smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000006300121 193897295 /nfs/dbraw/zinc/89/72/95/193897295.db2.gz KWXBTAFWVFLHMB-UHFFFAOYSA-N 0 0 433.871 2.253 50 0 IEAARN CCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000009468264 132231874 /nfs/dbraw/zinc/23/18/74/132231874.db2.gz JZKWBWQBFXBYNW-UHFFFAOYSA-N 0 0 434.518 2.474 50 0 IEAARN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009489698 132232072 /nfs/dbraw/zinc/23/20/72/132232072.db2.gz PRTWIHVNEIBZOT-NRFANRHFSA-N 0 0 443.569 2.449 50 0 IEAARN O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009568782 132233763 /nfs/dbraw/zinc/23/37/63/132233763.db2.gz PPBJOGOEIHYITM-KRWDZBQOSA-N 0 0 440.475 2.234 50 0 IEAARN CCOc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 ZINC000000916322 132233954 /nfs/dbraw/zinc/23/39/54/132233954.db2.gz HHCLDRJGEZWKJS-UHFFFAOYSA-N 0 0 435.521 2.339 50 0 IEAARN CC(C)Oc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009569872 132235057 /nfs/dbraw/zinc/23/50/57/132235057.db2.gz HVGQETFCBGKZTH-UHFFFAOYSA-N 0 0 449.548 2.495 50 0 IEAARN COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cc3ccccc3o2)CC1 ZINC000009570184 132235682 /nfs/dbraw/zinc/23/56/82/132235682.db2.gz OXMPPDUGGCWKJR-UHFFFAOYSA-N 0 0 443.525 2.323 50 0 IEAARN O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000009739614 132240381 /nfs/dbraw/zinc/24/03/81/132240381.db2.gz VEWMRFWGETWYRB-INIZCTEOSA-N 0 0 449.554 2.123 50 0 IEAARN COc1cccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000009850680 132242100 /nfs/dbraw/zinc/24/21/00/132242100.db2.gz CPPYSHBAZZWKHM-UHFFFAOYSA-N 0 0 429.484 2.490 50 0 IEAARN COc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000002940686 132259419 /nfs/dbraw/zinc/25/94/19/132259419.db2.gz TVHJLFOYCXXRFQ-UHFFFAOYSA-N 0 0 430.526 2.410 50 0 IEAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1N1CCOCC1 ZINC000003352423 132264397 /nfs/dbraw/zinc/26/43/97/132264397.db2.gz ZMTOYLFVLYREQL-OAQYLSRUSA-N 0 0 429.542 2.238 50 0 IEAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ncccn2)CC1 ZINC000003603598 132266447 /nfs/dbraw/zinc/26/64/47/132266447.db2.gz QHHTVTKBADXZDB-UHFFFAOYSA-N 0 0 429.546 2.004 50 0 IEAARN Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCN(c4ccccc4)CC3)cc2s1 ZINC000004034639 132268906 /nfs/dbraw/zinc/26/89/06/132268906.db2.gz KNNZBAJOFFGCNU-UHFFFAOYSA-N 0 0 430.555 2.232 50 0 IEAARN O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004763786 132273810 /nfs/dbraw/zinc/27/38/10/132273810.db2.gz YYZVJEWBFZQZNL-UHFFFAOYSA-N 0 0 430.505 2.410 50 0 IEAARN CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)ccc2OC)n(C)c1=O ZINC000005252087 132275290 /nfs/dbraw/zinc/27/52/90/132275290.db2.gz LVXDLUACUFNARG-HNNXBMFYSA-N 0 0 427.505 2.038 50 0 IEAARN CCOC(=O)C1CCN(c2c(=O)c(=O)c2N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000006738801 132278397 /nfs/dbraw/zinc/27/83/97/132278397.db2.gz PDXVCIYIBGKSPO-UHFFFAOYSA-N 0 0 425.529 2.006 50 0 IEAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(c2ncccn2)CC1 ZINC000008134539 132280969 /nfs/dbraw/zinc/28/09/69/132280969.db2.gz SDZLOAYBMGRKRE-LOXVZWDBSA-N 0 0 425.577 2.482 50 0 IEAARN CCCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008604475 132287024 /nfs/dbraw/zinc/28/70/24/132287024.db2.gz MXCHJHIUQMAIQS-UHFFFAOYSA-N 0 0 439.603 2.462 50 0 IEAARN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000008609767 132287831 /nfs/dbraw/zinc/28/78/31/132287831.db2.gz ILRMLGHKPDSRIU-UHFFFAOYSA-N 0 0 434.537 2.301 50 0 IEAARN Cc1ccc(C)c(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000008673314 132290123 /nfs/dbraw/zinc/29/01/23/132290123.db2.gz YYVMIPJWMWELAQ-UHFFFAOYSA-N 0 0 447.582 2.309 50 0 IEAARN Cc1ccccc1CNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000008673316 132290148 /nfs/dbraw/zinc/29/01/48/132290148.db2.gz LKRDUNJJMVAFAH-UHFFFAOYSA-N 0 0 433.555 2.000 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ZINC000022426384 519587586 /nfs/dbraw/zinc/58/75/86/519587586.db2.gz HEZVTSDXZGZGGT-VMPITWQZSA-N 0 0 428.510 2.410 50 0 IEAARN CC(=O)N1C[C@@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 ZINC000012681336 519635030 /nfs/dbraw/zinc/63/50/30/519635030.db2.gz MWDXYCYGKOAVTL-HNNXBMFYSA-N 0 0 425.466 2.331 50 0 IEAARN CC(=O)N1C[C@@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)Oc2ccccc21 ZINC000022286971 519635060 /nfs/dbraw/zinc/63/50/60/519635060.db2.gz FIYRCYFBMAUWTO-IRLDBZIGSA-N 0 0 427.476 2.129 50 0 IEAARN CC(=O)N1C[C@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)Oc2ccccc21 ZINC000022286973 519635501 /nfs/dbraw/zinc/63/55/01/519635501.db2.gz FIYRCYFBMAUWTO-IFMALSPDSA-N 0 0 427.476 2.129 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)Nc3ncccc3C)cc2C[C@H]1C ZINC000020529305 519639386 /nfs/dbraw/zinc/63/93/86/519639386.db2.gz MZMMNRDYORLBET-FOIQADDNSA-N 0 0 442.541 2.479 50 0 IEAARN CC(C)CCNc1cc(C(=O)N[C@H]2CCCCNC2=O)cc(S(=O)(=O)NC(C)C)c1 ZINC000014753599 519664022 /nfs/dbraw/zinc/66/40/22/519664022.db2.gz USRJTUMNZPXDGY-IBGZPJMESA-N 0 0 438.594 2.230 50 0 IEAARN CC(=O)NCCNC(=O)CSc1nc2oc(C)c(C)c2c(NC(=O)c2ccccc2)n1 ZINC000012787262 519664222 /nfs/dbraw/zinc/66/42/22/519664222.db2.gz PHFFDBLULUZABR-UHFFFAOYSA-N 0 0 441.513 2.436 50 0 IEAARN CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000012909832 519694807 /nfs/dbraw/zinc/69/48/07/519694807.db2.gz VYAWOWMYTOHOMN-OAQYLSRUSA-N 0 0 429.542 2.095 50 0 IEAARN CC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000020556798 519722033 /nfs/dbraw/zinc/72/20/33/519722033.db2.gz LZLNJJYEXKLHMV-UHFFFAOYSA-N 0 0 429.498 2.357 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1 ZINC000012224952 519731049 /nfs/dbraw/zinc/73/10/49/519731049.db2.gz HXZNXWFLLICDNN-UHFFFAOYSA-N 0 0 433.534 2.042 50 0 IEAARN CC(C)CNC(=O)NC(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012777896 519736892 /nfs/dbraw/zinc/73/68/92/519736892.db2.gz QHZKMVYSJUCEGK-UHFFFAOYSA-N 0 0 428.489 2.152 50 0 IEAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 ZINC000021676653 519820048 /nfs/dbraw/zinc/82/00/48/519820048.db2.gz GOJWEAMXSNFECF-UXHICEINSA-N 0 0 427.476 2.463 50 0 IEAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCc2sccc2C1 