccc(I)c2)n1 ZINC000029411015 563079804 /nfs/dbraw/zinc/07/98/04/563079804.db2.gz FORRQBUVICVFDG-UHFFFAOYSA-N 0 0 436.257 3.042 1 0 IGAFRN Cc1c2sc(C(=O)NCc3ccc(Cl)cc3)cn2c(=O)n(Cc2ccccc2)c1=O ZINC000034298645 563086060 /nfs/dbraw/zinc/08/60/60/563086060.db2.gz VRIIXYBJLRKPFF-UHFFFAOYSA-N 0 0 439.924 3.463 1 0 IGAFRN COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H]1CCNC1=O ZINC000034800017 563087180 /nfs/dbraw/zinc/08/71/80/563087180.db2.gz MOFYSSKDMWISNA-QGZVFWFLSA-N 0 0 429.883 3.495 1 0 IGAFRN COc1cc(Nc2ncc3ccn(-c4cccc(-c5nn[nH]n5)c4)c3n2)cc(OC)c1OC ZINC000036348771 563093130 /nfs/dbraw/zinc/09/31/30/563093130.db2.gz QQUSOIMWYLPTFE-UHFFFAOYSA-N 0 0 444.455 3.370 1 0 IGAFRN [NH3+][C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1c1ccc(F)cc1 ZINC000038429110 563097733 /nfs/dbraw/zinc/09/77/33/563097733.db2.gz CBKGLSWJJCVAAM-MAUKXSAKSA-N 0 0 443.425 3.383 1 0 IGAFRN NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(Cl)c1 ZINC000040401594 563100885 /nfs/dbraw/zinc/10/08/85/563100885.db2.gz NJNMHHZGWZFCAU-UHFFFAOYSA-N 0 0 438.919 3.421 1 0 IGAFRN C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)nn1C ZINC000040422077 563102435 /nfs/dbraw/zinc/10/24/35/563102435.db2.gz WGQZAXVWQHFYON-GFCCVEGCSA-N 0 0 430.452 3.254 1 0 IGAFRN CCN(CC)c1nc2ccccc2c(NCCNC(=O)c2cc(OC)c(O)c(OC)c2)n1 ZINC000040465853 563103889 /nfs/dbraw/zinc/10/38/89/563103889.db2.gz PRINOMSJPSUEFE-UHFFFAOYSA-N 0 0 439.516 3.041 1 0 IGAFRN O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(CO)CC3)co2)cc1 ZINC000040567251 563105062 /nfs/dbraw/zinc/10/50/62/563105062.db2.gz VBWJJXMEOHFNFS-UHFFFAOYSA-N 0 0 433.508 3.045 1 0 IGAFRN CN(c1c2c(c(O)c3ncccc31)C(=O)N(Cc1cccc(Cl)c1F)C2)S(C)(=O)=O ZINC000040845523 563107364 /nfs/dbraw/zinc/10/73/64/563107364.db2.gz ICURCJQMZRIVGC-UHFFFAOYSA-N 0 0 449.891 3.285 1 0 IGAFRN O=S(=O)(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000040862505 563108264 /nfs/dbraw/zinc/10/82/64/563108264.db2.gz WUWQLCINLBWEDJ-UHFFFAOYSA-N 0 0 449.617 3.003 1 0 IGAFRN COc1ccc(Cc2cc(C3CCN(C(=O)c4cccc5c4OCO5)CC3)nc(N)n2)cc1 ZINC000040873276 563109095 /nfs/dbraw/zinc/10/90/95/563109095.db2.gz WCWYKPOKKGUICI-UHFFFAOYSA-N 0 0 446.507 3.407 1 0 IGAFRN CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccc4ccccc4n3)C(=O)O2)cc1 ZINC000040896394 563110472 /nfs/dbraw/zinc/11/04/72/563110472.db2.gz QKLKBJXBLVSOJG-XDCGKPNXSA-N 0 0 432.476 3.219 1 0 IGAFRN Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCCOC(C)C)cc3)n2)n1C ZINC000040943310 563113600 /nfs/dbraw/zinc/11/36/00/563113600.db2.gz YDAZSMGTKCIGJO-UHFFFAOYSA-N 0 0 444.561 3.023 1 0 IGAFRN Cc1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)s1 ZINC000043200595 563119338 /nfs/dbraw/zinc/11/93/38/563119338.db2.gz NOLJFJNOWXBGKG-NSHDSACASA-N 0 0 434.476 3.063 1 0 IGAFRN O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1 ZINC000043203063 563119442 /nfs/dbraw/zinc/11/94/42/563119442.db2.gz RSPGODWWHKNLIZ-QFIPXVFZSA-N 0 0 448.498 3.178 1 0 IGAFRN COc1cccc(COC[C@@H](O)CN(CCc2ccccn2)C(=O)c2ccccc2F)c1 ZINC000045189136 563123257 /nfs/dbraw/zinc/12/32/57/563123257.db2.gz GYCALUMSSHGFLH-NRFANRHFSA-N 0 0 438.499 3.492 1 0 IGAFRN O=C1N[C@@H](c2ccccc2)C2(CC[NH+](C[C@H](O)COc3cccc4ncccc43)CC2)O1 ZINC000045193726 563124092 /nfs/dbraw/zinc/12/40/92/563124092.db2.gz LHRKAYAQNMWYGP-CVDCTZTESA-N 0 0 433.508 3.290 1 0 IGAFRN COc1ccc(CNC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(OC)cc4)n3)C2)cc1 ZINC000045195168 563124502 /nfs/dbraw/zinc/12/45/02/563124502.db2.gz NLZFLYXUYNIEBG-IBGZPJMESA-N 0 0 448.527 3.316 1 0 IGAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2COCCO)c1 ZINC000045253045 563126750 /nfs/dbraw/zinc/12/67/50/563126750.db2.gz PMQMDSZPADIWHL-UHFFFAOYSA-N 0 0 429.254 3.206 1 0 IGAFRN Cc1c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1 ZINC000045261365 563127810 /nfs/dbraw/zinc/12/78/10/563127810.db2.gz UZIFKODROZEAAF-AEFFLSMTSA-N 0 0 434.496 3.185 1 0 IGAFRN COc1cc2cccnc2c(N(C(C)=O)[C@H](C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c1 ZINC000045316759 563129974 /nfs/dbraw/zinc/12/99/74/563129974.db2.gz VGINQQNRFGRYCP-MRXNPFEDSA-N 0 0 440.544 3.192 1 0 IGAFRN CCCc1nc(-c2ccccc2)oc1C(=O)N[C@H](C)CN1CCN(c2ncccn2)CC1 ZINC000045392138 563134160 /nfs/dbraw/zinc/13/41/60/563134160.db2.gz YPQGHFUUPYKNGV-GOSISDBHSA-N 0 0 434.544 3.025 1 0 IGAFRN COc1cccc(CC(=O)Nc2cc(Br)ccc2OCCN2CCOCC2)c1 ZINC000058540878 563144212 /nfs/dbraw/zinc/14/42/12/563144212.db2.gz XOOXVVBPLQFXPZ-UHFFFAOYSA-N 0 0 449.345 3.350 1 0 IGAFRN O=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 ZINC000058575367 563144739 /nfs/dbraw/zinc/14/47/39/563144739.db2.gz KXJSNGUMWGPTMJ-KRWDZBQOSA-N 0 0 447.478 3.215 1 0 IGAFRN CC(C)OC(=O)N1CCC[C@H](Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1 ZINC000059068238 563146144 /nfs/dbraw/zinc/14/61/44/563146144.db2.gz DRWSBUQCWOFAFF-SFHVURJKSA-N 0 0 448.541 3.019 1 0 IGAFRN CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860187 563146836 /nfs/dbraw/zinc/14/68/36/563146836.db2.gz PKCCKZIQHMGGEH-SJLPKXTDSA-N 0 0 427.578 3.125 3 0 IGAFRN CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)no1 ZINC000061905919 563148504 /nfs/dbraw/zinc/14/85/04/563148504.db2.gz OMQZKPXINSHKAL-OAHLLOKOSA-N 0 0 432.329 3.398 3 0 IGAFRN COc1ccc(CCCNC(=O)[C@@]2(C)Cc3c(nccc3-c3ccc(C(N)=O)cc3)O2)cc1 ZINC000061906583 563148657 /nfs/dbraw/zinc/14/86/57/563148657.db2.gz ZNYPMXZMAUTFMM-AREMUKBSSA-N 0 0 445.519 3.299 3 0 IGAFRN C[C@@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000061949674 563151852 /nfs/dbraw/zinc/15/18/52/563151852.db2.gz DNPUXVLTCAUWNA-MRXNPFEDSA-N 0 0 443.548 3.326 3 0 IGAFRN CCN(CC)c1ccc(C2=NN(C(=O)CO)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000064361626 563152726 /nfs/dbraw/zinc/15/27/26/563152726.db2.gz WJZOODGPEUXWRA-HXUWFJFHSA-N 0 0 441.528 3.229 1 0 IGAFRN COc1ccc(C(=O)NCCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2)cc1 ZINC000064559356 563155965 /nfs/dbraw/zinc/15/59/65/563155965.db2.gz OSQGNNWFZLIJSJ-UHFFFAOYSA-N 0 0 449.532 3.471 1 0 IGAFRN CCCCN1CC2(CN1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCC2=O ZINC000066101392 563158361 /nfs/dbraw/zinc/15/83/61/563158361.db2.gz RBVVPETZPXUZOD-UHFFFAOYSA-N 0 0 444.539 3.285 1 0 IGAFRN O[C@@H]1[C@@H](O)[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)O[C@H](CF)[C@H]1O ZINC000066251961 563160042 /nfs/dbraw/zinc/16/00/42/563160042.db2.gz FGQFKXHQFWQZRX-QSWMPLQWSA-N 0 0 439.892 3.139 1 0 IGAFRN CN1CCN(c2ccc3c(c2)N(S(=O)(=O)c2ccc4ccccc4c2)CCC3=O)CC1 ZINC000066259027 563160425 /nfs/dbraw/zinc/16/04/25/563160425.db2.gz YLSBAGZHIBFNRL-UHFFFAOYSA-N 