ZINC000021626013 519821204 /nfs/dbraw/zinc/82/12/04/519821204.db2.gz DQYVJSVOPGLXSH-IBGZPJMESA-N 0 0 436.555 2.407 50 0 IEAARN CC(C)c1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528808 519836635 /nfs/dbraw/zinc/83/66/35/519836635.db2.gz NQUVHPDHVZYGDZ-HSZRJFAPSA-N 0 0 443.569 2.493 50 0 IEAARN CC(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 ZINC000014753527 519837585 /nfs/dbraw/zinc/83/75/85/519837585.db2.gz FFNAXGYUCZBJOL-TYPHKJRUSA-N 0 0 436.512 2.348 50 0 IEAARN CC(C)c1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000012875138 519839168 /nfs/dbraw/zinc/83/91/68/519839168.db2.gz QKDWPQGLHGLVRQ-MRXNPFEDSA-N 0 0 429.542 2.422 50 0 IEAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCc2ccccc2OC)C1=O ZINC000035534750 519849136 /nfs/dbraw/zinc/84/91/36/519849136.db2.gz LIJBXKJZPKFNKA-UHFFFAOYSA-N 0 0 444.509 2.313 50 0 IEAARN CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012693940 519876951 /nfs/dbraw/zinc/87/69/51/519876951.db2.gz WXLADHLKYXLISV-UHFFFAOYSA-N 0 0 427.876 2.191 50 0 IEAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCc3ccc(C)o3)ccc21 ZINC000033023616 519897428 /nfs/dbraw/zinc/89/74/28/519897428.db2.gz FPCIMCAKQAGZJD-IBGZPJMESA-N 0 0 431.518 2.212 50 0 IEAARN CCN(C(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1 ZINC000035452209 519910331 /nfs/dbraw/zinc/91/03/31/519910331.db2.gz PZVSMBZQCQIPDL-UHFFFAOYSA-N 0 0 437.905 2.345 50 0 IEAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n(C(C)C)c1=O ZINC000035513634 519919810 /nfs/dbraw/zinc/91/98/10/519919810.db2.gz IVXKYOKEBNRUBA-UHFFFAOYSA-N 0 0 442.564 2.126 50 0 IEAARN CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000035505778 520046913 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0 IEAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(CCc4ccncc4)CC3)cc2O1 ZINC000020592210 520275188 /nfs/dbraw/zinc/27/51/88/520275188.db2.gz SAQNXKBRKVIYFC-UHFFFAOYSA-N 0 0 439.512 2.297 50 0 IEAARN CCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc(C)n1 ZINC000012224757 520315011 /nfs/dbraw/zinc/31/50/11/520315011.db2.gz NLVVMADGDJVRJA-UHFFFAOYSA-N 0 0 436.534 2.102 50 0 IEAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN1C(=O)COc2ccccc21 ZINC000012522615 520317016 /nfs/dbraw/zinc/31/70/16/520317016.db2.gz WGGQDJRYXPIBTK-UHFFFAOYSA-N 0 0 446.529 2.123 50 0 IEAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 ZINC000012443071 520430011 /nfs/dbraw/zinc/43/00/11/520430011.db2.gz PVINACDCJOXYQX-UHFFFAOYSA-N 0 0 432.506 2.451 50 0 IEAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CC3)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035992859 520510517 /nfs/dbraw/zinc/51/05/17/520510517.db2.gz IZERKNMOJNFVTF-NRFANRHFSA-N 0 0 440.544 2.144 50 0 IEAARN CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559103 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LXSJSUYJZXSSHF-UHFFFAOYSA-N 0 0 446.481 2.254 50 0 IEAARN COC(=O)[C@H](CCSC)NC(=O)CC[C@]1(Cc2ccc(OC)cc2F)CCC(=O)N1 ZINC000012245781 523899935 /nfs/dbraw/zinc/89/99/35/523899935.db2.gz DHHZRWLRNTYZPX-LAUBAEHRSA-N 0 0 440.537 2.217 50 0 IEAARN COc1ccc(CC(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000013145806 523903571 /nfs/dbraw/zinc/90/35/71/523903571.db2.gz XWLKLRWAQKVENN-UHFFFAOYSA-N 0 0 438.933 2.228 50 0 IEAARN CC[C@H](C)N(C(=O)CN1CCN(c2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000013055835 523907865 /nfs/dbraw/zinc/90/78/65/523907865.db2.gz KDLGYDQCWYUCKY-IRXDYDNUSA-N 0 0 427.998 2.276 50 0 IEAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000020738392 523908328 /nfs/dbraw/zinc/90/83/28/523908328.db2.gz PIJQZANUACJWBY-KKSFZXQISA-N 0 0 435.480 2.430 50 0 IEAARN COc1ccc(CC(=O)Oc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012904653 523913123 /nfs/dbraw/zinc/91/31/23/523913123.db2.gz CHPMIVBULIWCKZ-UHFFFAOYSA-N 0 0 427.425 2.142 50 0 IEAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054234 523913555 /nfs/dbraw/zinc/91/35/55/523913555.db2.gz ZKHOVSUZWWPMFD-WOJBJXKFSA-N 0 0 442.512 2.331 50 0 IEAARN CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)CCc3ccccc3)cc2)CC1 ZINC000036007369 523914651 /nfs/dbraw/zinc/91/46/51/523914651.db2.gz JBNGNZXJKKXGOL-UHFFFAOYSA-N 0 0 446.598 2.069 50 0 IEAARN COC(=O)[C@H](NC(=O)CSc1nc(=O)cc(N)n1-c1cccc(C)c1)c1ccccc1 ZINC000012462880 523916718 /nfs/dbraw/zinc/91/67/18/523916718.db2.gz PEYPPWYFMBENRD-HXUWFJFHSA-N 0 0 438.509 2.246 50 0 IEAARN COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000021712040 523919330 /nfs/dbraw/zinc/91/93/30/523919330.db2.gz IPGZDGGEIZCIOY-HXUWFJFHSA-N 0 0 425.485 2.315 50 0 IEAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036059205 523920747 /nfs/dbraw/zinc/92/07/47/523920747.db2.gz VRGKJOKISZAHAU-RTWAWAEBSA-N 0 0 442.512 2.331 50 0 IEAARN COCCNC(=O)c1cn([C@H]2CCCN(C(=O)c3c(C)onc3-c3ccccc3)C2)nn1 ZINC000012206485 523928418 /nfs/dbraw/zinc/92/84/18/523928418.db2.gz RDQBCBNISDKUPN-KRWDZBQOSA-N 0 0 438.488 2.095 50 0 IEAARN CCc1ccc(CNC(=O)CNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)cc1 ZINC000021919698 523933408 /nfs/dbraw/zinc/93/34/08/523933408.db2.gz HJJXNHWBBHMDPF-VWLOTQADSA-N 0 0 432.524 2.481 50 0 IEAARN COc1ccc(CCN2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1OC ZINC000012815195 523952636 /nfs/dbraw/zinc/95/26/36/523952636.db2.gz AGHCYRURKKOEKO-HXUWFJFHSA-N 0 0 437.540 2.444 50 0 IEAARN COc1ccc(CCNC(=O)CCC(=O)NC[C@H]2COc3ccccc3O2)cc1OC ZINC000020726008 523955335 /nfs/dbraw/zinc/95/53/35/523955335.db2.gz VXZHYZJCNDJZMM-KRWDZBQOSA-N 0 0 428.485 2.099 50 0 IEAARN COc1ccc(CCNC(=O)CCC(=O)NC[C@@H]2COc3ccccc3O2)cc1OC ZINC000020726003 523956018 /nfs/dbraw/zinc/95/60/18/523956018.db2.gz VXZHYZJCNDJZMM-QGZVFWFLSA-N 0 0 428.485 2.099 50 0 IEAARN COc1ccc(CCNC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc1OC ZINC000012563859 523958941 /nfs/dbraw/zinc/95/89/41/523958941.db2.gz DARHZLNDDGPJBG-UHFFFAOYSA-N 0 0 433.457 2.245 50 0 IEAARN COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)cc2)c(OC)c1 ZINC000012745428 523960046 /nfs/dbraw/zinc/96/00/46/523960046.db2.gz SKXHGLUCNNMUKQ-NRFANRHFSA-N 0 0 425.529 2.062 50 0 IEAARN