0 0 435.549 3.373 1 0 IGAFRN COc1ccc(-c2cnc3nc(N)nc(N4CCN(c5ccccc5)CC4)c3n2)cc1OC ZINC000066258902 563160433 /nfs/dbraw/zinc/16/04/33/563160433.db2.gz DENPTXVPDLTOBD-UHFFFAOYSA-N 0 0 443.511 3.013 1 0 IGAFRN O=c1[nH]c2cc(-c3ccco3)[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1 ZINC000072112003 563163425 /nfs/dbraw/zinc/16/34/25/563163425.db2.gz PMHFWJIDPYJKAF-UHFFFAOYSA-N 0 0 439.903 3.166 1 0 IGAFRN COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@H]2C ZINC000072142896 563164868 /nfs/dbraw/zinc/16/48/68/563164868.db2.gz CGCDOVOCJQXOOK-QTTRIFOMSA-N 0 0 434.441 3.369 1 0 IGAFRN O=C(Nc1ccccc1)N1C[C@H](C(=O)N2CC[C@@H](O)C2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000072177978 563166088 /nfs/dbraw/zinc/16/60/88/563166088.db2.gz YGQOORWVQMHJON-LYHRCORUSA-N 0 0 442.519 3.233 1 0 IGAFRN COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2ccc(F)cn2)ccc1-n1cnc(C)c1 ZINC000073198294 563169980 /nfs/dbraw/zinc/16/99/80/563169980.db2.gz BWRYOPQHNVLWIK-FBGPZHRUSA-N 0 0 449.486 3.392 1 0 IGAFRN O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1 ZINC000073274654 563171599 /nfs/dbraw/zinc/17/15/99/563171599.db2.gz MUJWZHBKJMSDHD-UHFFFAOYSA-N 0 0 444.988 3.379 1 0 IGAFRN CCOC(=O)C(C(=O)OCC)c1c(Cl)cnn(Cc2cccc3ccccc32)c1=O ZINC000073316453 563172471 /nfs/dbraw/zinc/17/24/71/563172471.db2.gz BRVRNNCTGPTWPK-UHFFFAOYSA-N 0 0 428.872 3.308 1 0 IGAFRN COC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O ZINC000084672060 563175497 /nfs/dbraw/zinc/17/54/97/563175497.db2.gz ZNUWSJDCVRLYLU-VIJYTYGRSA-N 0 0 448.468 3.220 1 0 IGAFRN Cc1ccsc1C(=O)N1CC[C@@H](O)[C@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000084689068 563176121 /nfs/dbraw/zinc/17/61/21/563176121.db2.gz VUCRRYLATHVUNK-WOJBJXKFSA-N 0 0 430.545 3.366 1 0 IGAFRN C[C@@H](Nc1ncnc2cc3oc(=O)n(CCCN4CCOCC4)c3cc21)c1ccccc1 ZINC000084726104 563178207 /nfs/dbraw/zinc/17/82/07/563178207.db2.gz MYTTUHJKUWGZNX-QGZVFWFLSA-N 0 0 433.512 3.433 1 0 IGAFRN COC(=O)c1ncn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 ZINC000084728846 563178283 /nfs/dbraw/zinc/17/82/83/563178283.db2.gz PLWWAHUDUYWZIE-UNOMPAQXSA-N 0 0 447.447 3.151 1 0 IGAFRN O=C([O-])c1cc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)c2ccccn2c1=O ZINC000084728960 563178411 /nfs/dbraw/zinc/17/84/11/563178411.db2.gz OVCSQIAOKIOEKZ-UHFFFAOYSA-N 0 0 442.313 3.082 1 0 IGAFRN CN1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1=O ZINC000095556257 563181568 /nfs/dbraw/zinc/18/15/68/563181568.db2.gz POFVCANAWDSVAY-UHFFFAOYSA-N 0 0 426.782 3.181 1 0 IGAFRN CCOC(=O)[C@@H]1[C@H](c2cccnc2)c2c(=O)oc3ccccc3c2O[C@]1(O)C(F)(F)F ZINC000095563749 563183003 /nfs/dbraw/zinc/18/30/03/563183003.db2.gz YWAXFLVENYPTCU-IIMJZQEZSA-N 0 0 435.354 3.143 1 0 IGAFRN COc1cc(N2CCN(C(=O)Cn3nc(C(C)(C)O)c(Cl)c3C)CC2)ccc1Cl ZINC000095583737 563188409 /nfs/dbraw/zinc/18/84/09/563188409.db2.gz COYLRJDCJLFLMR-UHFFFAOYSA-N 0 0 441.359 3.083 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCCc2cccc(F)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598290 563192064 /nfs/dbraw/zinc/19/20/64/563192064.db2.gz FGYGZZYLVLLNNY-KOSHJBKYSA-N 0 0 445.487 3.247 1 0 IGAFRN CSCC[C@@H](c1nnnn1C(C)(C)C)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095599184 563192421 /nfs/dbraw/zinc/19/24/21/563192421.db2.gz PNWCKQBWACVCQN-SFHVURJKSA-N 0 0 429.594 3.202 3 0 IGAFRN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2Cc2ccccc2)cc1OC ZINC000095600828 563192632 /nfs/dbraw/zinc/19/26/32/563192632.db2.gz AJRZZUXPGWOPID-HSZRJFAPSA-N 0 0 441.491 3.484 3 0 IGAFRN O=C(Nc1ccc(F)cc1)N1[C@H]2CN(C(=O)c3cccnc3)c3ccccc3[C@H]2[C@H]1CO ZINC000095604558 563193730 /nfs/dbraw/zinc/19/37/30/563193730.db2.gz PDGXJBUIUMMCTA-BHDDXSALSA-N 0 0 432.455 3.242 1 0 IGAFRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000095755334 563194445 /nfs/dbraw/zinc/19/44/45/563194445.db2.gz RDUGMXCQARVJSN-INIZCTEOSA-N 0 0 442.539 3.088 1 0 IGAFRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)C1CCCCC1 ZINC000095755332 563194463 /nfs/dbraw/zinc/19/44/63/563194463.db2.gz XHKLKPJMYHJUTQ-INIZCTEOSA-N 0 0 442.539 3.088 1 0 IGAFRN O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866240 563194609 /nfs/dbraw/zinc/19/46/09/563194609.db2.gz YVTZPJABQANEHK-CUYJMHBOSA-N 0 0 430.479 3.304 1 0 IGAFRN COc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 ZINC000096283388 563197164 /nfs/dbraw/zinc/19/71/64/563197164.db2.gz ZXUGLISADYYLBK-UHFFFAOYSA-N 0 0 447.539 3.156 1 0 in-vitro IGAFRN CNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc21 ZINC000096283391 563197170 /nfs/dbraw/zinc/19/71/70/563197170.db2.gz FMDTZKACBQCRLG-UHFFFAOYSA-N 0 0 446.555 3.189 1 0 IGAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cccnc2)nc2sc(C)cn21 ZINC000096906073 563197603 /nfs/dbraw/zinc/19/76/03/563197603.db2.gz JYBYAFRBMWDAFK-UHFFFAOYSA-N 0 0 438.509 3.347 1 0 IGAFRN CNC(=O)CN(C)CCOc1cc2c(cc1OC)ncnc2Nc1cccc(Cl)c1F ZINC000096911239 563197878 /nfs/dbraw/zinc/19/78/78/563197878.db2.gz PHPRUZDQYDIXGT-UHFFFAOYSA-N 0 0 447.898 3.231 1 0 IGAFRN CS(=O)(=O)Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 ZINC000096928681 563198379 /nfs/dbraw/zinc/19/83/79/563198379.db2.gz OJIQMVWKCDIBCD-UHFFFAOYSA-N 0 0 443.312 3.361 1 0 IGAFRN Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1 ZINC000098082523 563200563 /nfs/dbraw/zinc/20/05/63/563200563.db2.gz FZIGIJKXZSAYKL-UHFFFAOYSA-N 0 0 440.912 3.100 1 0 IGAFRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211051 132308872 /nfs/dbraw/zinc/30/88/72/132308872.db2.gz HLGUSANISRNTAH-AWEZNQCLSA-N 0 0 425.924 3.456 3 0 IGAFRN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000002908630 562930457 /nfs/dbraw/zinc/93/04/57/562930457.db2.gz ACGSDORDPFKNJN-MRXNPFEDSA-N 0 0 429.567 3.202 3 0 IGAFRN CSc1ncccc1C(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003536403 562936437 /nfs/dbraw/zinc/93/64/37/562936437.db2.gz NXVFCXUDWGFPOK-UHFFFAOYSA-N 0 0 434.539 3.018 3 0 IGAFRN COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1Cl ZINC000003814714 562938535 /nfs/dbraw/zinc/93/85/35/562938535.db2.gz MEBSTASXWKTLJD-UHFFFAOYSA-N 0 0 426.281 3.280 1 0 IGAFRN Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)C(C)(C)C)c2=O)cc1 ZINC000008593956 562952940 /nfs/dbraw/zinc/95/29/40/562952940.db2.gz IFSLITJNFPNTSW-UHFFFAOYSA-N 0 0 449.551 3.183 1 0 IGAFRN COCCNC(=O)c1c(CSc2ccc(F)cc2)noc1C(=O)NCc1ccccc1 ZINC000008691393 562963447 /nfs/dbraw/zinc/96/34/47/562963447.db2.gz VORRBGBKWZSHFA-UHFFFAOYSA-N 0 0 443.500 3.412 3 0 IGAFRN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C)c2)C1 ZINC000008911928 562965920 /nfs/dbraw/zinc/96/59/20/562965920.db2.gz LDIQVUSSSHHIIX-FQEVSTJZSA-N 0 0 445.585 3.103 3 0 IGAFRN Cc1oc(-c2ccccc2NC(=O)[C@@H]2CCCO2)nc1CNC(=O)c1cc(C)nc(C)n1 ZINC000011975770 562980078 /nfs/dbraw/zinc/98/00/78/562980078.db2.gz YWKAIXSAUOHKNQ-FQEVSTJZSA-N 0 0 435.484 3.104 1 0 IGAFRN COC(=O)c1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ccc(C(=O)OC)cn4)c3O2)cc1 ZINC000012079537 562980652 /nfs/dbraw/zinc/98/06/52/562980652.db2.gz PBLOOOHGRYHKEY-LJQANCHMSA-N 0 0 446.459 3.055 1 0 IGAFRN NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc32)cn1 ZINC000012153009 562980951 /nfs/dbraw/zinc/98/09/51/562980951.db2.gz GUYYFMCFEPDDFL-OAQYLSRUSA-N 0 0 445.523 3.132 1 0 in-vivo IGAFRN O=C(C1CCN(c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1)N1CCCCC1 ZINC000012479934 562982455 /nfs/dbraw/zinc/98/24/55/562982455.db2.gz OHOAVZWKGZHXNU-UHFFFAOYSA-N 0 0 438.549 3.293 3 0 IGAFRN Cc1oc(NC(=O)COC(=O)C=Cc2cccc(C(F)(F)F)c2)c2c1c(C)n[nH]c2=O ZINC000013006048 562983984 /nfs/dbraw/zinc/98/39/84/562983984.db2.gz ZZZDZHAQLWVCHH-VOTSOKGWSA-N 0 0 435.358 3.347 3 0 IGAFRN COc1cccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150663 562985456 /nfs/dbraw/zinc/98/54/56/562985456.db2.gz FVCCKRYWICTWQP-OXJNMPFZSA-N 0 0 441.553 3.359 3 0 IGAFRN O=c1[nH]c2c(s1)c(CC[NH2+]CCSCCCOCCc1ccccn1)ccc2[O-] ZINC000013524304 562991565 /nfs/dbraw/zinc/99/15/65/562991565.db2.gz RMLOOETVTWWYAG-UHFFFAOYSA-N 0 0 433.599 3.205 1 0 IGAFRN O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCn1cc2c2ccccc21 ZINC000013526849 562991698 /nfs/dbraw/zinc/99/16/98/562991698.db2.gz BIGPNLBOTAHTOI-UHFFFAOYSA-N 0 0 441.487 3.210 1 0 IGAFRN COC[C@@H]1O[C@@H](n2cc(-c3ccccc3)c3c2ncnc3Nc2ccccc2)[C@H](O)[C@@H]1O ZINC000013528445 562991855 /nfs/dbraw/zinc/99/18/55/562991855.db2.gz BOICILQLTBEVHZ-RPLOAYLJSA-N 0 0 432.480 3.108 1 0 IGAFRN CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCO[N+](=O)[O-])nn2-c2ccccc2)cc1 ZINC000013560529 562994248 /nfs/dbraw/zinc/99/42/48/562994248.db2.gz UIRWOKUMVPOUFS-UHFFFAOYSA-N 0 0 429.454 3.114 1 0 IGAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000013561155 562994268 /nfs/dbraw/zinc/99/42/68/562994268.db2.gz YBHBUGPAORYSHF-MCGGYZEXSA-N 0 0 448.412 3.330 1 0 IGAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cccc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000013561153 562994276 /nfs/dbraw/zinc/99/42/76/562994276.db2.gz UFZMRGCCVPDARB-CKVARHJQSA-N 0 0 448.412 3.330 1 0 IGAFRN CCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1 ZINC000013589005 562996184 /nfs/dbraw/zinc/99/61/84/562996184.db2.gz XGTUABCJBUFKQG-UHFFFAOYSA-N 0 0 425.432 3.260 1 0 IGAFRN O=C1C[C@@]2(C(=O)N1)c1cc(Cl)ccc1C(=O)N2Cc1ccc(Br)cc1F ZINC000013651390 562999189 /nfs/dbraw/zinc/99/91/89/562999189.db2.gz BVZOQHDKUIMGGL-SFHVURJKSA-N 0 0 437.652 3.139 1 0 IGAFRN CCCn1c2cc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2c(=O)n(C)c1=O ZINC000013678832 563000742 /nfs/dbraw/zinc/00/07/42/563000742.db2.gz PGTXFPCYELLJBT-UHFFFAOYSA-N 0 0 432.480 3.123 1 0 IGAFRN CC[S@](=O)CC[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746888 563004169 /nfs/dbraw/zinc/00/41/69/563004169.db2.gz QEYLNCFKHHSXKD-AQESEFOUSA-N 0 0 445.537 3.034 1 0 IGAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C ZINC000013863102 563013311 /nfs/dbraw/zinc/01/33/11/563013311.db2.gz SAIANZNAZKQKDP-UHFFFAOYSA-N 0 0 443.452 3.035 1 0 IGAFRN O=C(NCCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000015936457 563018777 /nfs/dbraw/zinc/01/87/77/563018777.db2.gz ZRDYACMNVVGNLE-OAHLLOKOSA-N 0 0 428.895 3.453 3 0 IGAFRN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@H](C)C[C@H](C)C4)c3C2=O)CC1 ZINC000018118242 563022232 /nfs/dbraw/zinc/02/22/32/563022232.db2.gz HSUVXHUKZJJVAT-CALCHBBNSA-N 0 0 427.545 3.381 3 0 IGAFRN O=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026376998 563031198 /nfs/dbraw/zinc/03/11/98/563031198.db2.gz MYVPKBWFYFYMBK-JTHBVZDNSA-N 0 0 426.511 3.184 1 0 IGAFRN CC(C)n1cnc2c1nc(NC[C@H](O)CO)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000026664440 563035102 /nfs/dbraw/zinc/03/51/02/563035102.db2.gz PLJOJDPNUGVHAF-FQEVSTJZSA-N 0 0 432.528 3.451 1 0 IGAFRN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 ZINC000026840040 563037403 /nfs/dbraw/zinc/03/74/03/563037403.db2.gz NNULNULBQFJNGI-DEOSSOPVSA-N 0 0 448.548 3.296 1 0 IGAFRN O=C(OCc1ccccc1)[C@H]1CC[C@H]2[C@H]1CC(=O)N2S(=O)(=O)/C=C/c1ccccc1 ZINC000027518107 563042515 /nfs/dbraw/zinc/04/25/15/563042515.db2.gz MJZSGIMAFAFHOR-XHTVIRLASA-N 0 0 425.506 3.358 1 0 IGAFRN Cc1cc(Br)ccc1CN1[C@]2(CC(=O)NC2=O)c2ccccc2S1(=O)=O ZINC000027524006 563043000 /nfs/dbraw/zinc/04/30/00/563043000.db2.gz IDNRSIWGGUVUAV-GOSISDBHSA-N 0 0 435.299 3.044 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2cc(F)cc(F)c2)CCO1 ZINC000027657857 563045429 /nfs/dbraw/zinc/04/54/29/563045429.db2.gz ZAAVUNPFHZFKOA-INIZCTEOSA-N 0 0 439.890 3.230 1 0 IGAFRN COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O ZINC000028120482 563051018 /nfs/dbraw/zinc/05/10/18/563051018.db2.gz KFVUSZPWUZBAPF-JSDJLVNFSA-N 0 0 434.485 3.058 1 0 IGAFRN C[C@@H]1[C@@H]([NH3+])CN1c1c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3F)c2c1Cl ZINC000028224251 563051840 /nfs/dbraw/zinc/05/18/40/563051840.db2.gz MGBPVANPCHUGII-CLAHSXSESA-N 0 0 437.805 3.295 1 0 IGAFRN COc1cccc(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 ZINC000028396803 563054662 /nfs/dbraw/zinc/05/46/62/563054662.db2.gz UGTJQEGHVHSHHW-UHFFFAOYSA-N 0 0 445.566 3.472 1 0 IGAFRN Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(-n2cnc3ccccc32)n1 ZINC000028604179 563059651 /nfs/dbraw/zinc/05/96/51/563059651.db2.gz LEJLOLDFFUBEFB-UHFFFAOYSA-N 0 0 445.527 3.317 1 0 IGAFRN O=C(NCN1CCC(c2cccc[n+]2[O-])CC1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000028604405 563059772 /nfs/dbraw/zinc/05/97/72/563059772.db2.gz LVEQBMOMLJYAIK-UHFFFAOYSA-N 0 0 429.826 3.439 1 0 IGAFRN CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)NCc1ccccc1F ZINC000028702151 563061518 /nfs/dbraw/zinc/06/15/18/563061518.db2.gz XRNKPYBIGCAELZ-IBGZPJMESA-N 0 0 426.448 3.254 1 0 IGAFRN Cc1cc(COc2ccc(NC(=O)[C@@H]3CCC[C@]34NC(=O)NC4=O)cc2)c2ccccc2n1 ZINC000028897321 563068852 /nfs/dbraw/zinc/06/88/52/563068852.db2.gz ACGXBTDJTWEIEW-CPJSRVTESA-N 0 0 444.491 3.439 1 0 IGAFRN COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000028957680 563070542 /nfs/dbraw/zinc/07/05/42/563070542.db2.gz HHLUAUWJQNAVGJ-GOSISDBHSA-N 0 0 440.924 3.347 1 0 IGAFRN CNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976046 563071389 /nfs/dbraw/zinc/07/13/89/563071389.db2.gz ANCQOSJSIUWCQF-GFCCVEGCSA-N 0 0 