CC[C@H](C)NC(=O)N1CCN(Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)CC1 ZINC000033275666 523977596 /nfs/dbraw/zinc/97/75/96/523977596.db2.gz GKWVMEKCKXETIM-KRWDZBQOSA-N 0 0 426.565 2.435 50 0 IEAARN COc1ccc(CN2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000022810394 524031491 /nfs/dbraw/zinc/03/14/91/524031491.db2.gz CNUWRWQLYLINGB-SFHVURJKSA-N 0 0 425.529 2.461 50 0 IEAARN CN1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)cc2C(C)(C)C1=O ZINC000020487971 524032446 /nfs/dbraw/zinc/03/24/46/524032446.db2.gz PECQTPXAHKRYHS-HNNXBMFYSA-N 0 0 433.574 2.400 50 0 IEAARN COc1ccc(CNC(=O)CN2C(=O)C(C)=C(c3ccc(C)cc3)S2(=O)=O)cc1OC ZINC000021913139 524050476 /nfs/dbraw/zinc/05/04/76/524050476.db2.gz YFXPSHCFYINKGD-UHFFFAOYSA-N 0 0 444.509 2.232 50 0 IEAARN CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035452075 524062775 /nfs/dbraw/zinc/06/27/75/524062775.db2.gz DGIPMJITPREENY-UHFFFAOYSA-N 0 0 431.514 2.456 50 0 IEAARN COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000035485160 524063890 /nfs/dbraw/zinc/06/38/90/524063890.db2.gz SVLBGGTVMQBQQR-SFTDATJTSA-N 0 0 427.570 2.264 50 0 biogenic IEAARN CCc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(F)cc2)c1 ZINC000021529005 524071374 /nfs/dbraw/zinc/07/13/74/524071374.db2.gz ANEYDXNNXVLEIO-QFIPXVFZSA-N 0 0 447.532 2.071 50 0 IEAARN C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O ZINC000252444256 524131443 /nfs/dbraw/zinc/13/14/43/524131443.db2.gz CVRPJUCPOVOOCD-FMKPAKJESA-N 0 0 426.473 2.120 50 0 IEAARN Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c1 ZINC000020487491 524134847 /nfs/dbraw/zinc/13/48/47/524134847.db2.gz HLBXPIUQLUAFDX-UHFFFAOYSA-N 0 0 427.324 2.350 50 0 IEAARN C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012797173 524166637 /nfs/dbraw/zinc/16/66/37/524166637.db2.gz GIYLHZYDYVTRPN-AWEZNQCLSA-N 0 0 433.496 2.459 50 0 IEAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000035271258 524218363 /nfs/dbraw/zinc/21/83/63/524218363.db2.gz XSMUIGUQAKVJGK-KBUPBQIOSA-N 0 0 438.908 2.269 50 0 IEAARN COc1ccc(Cn2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000020610613 524256342 /nfs/dbraw/zinc/25/63/42/524256342.db2.gz NBORDIWHEORJMZ-OAQYLSRUSA-N 0 0 448.479 2.024 50 0 biogenic IEAARN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614180 524268220 /nfs/dbraw/zinc/26/82/20/524268220.db2.gz WXHZRDOTDZHQHK-GOSISDBHSA-N 0 0 425.485 2.160 50 0 IEAARN COc1ccc(F)c(C[C@@]2(CCC(=O)NCCSc3nccn3C)CCC(=O)N2)c1 ZINC000012151187 524285230 /nfs/dbraw/zinc/28/52/30/524285230.db2.gz WGLPYROKSVWPKH-OAQYLSRUSA-N 0 0 434.537 2.448 50 0 IEAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000015407590 524317828 /nfs/dbraw/zinc/31/78/28/524317828.db2.gz UOCXSOAPAJYWMY-UHFFFAOYSA-N 0 0 444.557 2.266 50 0 IEAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)C)C3)CC2)c(C)c1 ZINC000022894657 524318630 /nfs/dbraw/zinc/31/86/30/524318630.db2.gz YTSSUHLFAAYULF-FQEVSTJZSA-N 0 0 449.617 2.339 50 0 IEAARN Cc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)cc1 ZINC000021874253 524334554 /nfs/dbraw/zinc/33/45/54/524334554.db2.gz AEGWRUFYLDWBEP-DEOSSOPVSA-N 0 0 437.544 2.067 50 0 IEAARN COc1ccccc1C(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C(=O)C2=O)CC1 ZINC000035376526 524339394 /nfs/dbraw/zinc/33/93/94/524339394.db2.gz WULYNXHDRUBXLG-UHFFFAOYSA-N 0 0 435.524 2.479 50 0 IEAARN Cc1cc(C)cc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)c1 ZINC000035425659 524422835 /nfs/dbraw/zinc/42/28/35/524422835.db2.gz YGVCQQUGOHAJKS-UHFFFAOYSA-N 0 0 432.484 2.136 50 0 IEAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 ZINC000012882412 524442734 /nfs/dbraw/zinc/44/27/34/524442734.db2.gz BMYAILLNUOZRDB-WMZOPIPTSA-N 0 0 448.523 2.393 50 0 biogenic IEAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)CC2=O)cc1 ZINC000020737761 524443009 /nfs/dbraw/zinc/44/30/09/524443009.db2.gz DMTJCEXLIPWRII-KRWDZBQOSA-N 0 0 437.496 2.041 50 0 IEAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)cc1 ZINC000015922057 524444948 /nfs/dbraw/zinc/44/49/48/524444948.db2.gz SSGKHNIQYDREAJ-KRWDZBQOSA-N 0 0 434.496 2.424 50 0 IEAARN Cc1ccc(CN2CCN(C3CCN(C(=O)COc4ccccc4)CC3)C(=O)C2=O)cc1 ZINC000035376585 524455351 /nfs/dbraw/zinc/45/53/51/524455351.db2.gz MNKNUZDPPITVDC-UHFFFAOYSA-N 0 0 435.524 2.236 50 0 IEAARN Cc1ccc(CN2CCN(C(=O)[C@@H]3CCc4nc(N5CCOCC5)ncc4C3)CC2)cc1C ZINC000065289630 524455401 /nfs/dbraw/zinc/45/54/01/524455401.db2.gz KFZMBIATAUIVSZ-JOCHJYFZSA-N 0 0 449.599 2.379 50 0 IEAARN COc1ccccc1CN1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CCC1=O ZINC000015074710 524456394 /nfs/dbraw/zinc/45/63/94/524456394.db2.gz SIQWIUMITXZPAZ-SFHVURJKSA-N 0 0 425.485 2.011 50 0 IEAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000021529132 524545639 /nfs/dbraw/zinc/54/56/39/524545639.db2.gz WLYJVKITQJHPOL-HSZRJFAPSA-N 0 0 443.569 2.295 50 0 IEAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccccc3)CC2)c1C ZINC000021940489 524550530 /nfs/dbraw/zinc/55/05/30/524550530.db2.gz FRAUHTYBEYGCCF-OAQYLSRUSA-N 0 0 441.553 2.332 50 0 IEAARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000001132444 524552336 /nfs/dbraw/zinc/55/23/36/524552336.db2.gz XMVPCPNRIPWWAN-UHFFFAOYSA-N 0 0 429.542 2.442 50 0 IEAARN Cc1cccc(N2CCN(C(=O)c3cnc4sc(N5CCCC5)nn4c3=O)CC2)c1C ZINC000015732769 524552852 /nfs/dbraw/zinc/55/28/52/524552852.db2.gz FTRUUGQZEYDWCO-UHFFFAOYSA-N 0 0 438.557 2.330 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1 ZINC000021876074 524555174 /nfs/dbraw/zinc/55/51/74/524555174.db2.gz TVYIQFAPAFRJBU-VWLOTQADSA-N 0 0 445.523 2.282 50 0 IEAARN COc1ccccc1N1CCN(C[C@H](O)COc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000021982930 524557963 /nfs/dbraw/zinc/55/79/63/524557963.db2.gz KSQCNASWXSCJTD-KRWDZBQOSA-N 0 0 432.517 2.283 50 0 in-man IEAARN COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487166 524592227 /nfs/dbraw/zinc/59/22/27/524592227.db2.gz OVDZAWFRXWNYLG-UHFFFAOYSA-N 0 0 431.514 2.208 50 0 IEAARN Cc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1 ZINC000021264346 524603060 /nfs/dbraw/zinc/60/30/60/524603060.db2.gz PGSPBBBDAYXLJW-UHFFFAOYSA-N 0 0 428.558 2.103 50 0 IEAARN