447.340 3.426 1 0 IGAFRN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)C(=O)N1CCCCC1)CC2 ZINC000029124019 563074036 /nfs/dbraw/zinc/07/40/36/563074036.db2.gz DFMMFGCBYJBMHZ-QFIPXVFZSA-N 0 0 426.488 3.330 1 0 IGAFRN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)C(=O)N1CCCC1)CC2 ZINC000029124117 563074136 /nfs/dbraw/zinc/07/41/36/563074136.db2.gz LKHHBJGPCCWJGU-NRFANRHFSA-N 0 0 428.916 3.454 1 0 IGAFRN CS(=O)(=O)c1ccc(-c2noc([C@@H](CCO)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1 ZINC000029126622 563074732 /nfs/dbraw/zinc/07/47/32/563074732.db2.gz LXJJZJQWGZOQFP-YOEHRIQHSA-N 0 0 443.928 3.384 1 0 IGAFRN Cc1csc2c1ncnc2N[C@@H](C)CN1CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000029126985 563074769 /nfs/dbraw/zinc/07/47/69/563074769.db2.gz VIUTTWGGNDLTID-KRWDZBQOSA-N 0 0 445.614 3.115 1 0 IGAFRN COc1ccc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000029129371 563075439 /nfs/dbraw/zinc/07/54/39/563075439.db2.gz ANSGENIAQXWYPA-IBGZPJMESA-N 0 0 440.924 3.347 1 0 IGAFRN OC[C@@H]1CC=C[C@H]1n1cnc2c1ncnc2NCc1ccccc1I ZINC000029132060 563075737 /nfs/dbraw/zinc/07/57/37/563075737.db2.gz HNEJDCMBAFNXAC-DZGCQCFKSA-N 0 0 447.280 3.153 1 0 IGAFRN OC[C@H]1CC=C[C@@H]1n1cnc2c1ncnc2NCc1ccccc1I ZINC000029132058 563075783 /nfs/dbraw/zinc/07/57/83/563075783.db2.gz HNEJDCMBAFNXAC-HIFRSBDPSA-N 0 0 447.280 3.153 1 0 IGAFRN CCO[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]21)OCO3 ZINC000029336154 563078306 /nfs/dbraw/zinc/07/83/06/563078306.db2.gz XWWKNDVCCMQSIV-POHZVDBMSA-N 0 0 428.437 3.150 1 0 IGAFRN COc1ccc([C@@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC ZINC000031900938 563083768 /nfs/dbraw/zinc/08/37/68/563083768.db2.gz GVZPMSFHNAIPPW-LNZPYGSCSA-N 0 0 428.481 3.346 1 0 IGAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1 ZINC000033965068 563085083 /nfs/dbraw/zinc/08/50/83/563085083.db2.gz PECPBMYKIMRBPK-UHFFFAOYSA-N 0 0 430.570 3.199 1 0 IGAFRN O=C(NC(=O)c1ccccc1)Nc1ccc([S@](=O)c2ncc(Br)cn2)cc1 ZINC000034642841 563086834 /nfs/dbraw/zinc/08/68/34/563086834.db2.gz GUALLGCDXJOMHQ-HHHXNRCGSA-N 0 0 445.298 3.368 1 0 IGAFRN CCCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 ZINC000034776346 563087072 /nfs/dbraw/zinc/08/70/72/563087072.db2.gz GODQVOUTCHZIOJ-QGZVFWFLSA-N 0 0 428.553 3.487 1 0 IGAFRN COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1O ZINC000035933997 563090429 /nfs/dbraw/zinc/09/04/29/563090429.db2.gz VGMOUMWYTMZSAT-PGICJIBASA-N 0 0 432.469 3.376 1 0 IGAFRN COCCNC(=O)c1cc(-c2ccccc2)n(C[C@H]2CC(c3ccc(OC)cc3)=NO2)n1 ZINC000036384166 563094308 /nfs/dbraw/zinc/09/43/08/563094308.db2.gz JAFBRFLGXQYFIY-HXUWFJFHSA-N 0 0 434.496 3.128 3 0 IGAFRN CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C ZINC000036387210 563094655 /nfs/dbraw/zinc/09/46/55/563094655.db2.gz JWXASWLWWMDCBZ-CMMZHZMSSA-N 0 0 442.418 3.061 3 0 IGAFRN C[C@@H](CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2cc[nH]n2)c1 ZINC000038210420 563096959 /nfs/dbraw/zinc/09/69/59/563096959.db2.gz KIPZZZALTNYLEP-HNNXBMFYSA-N 0 0 436.468 3.060 1 0 IGAFRN C[C@@H]1N=C(c2cccc(S(C)(=O)=O)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000038449938 563097729 /nfs/dbraw/zinc/09/77/29/563097729.db2.gz HBSAUESUTTXZJO-FPTDNZKUSA-N 0 0 427.476 3.445 1 0 IGAFRN COc1cc(COC(C)=O)c(-c2cc3c(cc2COC(C)=O)OCO3)c(OC)c1OC ZINC000040407658 563101399 /nfs/dbraw/zinc/10/13/99/563101399.db2.gz GVHNTBMCAMRCGV-UHFFFAOYSA-N 0 0 432.425 3.234 1 0 IGAFRN CC(=O)OC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3CC[C@@]12C ZINC000040576489 563105297 /nfs/dbraw/zinc/10/52/97/563105297.db2.gz LNNWPEOCROHIMA-KPZRBPSZSA-N 0 0 446.496 3.390 1 0 IGAFRN CCCC[C@@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)N1CCC(C(N)=O)CC1 ZINC000040862528 563108303 /nfs/dbraw/zinc/10/83/03/563108303.db2.gz LEJXHIIPDYQNIM-LJQANCHMSA-N 0 0 444.601 3.352 1 0 IGAFRN CN(c1c2c(c(O)c3ncccc31)C(=O)N(Cc1ccc(F)c(Cl)c1)C2)S(C)(=O)=O ZINC000040896600 563110487 /nfs/dbraw/zinc/11/04/87/563110487.db2.gz YZVOXLFZRQBAIO-UHFFFAOYSA-N 0 0 449.891 3.285 1 0 IGAFRN CCOc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 ZINC000040936641 563112819 /nfs/dbraw/zinc/11/28/19/563112819.db2.gz PPKABVGOUVBEEX-SRGWNRLKSA-N 0 0 446.496 3.206 1 0 in-vivo IGAFRN COc1ccccc1N1CCN(CCN2C(=O)[C@H]3Sc4ccccc4[C@H]3N=C2C)CC1 ZINC000040943726 563113640 /nfs/dbraw/zinc/11/36/40/563113640.db2.gz YTUVCBHWXNZHCJ-PKTZIBPZSA-N 0 0 436.581 3.293 1 0 IGAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000040957416 563114828 /nfs/dbraw/zinc/11/48/28/563114828.db2.gz KDXXOETZZWRJCY-ORYQWCPZSA-N 0 0 436.531 3.414 1 0 IGAFRN CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2CCN(C(C)=O)CC2)c(C)c1 ZINC000043010613 563116474 /nfs/dbraw/zinc/11/64/74/563116474.db2.gz NLWMVCFMTCOCEC-UHFFFAOYSA-N 0 0 436.618 3.394 1 0 IGAFRN O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000043080439 563118579 /nfs/dbraw/zinc/11/85/79/563118579.db2.gz MKERKRJWVKVELC-UHFFFAOYSA-N 0 0 449.338 3.081 1 0 IGAFRN CC(C)c1cc(C(=O)N2Cc3cccc(OCCCN4CCOCC4)c3C2)c(O)cc1O ZINC000043132779 563119068 /nfs/dbraw/zinc/11/90/68/563119068.db2.gz RKWHYDXSPNNDBR-UHFFFAOYSA-N 0 0 440.540 3.478 1 0 IGAFRN CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 ZINC000043203222 563119574 /nfs/dbraw/zinc/11/95/74/563119574.db2.gz WJNRZOPOVIDXMH-UHFFFAOYSA-N 0 0 431.562 3.234 1 0 IGAFRN C[C@H]1[NH2+]CCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)[O-])C4=O)cc21 ZINC000045257032 563127442 /nfs/dbraw/zinc/12/74/42/563127442.db2.gz CGMMFXNMEFVXNL-BDJLRTHQSA-N 0 0 431.439 3.287 1 0 IGAFRN COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1 ZINC000045393561 563134164 /nfs/dbraw/zinc/13/41/64/563134164.db2.gz IGNSUDMIGORDMP-MRXNPFEDSA-N 0 0 431.443 3.062 1 0 IGAFRN Cn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(NC(=O)CN2CCN(C)CC2)cc1 ZINC000049070696 563137707 /nfs/dbraw/zinc/13/77/07/563137707.db2.gz CIVZFJQGEPBXRU-UHFFFAOYSA-N 0 0 431.462 3.445 1 0 IGAFRN CCCN(CCC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049087727 563137996 /nfs/dbraw/zinc/13/79/96/563137996.db2.gz QWWUUAQYOYSDLW-IBGZPJMESA-N 0 0 430.520 3.187 1 0 IGAFRN COc1cc(C2(c3cc(OC)c(N)cc3OC)c3ccccc3NC2=O)c(OC)cc1N ZINC000049784785 563139674 /nfs/dbraw/zinc/13/96/74/563139674.db2.gz NWFSNVMGPWTVOZ-UHFFFAOYSA-N 0 0 435.480 3.172 1 0 IGAFRN CCN(CC)c1ccc(C2=NN(C(=O)CO)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000058583934 563145330 /nfs/dbraw/zinc/14/53/30/563145330.db2.gz WJZOODGPEUXWRA-FQEVSTJZSA-N 0 0 441.528 3.229 1 0 IGAFRN COc1ccc(NC(=O)[C@]2(C)Cc3c(nccc3-c3ccc(C(N)=O)cc3)O2)cc1OC ZINC000061906843 563148648 /nfs/dbraw/zinc/14/86/48/563148648.db2.gz ZSIXRCSJNSYKLF-DEOSSOPVSA-N 0 0 433.464 3.197 3 0 IGAFRN O=C(NCc1ccccc1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061929001 563150457 /nfs/dbraw/zinc/15/04/57/563150457.db2.gz CCKROEYKODJIIN-INIZCTEOSA-N 0 0 431.539 3.234 3 0 IGAFRN CC(C)(C)CNC(=O)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948782 563151678 /nfs/dbraw/zinc/15/16/78/563151678.db2.gz XWLKZOZRHOEJAP-UHFFFAOYSA-N 0 0 426.538 3.440 3 0 IGAFRN C[C@@H](CNC(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000066077652 563157680 /nfs/dbraw/zinc/15/76/80/563157680.db2.gz SLZVKIRSPIZHMD-INIZCTEOSA-N 0 0 438.590 3.032 1 0 IGAFRN CN(C)c1ccc(C(=O)NC/C=C/CN2CCN(c3ccccc3OCCF)CC2)cc1 ZINC000066112144 563159022 /nfs/dbraw/zinc/15/90/22/563159022.db2.gz XRCDIXVHGJBKLI-AATRIKPKSA-N 0 0 440.563 3.209 1 0 IGAFRN Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(Cl)c(S(C)(=O)=O)cc2=O)nc1 ZINC000071296096 563161693 /nfs/dbraw/zinc/16/16/93/563161693.db2.gz VTOVFAJFDHFMSW-INIZCTEOSA-N 0 0 437.949 3.369 1 0 IGAFRN C[C@@H]1CC[C@H](C(=O)NC2CCCCC2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 ZINC000071329099 563162284 /nfs/dbraw/zinc/16/22/84/563162284.db2.gz JOAWBRMGMMCJGS-ZBFHGGJFSA-N 0 0 448.575 3.238 1 0 IGAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118147 563163728 /nfs/dbraw/zinc/16/37/28/563163728.db2.gz GYYXMDRMZFGFQG-NRFANRHFSA-N 0 0 438.487 3.484 1 0 IGAFRN Cc1nnc([C@@H]2C[C@@H]3c4c[nH]nc4C[C@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000072122698 563163899 /nfs/dbraw/zinc/16/38/99/563163899.db2.gz CUGHGQZFDYOJGX-PLQHRBFRSA-N 0 0 435.962 3.457 1 0 IGAFRN O=C1NCc2[nH]c3c(ccc4cnc(-c5cccc(OCCN6CCOCC6)c5)cc34)c21 ZINC000072140834 563164530 /nfs/dbraw/zinc/16/45/30/563164530.db2.gz TUZYUHMHEXTLNB-UHFFFAOYSA-N 0 0 428.492 3.338 1 0 IGAFRN O=C(c1nn2ccccc2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073297124 563172153 /nfs/dbraw/zinc/17/21/53/563172153.db2.gz CELPFHKOYOVBDS-UHFFFAOYSA-N 0 0 449.299 3.376 1 0 IGAFRN COC(=O)c1ccccc1CCCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 ZINC000073314825 563172405 /nfs/dbraw/zinc/17/24/05/563172405.db2.gz QQPZGFOOEVEJSP-UHFFFAOYSA-N 0 0 444.491 3.078 1 0 IGAFRN CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3[nH]c(-c4cccs4)nc32)cc1 ZINC000084670753 563175225 /nfs/dbraw/zinc/17/52/25/563175225.db2.gz OALFZNFPYZQTDF-UHFFFAOYSA-N 0 0 441.538 3.030 1 0 IGAFRN COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4sccc4C)CC[C@H]3O)CC2)cc1 ZINC000084689065 563176089 /nfs/dbraw/zinc/17/60/89/563176089.db2.gz CWLJENNXCNJPSB-NHCUHLMSSA-N 0 0 442.581 3.235 1 0 IGAFRN CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCOCC5)c4)nc23)cc1 ZINC000084727460 563178236 /nfs/dbraw/zinc/17/82/36/563178236.db2.gz KCFIWVSFAVCRGS-UHFFFAOYSA-N 0 0 449.536 3.380 1 0 IGAFRN O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000084742164 563179211 /nfs/dbraw/zinc/17/92/11/563179211.db2.gz DMXUXIFFEYWPRO-GOSISDBHSA-N 0 0 428.330 3.071 1 0 IGAFRN Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)s1 ZINC000084742286 563179308 /nfs/dbraw/zinc/17/93/08/563179308.db2.gz CXTHZWJKAJLJOD-WOJBJXKFSA-N 0 0 430.545 3.366 1 0 IGAFRN CNC(=O)c1cnc(NC(=O)[C@@H](CC2CCCC2)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000095557533 563181589 /nfs/dbraw/zinc/18/15/89/563181589.db2.gz ULDSCFMLAOPXCX-INIZCTEOSA-N 0 0 435.571 3.209 1 0 IGAFRN OC[C@H]1O[C@@H](n2c3ccc(-c4ccccc4)cc3c3c2ncnc3-c2ccco2)[C@H](O)[C@@H]1O ZINC000095561223 563182353 /nfs/dbraw/zinc/18/23/53/563182353.db2.gz QQRREOBNYPQAAB-UTADQONYSA-N 0 0 443.459 3.123 1 0 IGAFRN CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000095581900 563187768 /nfs/dbraw/zinc/18/77/68/563187768.db2.gz MQHMTCNEJOYTMM-UHFFFAOYSA-N 0 0 442.025 3.130 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCc2ccc(C)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095596611 563191611 /nfs/dbraw/zinc/19/16/11/563191611.db2.gz RTVPASBYBBBJDN-MHECFPHRSA-N 0 0 427.497 3.374 1 0 IGAFRN CCOC(=O)[C@]1(C(=O)NCCc2cccc(F)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598291 563192066 /nfs/dbraw/zinc/19/20/66/563192066.db2.gz FGYGZZYLVLLNNY-MHECFPHRSA-N 0 0 445.487 3.247 1 0 IGAFRN CC(C)C[C@H]1COc2cc(N3CCN(Cc4ccccc4F)CC3)ccc2S(=O)(=O)N1 ZINC000095600075 563192599 /nfs/dbraw/zinc/19/25/99/563192599.db2.gz ULPIJLCFOAXEDZ-IBGZPJMESA-N 0 0 447.576 3.233 3 0 IGAFRN COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)c2ccc(F)cc2)c1 ZINC000095603703 563193540 /nfs/dbraw/zinc/19/35/40/563193540.db2.gz DMZOAGGJCGYILZ-KMDXXIMOSA-N 0 0 446.478 3.464 1 0 IGAFRN COc1ccc2c(c1)n(C)c1c2C2(CN(C)C2)CN(C(=O)Nc2ccccc2F)[C@H]1CO ZINC000095796106 563194544 /nfs/dbraw/zinc/19/45/44/563194544.db2.gz JDRLDWVJZSVXJL-FQEVSTJZSA-N 0 0 438.503 3.090 1 0 IGAFRN Cc1cc(-n2cnc3c2nc(N[C@@H](C)c2ccc(F)cn2)nc3NC2CCOCC2)[nH]n1 ZINC000096167843 563195241 /nfs/dbraw/zinc/19/52/41/563195241.db2.gz NLMBGKWBMKWILA-ZDUSSCGKSA-N 0 0 437.483 3.145 1 0 IGAFRN O=C(N1CCOCC1)N1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(C(F)(F)F)cc43)cc2C1 ZINC000096272947 563196816 /nfs/dbraw/zinc/19/68/16/563196816.db2.gz CJWIBINTCNTMJT-BOPFTXTBSA-N 0 0 446.429 3.337 1 0 IGAFRN CN1C[C@H](c2ccc(F)c(F)c2)[C@]2(SC(=O)NC2=S)[C@]12C(=O)Nc1ccccc12 ZINC000096903040 563197481 /nfs/dbraw/zinc/19/74/81/563197481.db2.gz GASBIZFOIXSEEH-OITMNORJSA-N 0 0 431.489 3.364 1 0 IGAFRN CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccccc32)N1C(=O)Cc1ccc(Cl)cc1 ZINC000096909013 563197669 /nfs/dbraw/zinc/19/76/69/563197669.db2.gz HVQKRUOQDUJPPS-UWJYYQICSA-N 0 0 430.913 3.195 1 0 IGAFRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3C)c(=O)n2[C@H]1c1ccccc1 ZINC000096928406 563198365 /nfs/dbraw/zinc/19/83/65/563198365.db2.gz KYJJDAUGSGPDLY-PZHBDVNGSA-N 0 0 432.545 3.415 1 0 IGAFRN O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1 ZINC000004239100 132271169 /nfs/dbraw/zinc/27/11/69/132271169.db2.gz JUWBAQPRRKPVNW-UHFFFAOYSA-N 0 0 435.434 3.017 1 0 IGAFRN O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 ZINC000004238701 132271207 /nfs/dbraw/zinc/27/12/07/132271207.db2.gz KAYLPNFSANREGV-UHFFFAOYSA-N 0 0 441.535 3.051 1 0 IGAFRN COCCNC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)C1 ZINC000020564636 523911843 /nfs/dbraw/zinc/91/18/43/523911843.db2.gz MSOPKJDHBHFOPS-MRXNPFEDSA-N 0 0 442.951 3.065 1 0 IGAFRN O=C(COC(=O)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2)Nc1ccc(Br)cc1F ZINC000012635267 526906117 /nfs/dbraw/zinc/90/61/17/526906117.db2.gz DDLPDIYWVWCNHP-ORMMXULVSA-N 0 0 426.282 3.401 1 0 IGAFRN [NH3+]C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H]1c1ccccc1 