COc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000023243753 524650226 /nfs/dbraw/zinc/65/02/26/524650226.db2.gz ZQBGOXOXAGECKF-UHFFFAOYSA-N 0 0 449.515 2.253 50 0 IEAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000022313268 524658023 /nfs/dbraw/zinc/65/80/23/524658023.db2.gz PSCVZMZFXACLSU-HOTGVXAUSA-N 0 0 442.541 2.333 50 0 IEAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CNC(=O)c3ccco3)c2)cc1 ZINC000022678295 524697204 /nfs/dbraw/zinc/69/72/04/524697204.db2.gz APNYOHJFISPTCZ-UHFFFAOYSA-N 0 0 429.454 2.458 50 0 IEAARN C[C@@H]1CN(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C[C@H](C)O1 ZINC000012632062 524784825 /nfs/dbraw/zinc/78/48/25/524784825.db2.gz NNWKKJSAXDUTQD-IYBDPMFKSA-N 0 0 438.480 2.395 50 0 IEAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c2cc(Cl)ccc2O1 ZINC000020902368 524803321 /nfs/dbraw/zinc/80/33/21/524803321.db2.gz KJUUXIAXACCCRJ-CQSZACIVSA-N 0 0 448.951 2.483 50 0 IEAARN COc1ccccc1[C@]1(CC(=O)N2CCC[C@H](C(=O)c3cccnc3)C2)CC(=O)N(C)C1=O ZINC000012036244 524821483 /nfs/dbraw/zinc/82/14/83/524821483.db2.gz JAAVDXLFMCRPIG-AVRWGWEMSA-N 0 0 449.507 2.228 50 0 IEAARN COc1ccc(OC)c(NC(=O)CN2C(=O)COc3ccc(C(=O)N4CCCC4)cc32)c1 ZINC000035376797 524850048 /nfs/dbraw/zinc/85/00/48/524850048.db2.gz GPGIQPUOQHFKJZ-UHFFFAOYSA-N 0 0 439.468 2.304 50 0 IEAARN COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)c1 ZINC000035432557 524874988 /nfs/dbraw/zinc/87/49/88/524874988.db2.gz RBFYVZDVBCBKBI-UHFFFAOYSA-N 0 0 443.525 2.112 50 0 IEAARN Cc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000035452313 524881174 /nfs/dbraw/zinc/88/11/74/524881174.db2.gz TXSGSAAWLJXPMX-UHFFFAOYSA-N 0 0 437.905 2.263 50 0 IEAARN COc1ccc(OC)c([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCN(C)CC2)c1 ZINC000036059593 524915878 /nfs/dbraw/zinc/91/58/78/524915878.db2.gz NHISXLLYDQFZHI-NHCUHLMSSA-N 0 0 429.561 2.210 50 0 IEAARN C[C@H](NC(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000022790858 524954809 /nfs/dbraw/zinc/95/48/09/524954809.db2.gz JKMVYPYLZPAZTH-WMZHIEFXSA-N 0 0 441.597 2.336 50 0 IEAARN COc1ccc(OCCN2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)cc1 ZINC000012799548 524954734 /nfs/dbraw/zinc/95/47/34/524954734.db2.gz KUXCCLDUXYCMPI-UHFFFAOYSA-N 0 0 425.529 2.347 50 0 IEAARN COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000021886611 524976971 /nfs/dbraw/zinc/97/69/71/524976971.db2.gz TWQBRVDDGCVIKM-UHFFFAOYSA-N 0 0 431.470 2.345 50 0 IEAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)CC2=O)cc1C ZINC000065032178 524979184 /nfs/dbraw/zinc/97/91/84/524979184.db2.gz IBPKAIWCWKDECZ-HNNXBMFYSA-N 0 0 435.571 2.285 50 0 IEAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(C)c1 ZINC000020614208 525004024 /nfs/dbraw/zinc/00/40/24/525004024.db2.gz SGEZLQNYDRNQNL-IBGZPJMESA-N 0 0 425.485 2.160 50 0 IEAARN COc1ccc(S(=O)(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000035672540 525015655 /nfs/dbraw/zinc/01/56/55/525015655.db2.gz HJEQXHIYEKWSAC-MRXNPFEDSA-N 0 0 425.528 2.082 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)cc1 ZINC000012391933 525034511 /nfs/dbraw/zinc/03/45/11/525034511.db2.gz PXPABCYXGBSERB-UHFFFAOYSA-N 0 0 446.554 2.398 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000034867509 525036638 /nfs/dbraw/zinc/03/66/38/525036638.db2.gz QAJQFZSOTINISB-UHFFFAOYSA-N 0 0 441.912 2.433 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000012690250 525038382 /nfs/dbraw/zinc/03/83/82/525038382.db2.gz CZFYZQCOXIKFJN-INIZCTEOSA-N 0 0 445.541 2.231 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)c(OC)c1 ZINC000012443473 525039096 /nfs/dbraw/zinc/03/90/96/525039096.db2.gz JNIMHBNDTGSTPW-UHFFFAOYSA-N 0 0 441.513 2.067 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 ZINC000020555157 525039313 /nfs/dbraw/zinc/03/93/13/525039313.db2.gz CLEANOKYUGGTLR-UHFFFAOYSA-N 0 0 431.562 2.377 50 0 IEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)C[C@H](C)O1 ZINC000012789110 525051208 /nfs/dbraw/zinc/05/12/08/525051208.db2.gz WBSIILCOPKVMBO-QEEYODRMSA-N 0 0 444.509 2.205 50 0 IEAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000035271001 525052937 /nfs/dbraw/zinc/05/29/37/525052937.db2.gz AOGPOTWNZUFSEO-UHFFFAOYSA-N 0 0 444.482 2.176 50 0 IEAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)cc2NC1=O ZINC000012783829 525064392 /nfs/dbraw/zinc/06/43/92/525064392.db2.gz QIEDCMZRCZIUPE-FIKIJFGZSA-N 0 0 440.481 2.349 50 0 IEAARN COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1NC(C)=O ZINC000012854460 525070897 /nfs/dbraw/zinc/07/08/97/525070897.db2.gz OFHGIFPVDDRWGB-FQEVSTJZSA-N 0 0 433.530 2.005 50 0 IEAARN Cc1ccc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)cc1 ZINC000022909015 525078837 /nfs/dbraw/zinc/07/88/37/525078837.db2.gz YAGIYWUZVALPQD-UHFFFAOYSA-N 0 0 442.585 2.494 50 0 IEAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)NCc2ccc(F)cc2)s1 ZINC000021011205 525089849 /nfs/dbraw/zinc/08/98/49/525089849.db2.gz GZWDEEJEDWDFLE-UHFFFAOYSA-N 0 0 436.494 2.080 50 0 IEAARN Cc1ccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1C ZINC000021713853 525102091 /nfs/dbraw/zinc/10/20/91/525102091.db2.gz MQDFSZLYRRNRMU-UHFFFAOYSA-N 0 0 435.459 2.340 50 0 IEAARN Cc1ccccc1CN1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000022804202 525142668 /nfs/dbraw/zinc/14/26/68/525142668.db2.gz INPQQXMOGNQFGG-JOCHJYFZSA-N 0 0 433.618 2.071 50 0 IEAARN Cc1ccccc1CN1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000022804207 525143990 /nfs/dbraw/zinc/14/39/90/525143990.db2.gz INPQQXMOGNQFGG-QFIPXVFZSA-N 0 0 433.618 2.071 50 0 IEAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000001001629 525176787 /nfs/dbraw/zinc/17/67/87/525176787.db2.gz AXIOISKSTBJCDK-UHFFFAOYSA-N 0 0 428.308 2.376 50 0 aggregator IEAARN Cc1ccccc1COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CO)cc1=O ZINC000012231284 525177447 /nfs/dbraw/zinc/17/74/47/525177447.db2.gz JAGDIEKSBONILP-UHFFFAOYSA-N 0 0 436.464 2.273 50 0 IEAARN C[C@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1cc(F)ccc1F ZINC000021528416 525200971 /nfs/dbraw/zinc/20/09/71/525200971.db2.gz XXVVAFGBACOIGJ-HXUWFJFHSA-N 0 0 443.516 2.171 50 0 IEAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccccc1F