ZINC000000576416 562918179 /nfs/dbraw/zinc/91/81/79/562918179.db2.gz WOQXJNGTAUWRIE-PBHICJAKSA-N 0 0 439.462 3.492 1 0 IGAFRN O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cc(F)ccc12 ZINC000001492562 562922330 /nfs/dbraw/zinc/92/23/30/562922330.db2.gz INMJVKHEVWOUKZ-LJQANCHMSA-N 0 0 449.207 3.035 1 0 IGAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641394 562937232 /nfs/dbraw/zinc/93/72/32/562937232.db2.gz VNNRNHSLBICHPY-ZRYGEWIYSA-N 0 0 440.776 3.247 1 0 IGAFRN NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cc(F)ccc1F ZINC000003937791 562939503 /nfs/dbraw/zinc/93/95/03/562939503.db2.gz GYCGKLHRIJIJJR-UHFFFAOYSA-N 0 0 440.454 3.046 1 0 IGAFRN COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004092711 562941672 /nfs/dbraw/zinc/94/16/72/562941672.db2.gz BVVNABPDXDRMPY-UHFFFAOYSA-N 0 0 438.528 3.291 3 0 IGAFRN CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000004100581 562941804 /nfs/dbraw/zinc/94/18/04/562941804.db2.gz CCLZLJZUJJFODO-UHFFFAOYSA-N 0 0 445.585 3.068 3 0 IGAFRN OC[C@@H]1O[C@H](n2cnc3c2nc(Nc2ccc(Cl)c(Cl)c2)nc3Cl)C[C@H]1O ZINC000005822703 562944874 /nfs/dbraw/zinc/94/48/74/562944874.db2.gz HEEANCXZTNZIAU-WOPDTQHZSA-N 0 0 430.679 3.171 1 0 IGAFRN CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1 ZINC000006577060 562947400 /nfs/dbraw/zinc/94/74/00/562947400.db2.gz COCWVBMGQOWMSR-GOSISDBHSA-N 0 0 430.574 3.276 3 0 aggregator IGAFRN COc1ccc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c(OC)c1 ZINC000008614261 562959569 /nfs/dbraw/zinc/95/95/69/562959569.db2.gz GHGMEIXTZLQNGA-UHFFFAOYSA-N 0 0 432.480 3.460 1 0 IGAFRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008672789 562961082 /nfs/dbraw/zinc/96/10/82/562961082.db2.gz YXPQVXIGAQQXOH-KUHUBIRLSA-N 0 0 429.517 3.489 3 0 IGAFRN O=C(Cc1cccs1)N(c1cccnc1)[C@H](C(=O)NC[C@H]1CCCO1)c1cccnc1 ZINC000008673008 562961146 /nfs/dbraw/zinc/96/11/46/562961146.db2.gz AZDIDEVIEGEAEJ-KNQAVFIVSA-N 0 0 436.537 3.150 3 0 IGAFRN O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000008674203 562961362 /nfs/dbraw/zinc/96/13/62/562961362.db2.gz OSIKBDFHNSRJFV-HXUWFJFHSA-N 0 0 449.507 3.190 3 0 IGAFRN Cc1cc(C)cc(S(=O)(=O)c2c3cc(Cl)ccc3[nH]c2C(=O)NN2CCOC2=O)c1 ZINC000012354064 562981203 /nfs/dbraw/zinc/98/12/03/562981203.db2.gz QZYLCMUAROOCFB-UHFFFAOYSA-N 0 0 447.900 3.368 1 0 IGAFRN COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@@](C)=O ZINC000012479470 562982347 /nfs/dbraw/zinc/98/23/47/562982347.db2.gz DWSZRCSZGHPDFU-HBIWAFADSA-N 0 0 432.567 3.153 3 0 IGAFRN O=C1C[C@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)c1c2cccc1Cl ZINC000013651424 562999173 /nfs/dbraw/zinc/99/91/73/562999173.db2.gz AJENNFYNQIQZAC-SFHVURJKSA-N 0 0 437.652 3.073 1 0 IGAFRN COCCNC(=O)c1ccc(-n2c(SCc3cccnc3)nc3ccccc3c2=O)cc1 ZINC000013136574 562985096 /nfs/dbraw/zinc/98/50/96/562985096.db2.gz PIAWCTOEDGMJID-UHFFFAOYSA-N 0 0 446.532 3.449 3 0 IGAFRN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000013138573 562985200 /nfs/dbraw/zinc/98/52/00/562985200.db2.gz FAZJCISVJRFNEM-ZIFCJYIRSA-N 0 0 428.554 3.422 3 0 IGAFRN COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000013441801 562986422 /nfs/dbraw/zinc/98/64/22/562986422.db2.gz LXJWRDCPNBWJHG-QFIPXVFZSA-N 0 0 447.553 3.423 1 0 IGAFRN C/C=C(\C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478571 562989120 /nfs/dbraw/zinc/98/91/20/562989120.db2.gz DSFFWWOIOLQVSQ-RVZDAQLQSA-N 0 0 440.544 3.121 3 0 IGAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000013489869 562990096 /nfs/dbraw/zinc/99/00/96/562990096.db2.gz KULPBFDLRQIQIE-HXUWFJFHSA-N 0 0 439.468 3.272 1 0 IGAFRN Nc1nc2nn(-c3cccc(C(=O)NCc4ccc(-c5ccccc5)cc4)c3)nc2c(=O)[nH]1 ZINC000013559916 562994126 /nfs/dbraw/zinc/99/41/26/562994126.db2.gz IPYQSEWISUGGFR-UHFFFAOYSA-N 0 0 437.463 3.095 1 0 IGAFRN Cc1cccc2c1O[P@](=O)(OC[C@@H]1C[C@@H](F)[C@H](n3cnc4c3ncnc4N)O1)OC2 ZINC000013561146 562994272 /nfs/dbraw/zinc/99/42/72/562994272.db2.gz FYTFCQRUFXWTCM-WNAMLEJLSA-N 0 0 435.352 3.076 1 0 IGAFRN NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1CO ZINC000013589013 562996186 /nfs/dbraw/zinc/99/61/86/562996186.db2.gz KRHRIRZHIARKBB-UHFFFAOYSA-N 0 0 431.823 3.351 1 0 IGAFRN O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ncc2ccccc2n1 ZINC000013601775 562996872 /nfs/dbraw/zinc/99/68/72/562996872.db2.gz SCTXRBJBGWMYOT-JOCHJYFZSA-N 0 0 425.423 3.315 1 0 IGAFRN CN1CCN(C(=O)C2=C[C@H](c3csc4ccccc34)C[C@H](OCCCCO)O2)CC1 ZINC000013634900 562998179 /nfs/dbraw/zinc/99/81/79/562998179.db2.gz WBDAOHPJAXLIHH-HTAPYJJXSA-N 0 0 430.570 3.178 3 0 IGAFRN CONC(=O)c1cc(Nc2ncnn3cc(-c4n[nH]c(C)n4)c(C(C)C)c23)c(F)cc1F ZINC000013645306 562998700 /nfs/dbraw/zinc/99/87/00/562998700.db2.gz KPPYNHRMNFKBRA-UHFFFAOYSA-N 0 0 442.430 3.259 1 0 IGAFRN O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1[C@H](O)c1nccs1 ZINC000013738810 563002878 /nfs/dbraw/zinc/00/28/78/563002878.db2.gz APRVRUVZWFSCQI-DYXWJJEUSA-N 0 0 427.570 3.181 1 0 IGAFRN O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 ZINC000013859885 563012472 /nfs/dbraw/zinc/01/24/72/563012472.db2.gz NMOWFTXQHLZDDV-FQEVSTJZSA-N 0 0 446.544 3.240 1 0 IGAFRN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2c(c(F)c(F)c(F)c2F)C1=O ZINC000013909413 563013940 /nfs/dbraw/zinc/01/39/40/563013940.db2.gz AQCHRLTWCAURNI-VIFPVBQESA-N 0 0 441.333 3.161 1 0 IGAFRN Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000015314426 563017782 /nfs/dbraw/zinc/01/77/82/563017782.db2.gz NMLQEDQDZYWDQL-QZGUCNERSA-N 0 0 446.613 3.351 1 0 IGAFRN COc1ccc([C@H]2C=CCN(S(C)(=O)=O)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000015962583 563020544 /nfs/dbraw/zinc/02/05/44/563020544.db2.gz UNBTUEBHVWATPH-HRAATJIYSA-N 0 0 432.517 3.124 3 0 IGAFRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000019211181 563022479 /nfs/dbraw/zinc/02/24/79/563022479.db2.gz KXNUISJJBNGNMP-OAQYLSRUSA-N 0 0 425.558 3.168 3 0 IGAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026573792 563033454 /nfs/dbraw/zinc/03/34/54/563033454.db2.gz NOVVCLRXWROCGF-GOSISDBHSA-N 0 0 448.466 3.349 1 0 IGAFRN Cc1c2c(c(C)c(OC(=O)[C@H](N)C(C)C)c1C)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994346 563038895 /nfs/dbraw/zinc/03/88/95/563038895.db2.gz NLIHGRROPOICNL-YLJYHZDGSA-N 0 0 428.529 3.070 1 0 IGAFRN CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)cc2F)CCO1 ZINC000027657669 563045319 /nfs/dbraw/zinc/04/53/19/563045319.db2.gz MMKGBABWESAOLC-HNNXBMFYSA-N 0 0 439.890 3.230 1 0 IGAFRN CCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028099843 563050506 /nfs/dbraw/zinc/05/05/06/563050506.db2.gz YACZNKYXRHXWGF-UHFFFAOYSA-N 