ZINC000023996555 525201423 /nfs/dbraw/zinc/20/14/23/525201423.db2.gz RMZHNCJMBGMYAA-HNNXBMFYSA-N 0 0 435.521 2.404 50 0 IEAARN C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccc(Cl)cc1 ZINC000021528738 525212537 /nfs/dbraw/zinc/21/25/37/525212537.db2.gz LOAYIWTZMXYENP-OAQYLSRUSA-N 0 0 449.960 2.019 50 0 IEAARN C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022436914 525215070 /nfs/dbraw/zinc/21/50/70/525215070.db2.gz IKCJYOTVXKXSFU-QGZVFWFLSA-N 0 0 431.558 2.483 50 0 IEAARN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)no1 ZINC000012028797 525229515 /nfs/dbraw/zinc/22/95/15/525229515.db2.gz RDGXXJLFVKNDEQ-SFHVURJKSA-N 0 0 440.481 2.006 50 0 IEAARN C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000021871362 525243178 /nfs/dbraw/zinc/24/31/78/525243178.db2.gz VHCSRGNNHPMGHC-INIZCTEOSA-N 0 0 441.509 2.084 50 0 IEAARN Cc1ccc(NC(=O)c2cnc(SCC(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1C ZINC000012236992 525253534 /nfs/dbraw/zinc/25/35/34/525253534.db2.gz WJIDFEFYOGJOKU-MRXNPFEDSA-N 0 0 430.530 2.037 50 0 IEAARN CS(=O)(=O)c1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 ZINC000012879701 525266210 /nfs/dbraw/zinc/26/62/10/525266210.db2.gz BECPHIKJKJAGBE-MRXNPFEDSA-N 0 0 441.509 2.148 50 0 IEAARN Cc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000017136044 525279717 /nfs/dbraw/zinc/27/97/17/525279717.db2.gz ORZMIOXBGCTMCO-UHFFFAOYSA-N 0 0 443.511 2.306 50 0 IEAARN COc1ccc([C@@]2(CC(=O)N(C)Cc3nonc3C)CC(=O)N(CCC(C)C)C2=O)cc1 ZINC000014883233 525285343 /nfs/dbraw/zinc/28/53/43/525285343.db2.gz PYELAWBJUNEQBE-HSZRJFAPSA-N 0 0 442.516 2.478 50 0 IEAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O ZINC000022804780 525319231 /nfs/dbraw/zinc/31/92/31/525319231.db2.gz RBVTWNMWMRQBFN-JOCHJYFZSA-N 0 0 442.541 2.062 50 0 IEAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000012913513 525352245 /nfs/dbraw/zinc/35/22/45/525352245.db2.gz GEOJRMKQAWZLQB-QGZVFWFLSA-N 0 0 434.968 2.005 50 0 IEAARN Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1Br ZINC000012697961 525397985 /nfs/dbraw/zinc/39/79/85/525397985.db2.gz FOEUKGHMZDPFSL-UHFFFAOYSA-N 0 0 444.395 2.076 50 0 IEAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(F)c2)c1C(=O)N1CCCC1 ZINC000032996387 525412625 /nfs/dbraw/zinc/41/26/25/525412625.db2.gz PNIFGEVUDBOAFO-UHFFFAOYSA-N 0 0 436.509 2.314 50 0 IEAARN COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)C(F)(F)F)cc1 ZINC000035099354 525445744 /nfs/dbraw/zinc/44/57/44/525445744.db2.gz PQRKJNKIHJNOFV-TXPKVOOTSA-N 0 0 438.358 2.371 50 0 IEAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 ZINC000009629681 525486444 /nfs/dbraw/zinc/48/64/44/525486444.db2.gz LAGSVIJGLXLIIJ-UHFFFAOYSA-N 0 0 435.571 2.334 50 0 IEAARN Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 ZINC000012791701 525487375 /nfs/dbraw/zinc/48/73/75/525487375.db2.gz PDNVLVJVRJIIMQ-NRFANRHFSA-N 0 0 431.510 2.302 50 0 IEAARN Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 ZINC000012791697 525487886 /nfs/dbraw/zinc/48/78/86/525487886.db2.gz PDNVLVJVRJIIMQ-OAQYLSRUSA-N 0 0 431.510 2.302 50 0 IEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCC(=O)c1cccs1 ZINC000012660105 525492816 /nfs/dbraw/zinc/49/28/16/525492816.db2.gz REIQMTFXNOGVTK-UHFFFAOYSA-N 0 0 438.527 2.452 50 0 IEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000012846419 525494995 /nfs/dbraw/zinc/49/49/95/525494995.db2.gz VDAXQXDWYQRAMQ-UHFFFAOYSA-N 0 0 426.498 2.103 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c3ccccc3c(C)nn12 ZINC000034849553 525541389 /nfs/dbraw/zinc/54/13/89/525541389.db2.gz OHEFTZDADRLJMA-UHFFFAOYSA-N 0 0 436.541 2.497 50 0 IEAARN Cc1c(C(=O)N2CCN(CCO)CC2)cnn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000015008174 525583050 /nfs/dbraw/zinc/58/30/50/525583050.db2.gz VOFZAUGPHYZBRK-UHFFFAOYSA-N 0 0 432.484 2.134 50 0 IEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccccc3)C1)OCC(=O)N2 ZINC000035378930 525613153 /nfs/dbraw/zinc/61/31/53/525613153.db2.gz VZEYEHIJLBPEMW-KRWDZBQOSA-N 0 0 443.525 2.043 50 0 IEAARN Cc1cc2c(cc1S(=O)(=O)NCCOC13CC4CC(CC(C4)C1)C3)n(C)c(=O)n2C ZINC000012446827 525616252 /nfs/dbraw/zinc/61/62/52/525616252.db2.gz GZKQZRYTOXIHLM-UHFFFAOYSA-N 0 0 433.574 2.449 50 0 IEAARN COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(C)CC3)no2)c1 ZINC000036002411 525702920 /nfs/dbraw/zinc/70/29/20/525702920.db2.gz CXHYTHHEDPKTKO-QFIPXVFZSA-N 0 0 448.523 2.465 50 0 IEAARN COc1cccc(-c2nc(COC(=O)[C@H]3CCCN3S(C)(=O)=O)cs2)c1OC ZINC000012817618 525724899 /nfs/dbraw/zinc/72/48/99/525724899.db2.gz AIPARWPDLIZUDL-CQSZACIVSA-N 0 0 426.516 2.295 50 0 IEAARN Cc1ccc(-c2cnc(CCC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)o2)cc1C ZINC000040089313 525767364 /nfs/dbraw/zinc/76/73/64/525767364.db2.gz QUGWTCMCZQNESO-HDICACEKSA-N 0 0 449.573 2.446 50 0 IEAARN Cc1ccc(-c2cnc(CCC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1C ZINC000040089315 525767872 /nfs/dbraw/zinc/76/78/72/525767872.db2.gz QUGWTCMCZQNESO-ROUUACIJSA-N 0 0 449.573 2.446 50 0 IEAARN C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Cc2ccccc2C(=O)O1 ZINC000023122690 525786456 /nfs/dbraw/zinc/78/64/56/525786456.db2.gz REZMEIIDMTTWSO-NRFANRHFSA-N 0 0 448.928 2.345 50 0 IEAARN C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012425210 525890055 /nfs/dbraw/zinc/89/00/55/525890055.db2.gz OUBXGAXPRLSTQY-XIKOKIGWSA-N 0 0 428.466 2.466 50 0 IEAARN C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012907397 525891122 /nfs/dbraw/zinc/89/11/22/525891122.db2.gz AYIPYSHOCHFCCM-GTJPDFRWSA-N 0 0 425.466 2.285 50 0 IEAARN C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCc2ccccc2C1 ZINC000012888455 525893214 /nfs/dbraw/zinc/89/32/14/525893214.db2.gz JBEPGHRTLXMXSH-INIZCTEOSA-N 0 0 428.510 2.357 50 0 IEAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccc(C(N)=O)cc2)nc3C)c(C)c1 ZINC000012228730 525931799 /nfs/dbraw/zinc/93/17/99/525931799.db2.gz WYAWGISXIBDHJW-UHFFFAOYSA-N 0 0 430.468 2.245 50 0 IEAARN COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 ZINC000020744320 525964411 /nfs/dbraw/zinc/96/44/11/525964411.db2.gz CBLZKWKVIPITBC-UHFFFAOYSA-N 0 0 437.905 2.143 50 0 IEAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020622304 525966318 /nfs/dbraw/zinc/96/63/18/525966318.db2.gz BGTWBQPKTOINPP-UHFFFAOYSA-N 0 0 436.464 2.423 50 0 IEAARN Cc1c2ccccc2oc1-c1noc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000035512764 525977058 /nfs/dbraw/zinc/97/70/58/525977058.db2.gz QCIOXDOJLHCXCV-UHFFFAOYSA-N 0 0 426.454 2.411 50 0 IEAARN COc1cccc(CNC(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1 ZINC000012454252 526007153 /nfs/dbraw/zinc/00/71/53/526007153.db2.gz PARPONSLBXFRRA-UHFFFAOYSA-N 0 0 447.557 2.275 50 0 IEAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000022019997 526014853 /nfs/dbraw/zinc/01/48/53/526014853.db2.gz FYRWJNVGAGBKMV-QWRGUYRKSA-N 0 0 432.618 2.038 50 0 IEAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000012697880 526082662 /nfs/dbraw/zinc/08/26/62/526082662.db2.gz JNAFRYPBGFZIGY-GTJPDFRWSA-N 0 0 427.482 2.265 50 0 IEAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000035877351 526144592 /nfs/dbraw/zinc/14/45/92/526144592.db2.gz AKMSJYBOUWVCFU-UHFFFAOYSA-N 0 0 432.571 2.058 50 0 IEAARN Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)sc2n1 ZINC000033315296 526146340 /nfs/dbraw/zinc/14/63/40/526146340.db2.gz RIRNTDNOFLBKTO-ZFWWWQNUSA-N 0 0 441.513 2.077 50 0 IEAARN COc1cccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)c1 ZINC000012874969 526162992 /nfs/dbraw/zinc/16/29/92/526162992.db2.gz MJKJXGOXLXTVQE-MRXNPFEDSA-N 0 0 443.525 2.471 50 0 IEAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000012698034 526169526 /nfs/dbraw/zinc/16/95/26/526169526.db2.gz JVOTYNAHPNITRH-UHFFFAOYSA-N 0 0 429.278 2.444 50 0 IEAARN Cc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(C)cc2C)c(C)c1 ZINC000012805485 526237463 /nfs/dbraw/zinc/23/74/63/526237463.db2.gz HPKJRBALRDKUHD-UHFFFAOYSA-N 0 0 440.496 2.166 50 0 IEAARN Cc1ccc2[nH]c(CCNC(=O)[C@@H]3CCCN3c3nnc(N4CCCC4=O)s3)nc2c1 ZINC000021927128 526245819 /nfs/dbraw/zinc/24/58/19/526245819.db2.gz XGSWOFKCSVUGFY-INIZCTEOSA-N 0 0 439.545 2.177 50 0 IEAARN Cc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)sc2c1 ZINC000020994436 526253581 /nfs/dbraw/zinc/25/35/81/526253581.db2.gz KZZVUSWLQMNMRH-UHFFFAOYSA-N 0 0 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ZINC000010525752 555563098 /nfs/dbraw/zinc/56/30/98/555563098.db2.gz RRXBQRBTHSCSIM-UHFFFAOYSA-N 0 0 449.483 2.464 50 0 IEAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000818886 555563475 /nfs/dbraw/zinc/56/34/75/555563475.db2.gz QWSQDLDPYSCHEK-UHFFFAOYSA-N 0 0 426.498 2.210 50 0 IEAARN Cn1c2nc(N3CCCCC3)n(Cc3ccccc3Br)c2c(=O)n(C)c1=O ZINC000000832608 555566614 /nfs/dbraw/zinc/56/66/14/555566614.db2.gz PBCNSSGTDWMTKS-UHFFFAOYSA-N 0 0 432.322 2.235 50 0 biogenic IEAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@H]2CCCO2)cc1 ZINC000000857069 555571342 /nfs/dbraw/zinc/57/13/42/555571342.db2.gz UVZPWLVNKGJNQV-HXUWFJFHSA-N 0 0 432.542 2.224 50 0 IEAARN CCOC(=O)N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000879277 555576740 /nfs/dbraw/zinc/57/67/40/555576740.db2.gz HQFQGMXRVDLKFW-UHFFFAOYSA-N 0 0 445.541 2.491 50 0 IEAARN COc1ccc(OC)c(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)c1 ZINC000000882326 555578138 /nfs/dbraw/zinc/57/81/38/555578138.db2.gz 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Cc1c(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000001171462 555667017 /nfs/dbraw/zinc/66/70/17/555667017.db2.gz HDHNVIVAVFFLAK-UHFFFAOYSA-N 0 0 428.514 2.198 50 0 IEAARN CCOC(=O)/C=C/c1c(C)n(C(=O)c2ccccc2)c(=O)n(C(=O)c2ccccc2)c1=O ZINC000001204641 555679942 /nfs/dbraw/zinc/67/99/42/555679942.db2.gz KGNLHVXNSMEDHZ-CCEZHUSRSA-N 0 0 432.432 2.272 50 0 IEAARN O=c1/c(=C/c2ccc(Br)cc2)sc2nc(=O)c(Cc3ccccc3)nn12 ZINC000001247053 555687540 /nfs/dbraw/zinc/68/75/40/555687540.db2.gz BLWAZUNLYNBIIN-WJDWOHSUSA-N 0 0 426.295 2.412 50 0 IEAARN CCN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)C1=O ZINC000001747979 555712079 /nfs/dbraw/zinc/71/20/79/555712079.db2.gz LAVACRQREPQXDR-ZCXUNETKSA-N 0 0 432.461 2.028 50 0 IEAARN Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c21)CCC3 ZINC000002259533 555763496 /nfs/dbraw/zinc/76/34/96/555763496.db2.gz RMWRJXCAZCZLSO-UHFFFAOYSA-N 0 0 435.556 2.140 50 0 IEAARN Cc1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000002349940 555771044 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Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(C[C@@H](O)COC(C)C)CC3)n2)c1 ZINC000034677325 555795377 /nfs/dbraw/zinc/79/53/77/555795377.db2.gz GZAGTFHURKIEFQ-QGZVFWFLSA-N 0 0 434.512 2.278 50 0 IEAARN CC(C)OC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677523 555795760 /nfs/dbraw/zinc/79/57/60/555795760.db2.gz XPTGNVPTXVKKKH-SFHVURJKSA-N 0 0 436.940 2.484 50 0 IEAARN CCOC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677569 555795976 /nfs/dbraw/zinc/79/59/76/555795976.db2.gz DBVUWBAKYDOFER-KRWDZBQOSA-N 0 0 436.940 2.404 50 0 IEAARN CCN(Cc1ccccc1)C(=O)c1coc(CN2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000034677847 555796514 /nfs/dbraw/zinc/79/65/14/555796514.db2.gz SXYIRWOXXHLZDQ-NRFANRHFSA-N 0 0 444.576 2.240 50 0 IEAARN COCCN(C[C@H]1CN(C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000034691434 555804127 /nfs/dbraw/zinc/80/41/27/555804127.db2.gz SFBNGIZDCXSZTN-DHIUTWEWSA-N 0 0 430.520 2.219 50 0 IEAARN CCNC(=O)N1CCO[C@H](CN2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000034692105 555805070 /nfs/dbraw/zinc/80/50/70/555805070.db2.gz OAQIICSYLZQYOW-GOSISDBHSA-N 0 0 442.482 2.284 50 0 IEAARN COCCn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2cccc(F)c2)c1=O ZINC000034694035 555809186 /nfs/dbraw/zinc/80/91/86/555809186.db2.gz ZFPIRRJOCGRRNN-UHFFFAOYSA-N 0 0 430.386 2.461 50 0 IEAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nn(C)cc1I ZINC000002762783 555813414 /nfs/dbraw/zinc/81/34/14/555813414.db2.gz CHKKLBVLFMTWKB-UHFFFAOYSA-N 0 0 445.213 2.081 50 0 IEAARN COC(=O)c1c(NC(=S)N2CCN(S(C)(=O)=O)CC2)sc2c1CCCCCC2 ZINC000002851919 555839896 /nfs/dbraw/zinc/83/98/96/555839896.db2.gz PSZHUFYZFYTFRI-UHFFFAOYSA-N 0 0 445.632 2.468 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)o2)cc1 ZINC000002859229 