0 0 434.606 3.109 1 0 IGAFRN COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@@H]3COC(C)=O)cc(OC)c1OC ZINC000028218094 563051669 /nfs/dbraw/zinc/05/16/69/563051669.db2.gz RBZHDMQPGUEKHK-RGUAHJAXSA-N 0 0 442.464 3.067 1 0 IGAFRN Cc1ccc(C(=O)CN2C(=O)c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3C2=O)cc1C ZINC000028523090 563056214 /nfs/dbraw/zinc/05/62/14/563056214.db2.gz GAVFHRLMPJGRJT-RTBURBONSA-N 0 0 442.471 3.238 1 0 IGAFRN COc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)NCCO)cc4)nocc2-3)cc1 ZINC000028569109 563058654 /nfs/dbraw/zinc/05/86/54/563058654.db2.gz CWLVTLYUDSXSFR-UHFFFAOYSA-N 0 0 446.459 3.173 1 0 IGAFRN CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)NCc1ccc(F)cc1 ZINC000028702157 563061516 /nfs/dbraw/zinc/06/15/16/563061516.db2.gz QANKXFNUEGXTLP-LJQANCHMSA-N 0 0 426.448 3.254 1 0 IGAFRN O=C([O-])c1cn(C2CC2)c2c(F)c(N3CCO[C@H](C[NH+]4CCCCC4)C3)c(F)cc2c1=O ZINC000028767126 563064245 /nfs/dbraw/zinc/06/42/45/563064245.db2.gz KDZTYCCPDHHCCV-OAHLLOKOSA-N 0 0 447.482 3.004 1 0 IGAFRN Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(CN3CCOCC3)cc21 ZINC000028822537 563065681 /nfs/dbraw/zinc/06/56/81/563065681.db2.gz POUFELKDPNBLJP-UHFFFAOYSA-N 0 0 431.945 3.016 1 0 IGAFRN Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccc(F)c2F)O1 ZINC000028974504 563071297 /nfs/dbraw/zinc/07/12/97/563071297.db2.gz ZETKNYMMYZRTLX-MUWSIPGASA-N 0 0 425.332 3.032 1 0 IGAFRN CCN(CC)c1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc32)cc1 ZINC000029041455 563072048 /nfs/dbraw/zinc/07/20/48/563072048.db2.gz YFIUABKREHXFIM-UHFFFAOYSA-N 0 0 441.557 3.130 1 0 IGAFRN CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000029125829 563074513 /nfs/dbraw/zinc/07/45/13/563074513.db2.gz WMPVTNJPHJKDAZ-DSQVKDCXSA-N 0 0 448.560 3.478 1 0 IGAFRN C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NCC(C)(C)C)cs4)cc3n21 ZINC000029127921 563075037 /nfs/dbraw/zinc/07/50/37/563075037.db2.gz JGNZTJUQNULPSL-GFCCVEGCSA-N 0 0 439.541 3.430 1 0 IGAFRN O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1cc(I)ccc1O ZINC000029243264 563077106 /nfs/dbraw/zinc/07/71/06/563077106.db2.gz UAXLROFCHNOXNS-CQSZACIVSA-N 0 0 435.139 3.204 1 0 IGAFRN COc1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000029343063 563078540 /nfs/dbraw/zinc/07/85/40/563078540.db2.gz ZQZRGZFOACUHDJ-NRFANRHFSA-N 0 0 430.526 3.097 1 0 IGAFRN CCOCC(=O)N[C@H](Cc1c[nH]c2ccccc12)CN(Cc1ccccc1OC)C(C)=O ZINC000029395040 563079128 /nfs/dbraw/zinc/07/91/28/563079128.db2.gz RXPUNYWZUXXVCS-OAQYLSRUSA-N 0 0 437.540 3.289 1 0 IGAFRN Cc1ccc(-c2nnn(CC(=O)N([C@H](C)C(=O)NC3CCCC3)C3CCCCC3)n2)cc1 ZINC000033636541 563084621 /nfs/dbraw/zinc/08/46/21/563084621.db2.gz OYZHEVBWHINBJA-GOSISDBHSA-N 0 0 438.576 3.257 1 0 IGAFRN C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)c(Br)c4CC[C@H]3[C@@H]1CCC2=O ZINC000034630675 563086477 /nfs/dbraw/zinc/08/64/77/563086477.db2.gz IUKXNYBKONIYQP-QDTBLXIISA-N 0 0 428.348 3.457 1 0 IGAFRN CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1 ZINC000035861755 563090147 /nfs/dbraw/zinc/09/01/47/563090147.db2.gz RONOFEJNGVTDCL-UHFFFAOYSA-N 0 0 442.368 3.112 1 0 IGAFRN O=C(NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000035862053 563090304 /nfs/dbraw/zinc/09/03/04/563090304.db2.gz OKJKIOJUDZFVDL-UHFFFAOYSA-N 0 0 448.450 3.433 1 0 IGAFRN CNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1 ZINC000036348797 563093110 /nfs/dbraw/zinc/09/31/10/563093110.db2.gz PTTFRUZTSYMLAA-UHFFFAOYSA-N 0 0 447.495 3.478 1 0 IGAFRN Cc1ccc(CN2C(=O)[C@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382419 563093947 /nfs/dbraw/zinc/09/39/47/563093947.db2.gz ULQZHSAABXMSBF-IBGZPJMESA-N 0 0 428.540 3.459 3 0 IGAFRN CN(Cc1nc2c(cccc2C(=O)NCCc2c[nH]cn2)[nH]1)[C@@H]1CCCc2cccnc21 ZINC000038239752 563097142 /nfs/dbraw/zinc/09/71/42/563097142.db2.gz VLMHVPDHRBQBED-HXUWFJFHSA-N 0 0 429.528 3.163 1 0 IGAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000038654572 563098053 /nfs/dbraw/zinc/09/80/53/563098053.db2.gz XQXXTTFZQSPXBR-DJJZHVJBSA-N 0 0 428.437 3.063 1 0 IGAFRN CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 ZINC000039148482 563098806 /nfs/dbraw/zinc/09/88/06/563098806.db2.gz ZUIGWVKXPZANDI-MJCUULBUSA-N 0 0 439.641 3.050 1 0 in-vitro IGAFRN COc1cc(Nc2nc(NCCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1 ZINC000040380633 563099798 /nfs/dbraw/zinc/09/97/98/563099798.db2.gz QIOYNAYUOSWLLE-UHFFFAOYSA-N 0 0 432.484 3.244 1 0 IGAFRN CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(-c2ccco2)o1 ZINC000040566202 563104861 /nfs/dbraw/zinc/10/48/61/563104861.db2.gz LDQAOERTIHJZOI-STQMWFEESA-N 0 0 430.427 3.364 1 0 IGAFRN CS(=O)(=O)c1ccc(C(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 ZINC000040845187 563107316 /nfs/dbraw/zinc/10/73/16/563107316.db2.gz LOVRMOJRCGLSNC-UHFFFAOYSA-N 0 0 428.535 3.281 1 0 IGAFRN Nc1nccc(-c2ccc3nc([C@H]4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1 ZINC000040860506 563108012 /nfs/dbraw/zinc/10/80/12/563108012.db2.gz VILQJQQODSKEFD-MRXNPFEDSA-N 0 0 426.480 3.213 1 0 IGAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3c2cccc3F)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000040953578 563114280 /nfs/dbraw/zinc/11/42/80/563114280.db2.gz FFHSXQLIDDMORH-FFZOFVMBSA-N 0 0 436.531 3.414 1 0 IGAFRN O=C1NCCCC[C@H]1N(Cc1ccc2nccnc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000043131741 563119059 /nfs/dbraw/zinc/11/90/59/563119059.db2.gz PZUMZACXEGVYKN-HXUWFJFHSA-N 0 0 444.944 3.143 1 0 IGAFRN C[C@H](c1ccc2ccccc2c1)N(C)c1nc(N)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000045245151 563126400 /nfs/dbraw/zinc/12/64/00/563126400.db2.gz BFRLCUXMTILFJQ-VFNWGFHPSA-N 0 0 442.523 3.426 1 0 IGAFRN CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@H](CS(C)(=O)=O)O3)C=CC(C)(C)O1 ZINC000045257298 563127437 /nfs/dbraw/zinc/12/74/37/563127437.db2.gz BSHWJRAMEDQUPB-CYBMUJFWSA-N 0 0 432.494 3.308 1 0 IGAFRN Nc1nc(NCc2ccc(-c3ccccc3)cc2)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000045288111 563128549 /nfs/dbraw/zinc/12/85/49/563128549.db2.gz AQHOLNVEGKKXQC-NRFANRHFSA-N 0 0 440.507 3.354 1 0 IGAFRN O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC3(CCc4ccccc4O3)CC2)nn1 ZINC000045352309 563132312 /nfs/dbraw/zinc/13/23/12/563132312.db2.gz ABRPDNMHYXMRIE-QFIPXVFZSA-N 0 0 444.535 3.304 1 0 IGAFRN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccn1 ZINC000049036076 563136351 /nfs/dbraw/zinc/13/63/51/563136351.db2.gz WJFIRXSNUDJHDD-UHFFFAOYSA-N 0 0 440.916 3.306 1 0 IGAFRN CC(C)CCN(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049071502 563137811 /nfs/dbraw/zinc/13/78/11/563137811.db2.gz ZOLDSYAIULKYBX-IBGZPJMESA-N 0 0 430.520 3.042 1 0 IGAFRN O=c1nc2n(CCC3CC3)nc(-c3cccc(OC(F)(F)F)c3)nc-2c(=O)n1CC1CC1 ZINC000049088363 563138071 /nfs/dbraw/zinc/13/80/71/563138071.db2.gz GHWOIZDEIKOYGC-UHFFFAOYSA-N 0 0 447.417 3.076 1 0 IGAFRN COc1cc(/C=C2/Cc3c(cc(OC(C)=O)cc3OC(C)=O)O2)cc(OC)c1OC(C)=O ZINC000053297170 563141939 /nfs/dbraw/zinc/14/19/39/563141939.db2.gz VBONHGTYNOZDCR-SOFYXZRVSA-N 0 0 442.420 3.456 1 0 IGAFRN CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(O)cc2c(C(F)(F)F)c1C3 ZINC000053314045 563142061 /nfs/dbraw/zinc/14/20/61/563142061.db2.gz GFJDQCXUYSZPNK-NRFANRHFSA-N 0 0 446.381 3.194 1 0 IGAFRN O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1Oc1ccccc1 ZINC000061895958 563147261 /nfs/dbraw/zinc/14/72/61/563147261.db2.gz KUUZYQQTVRAZFH-BHYGNILZSA-N 0 0 428.470 3.158 3 0 IGAFRN C[C@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061906308 563148549 /nfs/dbraw/zinc/14/85/49/563148549.db2.gz NOMCWHFMPHRPQC-JOCHJYFZSA-N 0 0 426.900 3.408 3 0 IGAFRN COc1cc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc(OC)c1 ZINC000061908147 563148892 /nfs/dbraw/zinc/14/88/92/563148892.db2.gz AGTHYBJHCXERNU-JOCHJYFZSA-N 0 0 432.480 3.216 3 0 IGAFRN CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(S(C)(=O)=O)cc3)cccn21 ZINC000061928975 563150403 /nfs/dbraw/zinc/15/04/03/563150403.db2.gz LAFDJHUACZCSLH-UHFFFAOYSA-N 0 0 431.514 3.472 3 0 IGAFRN CC(=O)Nc1ccc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061928909 563150429 /nfs/dbraw/zinc/15/04/29/563150429.db2.gz ONRYYCAXWAKABU-JOCHJYFZSA-N 0 0 429.480 3.157 3 0 IGAFRN CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1CCc1ccccc1 ZINC000061958821 563151928 /nfs/dbraw/zinc/15/19/28/563151928.db2.gz VORNODFZSMKVJY-OAQYLSRUSA-N 0 0 432.517 3.266 3 0 IGAFRN COc1cc(C(=O)c2c[nH]c(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC ZINC000064527284 563154521 /nfs/dbraw/zinc/15/45/21/563154521.db2.gz FMOYCUPYQRNGMS-UHFFFAOYSA-N 0 0 428.441 3.359 1 0 IGAFRN COc1cc2nnc(C(N)=O)c(Nc3cccc(Cl)c3F)c2cc1N1CCN(C)CC1 ZINC000066079968 563157919 /nfs/dbraw/zinc/15/79/19/563157919.db2.gz WQSAHRZHKPUJHY-UHFFFAOYSA-N 0 0 444.898 3.025 1 0 IGAFRN CCOP(=O)(CC/C=C/Cn1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O)OCC ZINC000066112697 563159085 /nfs/dbraw/zinc/15/90/85/563159085.db2.gz UXKCMQNYRLIDSX-RMKNXTFCSA-N 0 0 438.392 3.050 1 0 IGAFRN CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccco1)C1CCCCC1 ZINC000072106206 563162956 /nfs/dbraw/zinc/16/29/56/563162956.db2.gz GTOZYIAGZBQQNM-UHFFFAOYSA-N 0 0 425.514 3.412 1 0 IGAFRN O=C1c2cc3c(cc2O[C@@H]2CCCN12)C(=O)N(CCc1cccc(Br)c1)CO3 ZINC000072171752 563164938 /nfs/dbraw/zinc/16/49/38/563164938.db2.gz OYRWNJIYINZXDD-LJQANCHMSA-N 0 0 443.297 3.438 1 0 IGAFRN O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000072176251 563165626 /nfs/dbraw/zinc/16/56/26/563165626.db2.gz KUXHAMKNCQITFC-LJQANCHMSA-N 0 0 435.351 3.251 1 0 IGAFRN O=C(NC1CCS(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072179589 563166563 /nfs/dbraw/zinc/16/65/63/563166563.db2.gz YRYHDLNNTVFXCZ-UHFFFAOYSA-N 0 0 439.541 3.085 1 0 IGAFRN O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000072180310 563166831 /nfs/dbraw/zinc/16/68/31/563166831.db2.gz KUONYQIPPHYTPH-QGZVFWFLSA-N 0 0 425.407 3.063 1 0 IGAFRN Cn1c2ccccc2nc1-c1noc(N2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)n1 ZINC000072180976 563167048 /nfs/dbraw/zinc/16/70/48/563167048.db2.gz SRIWAHGIFFDHPA-UHFFFAOYSA-N 0 0 445.474 3.033 1 0 IGAFRN CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 ZINC000072181146 563167152 /nfs/dbraw/zinc/16/71/52/563167152.db2.gz RIEBONGMTZXFMR-UHFFFAOYSA-N 0 0 444.561 3.224 1 0 IGAFRN O=S(=O)(c1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072185250 563167951 /nfs/dbraw/zinc/16/79/51/563167951.db2.gz UUYIWDOHTITXDP-OAQYLSRUSA-N 0 0 428.945 3.226 1 0 IGAFRN O=C([O-])c1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2ccccn2c1=O ZINC000084710090 563177230 /nfs/dbraw/zinc/17/72/30/563177230.db2.gz UFGBBVZMBLWLPS-UHFFFAOYSA-N 0 0 431.414 3.339 1 0 IGAFRN C[C@H](Nc1ncnc2cc3oc(=O)n(CCCN4CCOCC4)c3cc21)c1ccccc1 ZINC000084726108 563178197 /nfs/dbraw/zinc/17/81/97/563178197.db2.gz MYTTUHJKUWGZNX-KRWDZBQOSA-N 0 0 433.512 3.433 1 0 IGAFRN COc1ccc(CN([C@@H](C(N)=O)C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000095552145 563180887 /nfs/dbraw/zinc/18/08/87/563180887.db2.gz NQHKHZHYKGXHLY-GOSISDBHSA-N 0 0 428.913 3.189 1 0 IGAFRN COCC(COC)n1cc(Br)nc(Nc2c(C)cc(OC)cc2C)c1=O ZINC000095554348 563181107 /nfs/dbraw/zinc/18/11/07/563181107.db2.gz IMBGHAIDIAWMHT-UHFFFAOYSA-N 0 0 426.311 3.209 1 0 IGAFRN Cn1c2ccc(C(=O)[O-])cc2c2nc(N3CCC[C@@H]([NH3+])C3)n(CC3CCCCC3)c2c1=O ZINC000095559729 563182042 /nfs/dbraw/zinc/18/20/42/563182042.db2.gz JUYKQIYPYPLVCM-QGZVFWFLSA-N 0 0 437.544 3.094 1 0 IGAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095571380 563184487 /nfs/dbraw/zinc/18/44/87/563184487.db2.gz VNEZBGZPTOIZKA-NLFFAJNJSA-N 0 0 442.556 3.195 3 0 IGAFRN O=C(Nc1ccccc1)c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1 ZINC000095577281 563186286 /nfs/dbraw/zinc/18/62/86/563186286.db2.gz DCVLGQNYMNDDTI-UHFFFAOYSA-N 0 0 440.507 3.470 1 0 IGAFRN CCOC(=O)[C@@]1(C(=O)NCc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597899 563191966 /nfs/dbraw/zinc/19/19/66/563191966.db2.gz OLSAKKGEDBWFLQ-KOSHJBKYSA-N 0 0 443.496 3.074 1 0 IGAFRN CNc1nc(CC(F)(F)F)c(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)s1 ZINC000095602434 563193160 /nfs/dbraw/zinc/19/31/60/563193160.db2.gz LTPKYPDZFVTFOH-UHFFFAOYSA-N 0 0 444.464 3.138 1 0 IGAFRN COc1nc(Cl)nc(C)c1Nc1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O ZINC000095605618 563194035 /nfs/dbraw/zinc/19/40/35/563194035.db2.gz HIWAWLWAEFNYKU-NSHDSACASA-N 0 0 432.283 3.338 1 0 IGAFRN CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(Cl)c4c3)CC1)C2 ZINC000096283392 563197191 /nfs/dbraw/zinc/19/71/91/563197191.db2.gz HJYPOOSQUPLKLU-UHFFFAOYSA-N 0 0 440.935 3.129 1 0 IGAFRN CC(C)c1nccn1-c1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1 ZINC000096928710 563198406 /nfs/dbraw/zinc/19/84/06/563198406.db2.gz CPIWMCKHHWEDQT-UHFFFAOYSA-N 0 0 434.544 3.346 1 0 IGAFRN O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)Nc1ccccc1 ZINC000096934397 563199304 /nfs/dbraw/zinc/19/93/04/563199304.db2.gz VNNPNBVSQNSJNK-UHFFFAOYSA-N 0 0 438.075 3.380 1 0 IGAFRN COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000096939084 563199973 /nfs/dbraw/zinc/19/99/73/563199973.db2.gz ZXOFLVYXBOZRGG-DEOSSOPVSA-N 0 0 435.568 3.247 1 0 IGAFRN