555843529 /nfs/dbraw/zinc/84/35/29/555843529.db2.gz SKWQYBPXQMMELA-UHFFFAOYSA-N 0 0 432.321 2.419 50 0 IEAARN Cc1ccc(S(=O)(=O)N(CCCO)C[C@@H](O)Cn2cc(C=O)c3ccccc32)cc1 ZINC000002887183 555858681 /nfs/dbraw/zinc/85/86/81/555858681.db2.gz HNKFWCNBLXCBCR-IBGZPJMESA-N 0 0 430.526 2.196 50 0 IEAARN COCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000002887783 555858783 /nfs/dbraw/zinc/85/87/83/555858783.db2.gz AKJIPBYHQWPDRK-INIZCTEOSA-N 0 0 433.530 2.164 50 0 IEAARN CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 ZINC000002900986 555860603 /nfs/dbraw/zinc/86/06/03/555860603.db2.gz DSHGJIOFOKTOHN-UHFFFAOYSA-N 0 0 429.477 2.285 50 0 IEAARN Cc1ccc(F)c(CN2CCc3nc(N4CCN(C)CC4)nc(N4CCOCC4)c3C2)c1 ZINC000034755435 555900126 /nfs/dbraw/zinc/90/01/26/555900126.db2.gz DEKKCLUHVHYUSS-UHFFFAOYSA-N 0 0 440.567 2.071 50 0 IEAARN C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000034884296 555926655 /nfs/dbraw/zinc/92/66/55/555926655.db2.gz YKWRDYVUZFAUST-ZNMIVQPWSA-N 0 0 446.525 2.123 50 0 IEAARN COc1ccc(CCNC(=O)CCS(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000003665180 555944814 /nfs/dbraw/zinc/94/48/14/555944814.db2.gz YPYJMQPUVGBSLF-UHFFFAOYSA-N 0 0 435.527 2.231 50 0 IEAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000004196228 555975324 /nfs/dbraw/zinc/97/53/24/555975324.db2.gz MZCMMISMANXPAY-UHFFFAOYSA-N 0 0 448.541 2.430 50 0 IEAARN O=C(CNC(=O)c1ccco1)NCC(=O)OCc1cccc(C(=O)Oc2ccccc2)c1 ZINC000004196512 555975440 /nfs/dbraw/zinc/97/54/40/555975440.db2.gz AZYFHOQQSNPHKT-UHFFFAOYSA-N 0 0 436.420 2.088 50 0 IEAARN NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc(I)c2)cc1 ZINC000071900991 556004650 /nfs/dbraw/zinc/00/46/50/556004650.db2.gz YZSFPDFRVVBLEU-UHFFFAOYSA-N 0 0 445.282 2.303 50 0 IEAARN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000004763040 556010240 /nfs/dbraw/zinc/01/02/40/556010240.db2.gz HDAAHSBIRUHTPW-UIAACRFSSA-N 0 0 427.501 2.246 50 0 IEAARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000004761904 556010325 /nfs/dbraw/zinc/01/03/25/556010325.db2.gz IAYNHAFLVMMCRD-PMACEKPBSA-N 0 0 427.501 2.246 50 0 IEAARN CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(CC)cc1 ZINC000006162114 556078860 /nfs/dbraw/zinc/07/88/60/556078860.db2.gz VBZRGCPLGQKOIH-OAHLLOKOSA-N 0 0 432.546 2.318 50 0 IEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000006353776 556085632 /nfs/dbraw/zinc/08/56/32/556085632.db2.gz RLUVCVKYRFJPNQ-MTGKDYNDSA-N 0 0 435.505 2.202 50 0 IEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000006353943 556085675 /nfs/dbraw/zinc/08/56/75/556085675.db2.gz BOFUPJMLPOWZML-MTGKDYNDSA-N 0 0 435.505 2.202 50 0 IEAARN O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002723447 556128819 /nfs/dbraw/zinc/12/88/19/556128819.db2.gz YWNFAMSUZKNDHO-UHFFFAOYSA-N 0 0 432.433 2.149 50 0 IEAARN CCn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Br)cs3)CC2)c(C)n1 ZINC000002731501 556134444 /nfs/dbraw/zinc/13/44/44/556134444.db2.gz ICTBWLMHALCAFQ-UHFFFAOYSA-N 0 0 447.380 2.182 50 0 IEAARN Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000002802314 556142620 /nfs/dbraw/zinc/14/26/20/556142620.db2.gz VYJOBEKIOQLSHO-NSHDSACASA-N 0 0 445.314 2.361 50 0 IEAARN CCCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002803994 556143035 /nfs/dbraw/zinc/14/30/35/556143035.db2.gz LRLQEOLDXIRCHA-UHFFFAOYSA-N 0 0 446.547 2.020 50 0 IEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(CC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000002806367 556143628 /nfs/dbraw/zinc/14/36/28/556143628.db2.gz QLWAABZJBNGTTC-FVLHSZHDSA-N 0 0 428.539 2.076 50 0 IEAARN COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)ccc1OC(F)F ZINC000002806418 556145207 /nfs/dbraw/zinc/14/52/07/556145207.db2.gz GMEAGJQMFQBCLY-GFCCVEGCSA-N 0 0 444.460 2.070 50 0 IEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000008443779 556178380 /nfs/dbraw/zinc/17/83/80/556178380.db2.gz IKERNSPTQDBGDT-ZIAGYGMSSA-N 0 0 430.498 2.437 50 0 IEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008454020 556184636 /nfs/dbraw/zinc/18/46/36/556184636.db2.gz ISXYLFIYDJBBNT-SQWSFHKJSA-N 0 0 435.505 2.202 50 0 IEAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C(C)=O)cc3)=C2)c1 ZINC000008587801 556188270 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O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1)N1CCc2ccccc21 ZINC000033021102 556685543 /nfs/dbraw/zinc/68/55/43/556685543.db2.gz WGEMKPWGXYRQJI-MRXNPFEDSA-N 0 0 441.509 2.008 50 0 IEAARN Cc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021347 556685885 /nfs/dbraw/zinc/68/58/85/556685885.db2.gz BOEHTLOUHFEZJS-MRXNPFEDSA-N 0 0 443.525 2.390 50 0 IEAARN COc1cc(-c2noc(COC(=O)CNC(=O)c3ccc(N)cc3)n2)ccc1OC(F)F ZINC000072312578 556687640 /nfs/dbraw/zinc/68/76/40/556687640.db2.gz PGVONPVKODHTPA-UHFFFAOYSA-N 0 0 448.382 2.402 50 0 IEAARN CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccco4)C3)ccc21 ZINC000033023451 556693551 /nfs/dbraw/zinc/69/35/51/556693551.db2.gz CJOFTVYUZYAAHO-MRXNPFEDSA-N 0 0 445.545 2.194 50 0 IEAARN Cn1c2ncn(CCOC(=O)c3ccc(-c4ccccc4Cl)o3)c2c(=O)n(C)c1=O ZINC000024222418 556694498 /nfs/dbraw/zinc/69/44/98/556694498.db2.gz IPULPKSFKPPMMS-UHFFFAOYSA-N 0 0 428.832 2.204 50 0 IEAARN Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)n(C)n1 ZINC000013614993 556702900 /nfs/dbraw/zinc/70/29/00/556702900.db2.gz ONGIJIGKOFLGBK-LBPRGKRZSA-N 0 0 436.519 2.022 50 0 IEAARN O=C(NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000060334853 556706877 /nfs/dbraw/zinc/70/68/77/556706877.db2.gz OANAWRFJRLFNKO-KRWDZBQOSA-N 0 0 436.350 2.476 50 0 IEAARN NC(=O)C1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000013719175 556717687 /nfs/dbraw/zinc/71/76/87/556717687.db2.gz FAGHSUJMZWUXPZ-UHFFFAOYSA-N 0 0 441.981 2.149 50 0 IEAARN COc1cc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc(OC)c1OC ZINC000072325706 556723535 /nfs/dbraw/zinc/72/35/35/556723535.db2.gz RAVUMGCWJIAZFO-KRWDZBQOSA-N 0 0 439.468 2.302 50 0 biogenic IEAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000061718994 556726112 /nfs/dbraw/zinc/72/61/12/556726112.db2.gz GWDJGTUFVNPYNO-QGZVFWFLSA-N 0 0 441.484 2.270 50 0 IEAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000061719695 556726654 /nfs/dbraw/zinc/72/66/54/556726654.db2.gz LXNHFOUEVIJYIB-INIZCTEOSA-N 0 0 429.523 2.192 50 0 IEAARN COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000882469 556733422 /nfs/dbraw/zinc/73/34/22/556733422.db2.gz XDRCIGLVRDNXHZ-QGZVFWFLSA-N 0 0 434.514 2.194 50 0 IEAARN Cc1ccccc1N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)CC1 ZINC000055167326 556736664 /nfs/dbraw/zinc/73/66/64/556736664.db2.gz LSEJLPMGXRAQDW-NRFANRHFSA-N 0 0 442.510 2.313 50 0 IEAARN CCN(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000055182765 556737016 /nfs/dbraw/zinc/73/70/16/556737016.db2.gz RLWKVFQPTVIFLI-GOSISDBHSA-N 0 0 437.466 2.178 50 0 IEAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccnc2)CC1 ZINC000055211155 556737673 /nfs/dbraw/zinc/73/76/73/556737673.db2.gz MMKHLWGCAVMFDR-NRFANRHFSA-N 0 0 441.963 2.083 50 0 IEAARN CCC[C@@H]1CN(CC(=O)N(C)c2nccs2)CCN1CC(=O)N(C)c1nccs1 ZINC000079058932 556738124 /nfs/dbraw/zinc/73/81/24/556738124.db2.gz VMUBOXLVEJBPMQ-OAHLLOKOSA-N 0 0 436.607 2.012 50 0 IEAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)CCC1CCOCC1 ZINC000055225166 556738263 /nfs/dbraw/zinc/73/82/63/556738263.db2.gz GVMVPWYQUNWIDA-GZNAHNRGSA-N 0 0 429.561 2.174 50 0 IEAARN COc1ccc(-c2noc(CN3CCN(c4nc(C)cnc4C)CC3)n2)c(OC)c1OC ZINC000055243556 556738679 /nfs/dbraw/zinc/73/86/79/556738679.db2.gz WPBAAAINARXDCA-UHFFFAOYSA-N 0 0 440.504 2.491 50 0 IEAARN CCCS(=O)(=O)c1ncc(CN2CCN(c3ccccc3)C(=O)C2)n1C[C@H]1CCCO1 ZINC000055368751 556740659 /nfs/dbraw/zinc/74/06/59/556740659.db2.gz USFKZZGBEMOWKV-HXUWFJFHSA-N 0 0 446.573 2.095 50 0 IEAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc2nonc2c1 ZINC000055575250 556742491 /nfs/dbraw/zinc/74/24/91/556742491.db2.gz BFRHHUXHPRIZMM-GZNAHNRGSA-N 0 0 449.511 2.094 50 0 IEAARN O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000033047624 556743026 /nfs/dbraw/zinc/74/30/26/556743026.db2.gz CSNFOGGNFUDNCV-UHFFFAOYSA-N 0 0 440.490 2.462 50 0 IEAARN CCOc1cc(C(=O)NN=c2nc(OC)cc[nH]2)ccc1OCC(=O)N1CCCCC1 ZINC000069950477 556747547 /nfs/dbraw/zinc/74/75/47/556747547.db2.gz FRANGSHAHDYZIP-UHFFFAOYSA-N 0 0 429.477 2.032 50 0 IEAARN COc1cc(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1OC ZINC000206240812 556749487 /nfs/dbraw/zinc/74/94/87/556749487.db2.gz UKZIPXMKFCCSCC-MRXNPFEDSA-N 0 0 427.457 2.204 50 0 IEAARN COc1cc2c(cc1OC)CN(C(=O)C[C@H]1NC(=O)N(CCc3ccccc3)C1=O)CC2 ZINC000206240833 556749529 /nfs/dbraw/zinc/74/95/29/556749529.db2.gz AQDYSCSJQNXSOU-LJQANCHMSA-N 0 0 437.496 2.142 50 0 IEAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3nc4ccccc4n3C)C2=O)cc1 ZINC000206252340 556749729 /nfs/dbraw/zinc/74/97/29/556749729.db2.gz QYUUXIACOFPFKA-GOSISDBHSA-N 0 0 435.484 2.099 50 0 IEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc3c2OCCO3)c(=O)[nH]c1=O ZINC000057991248 556750907 /nfs/dbraw/zinc/75/09/07/556750907.db2.gz ANBHXTWLCFCLIC-UHFFFAOYSA-N 0 0 430.505 2.383 50 0 IEAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000058014349 556753490 /nfs/dbraw/zinc/75/34/90/556753490.db2.gz OOHUTMWEUTWFHA-FQEVSTJZSA-N 0 0 428.512 2.156 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](OC[C@H]1CCCO1)C(C)C ZINC000058061178 556756164 /nfs/dbraw/zinc/75/61/64/556756164.db2.gz XHVJTDZFYSOSMH-YLJYHZDGSA-N 0 0 440.562 2.175 50 0 IEAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC000058156561 556762778 /nfs/dbraw/zinc/76/27/78/556762778.db2.gz OKSOLSZGNGRILN-UHFFFAOYSA-N 0 0 437.481 2.007 50 0 IEAARN COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000061991185 556763529 /nfs/dbraw/zinc/76/35/29/556763529.db2.gz MHTNSZSQTDOLMT-CZMAPVLFSA-N 0 0 441.553 2.264 50 0 biogenic IEAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)C(=O)NC3)C1=O ZINC000058159872 556764044 /nfs/dbraw/zinc/76/40/44/556764044.db2.gz KQRAYECELPYGBY-DEOSSOPVSA-N 0 0 428.448 2.489 50 0 IEAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 ZINC000058161463 556765133 /nfs/dbraw/zinc/76/51/33/556765133.db2.gz JKBVYDORJDJGBU-GFCCVEGCSA-N 0 0 446.455 2.079 50 0 IEAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCC(=O)NCc2ccccc2)C(C)C)c1 ZINC000058161444 556765136 /nfs/dbraw/zinc/76/51/36/556765136.db2.gz LEJYMZYEGNFCQL-JOCHJYFZSA-N 0 0 441.528 2.281 50 0 IEAARN Cc1cc(C)n(CCN2CCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)CC2)n1 ZINC000062022073 556765997 /nfs/dbraw/zinc/76/59/97/556765997.db2.gz ZLDSWNJOVIHBSM-UHFFFAOYSA-N 0 0 432.590 2.069 50 0 IEAARN COc1cc(OC)cc([C@H](NC(=O)[C@H]2CCCN(c3cnccn3)C2)c2nccn2C)c1 ZINC000058162761 556766048 /nfs/dbraw/zinc/76/60/48/556766048.db2.gz LGVNYOPFMZGOOE-KKSFZXQISA-N 0 0 436.516 2.350 50 0 IEAARN CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4ncccn4)no3)C2)s1 ZINC000062022916 556766344 /nfs/dbraw/zinc/76/63/44/556766344.db2.gz GAMDJYPPISBVAB-LLVKDONJSA-N 0 0 432.535 2.341 50 0 IEAARN Cn1c2nc(Br)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000002570367 556768236 /nfs/dbraw/zinc/76/82/36/556768236.db2.gz FTGYHYHFELGSEE-UHFFFAOYSA-N 0 0 428.084 2.007 50 0 IEAARN O=C(NC1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CC1)c1ccc[nH]1 ZINC000058173507 556768935 /nfs/dbraw/zinc/76/89/35/556768935.db2.gz LEPXEOJFNUPJBD-UHFFFAOYSA-N 0 0 444.557 2.224 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000058177764 556769664 /nfs/dbraw/zinc/76/96/64/556769664.db2.gz YVGFGURBXZVNNU-UHFFFAOYSA-N 0 0 445.950 2.186 50 0 IEAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCO ZINC000206597759 556770505 /nfs/dbraw/zinc/77/05/05/556770505.db2.gz YKRWIVINXJELGP-UHFFFAOYSA-N 0 0 433.511 2.358 50 0 IEAARN CCc1c(C(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)[nH]c(C)c1C(C)=O ZINC000058202634 556771518 /nfs/dbraw/zinc/77/15/18/556771518.db2.gz IHXGAIZFIPMFSB-IRXDYDNUSA-N 0 0 430.593 2.393 50 0 IEAARN CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc(-c2ccccc2)c[nH]1 ZINC000058246761 556775568 /nfs/dbraw/zinc/77/55/68/556775568.db2.gz SREUUHVVYVIQGP-AWEZNQCLSA-N 0 0 425.470 2.036 50 0 IEAARN Cc1ccc(NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(OCc2ccccc2)c1 ZINC000058268988 556777031 /nfs/dbraw/zinc/77/70/31/556777031.db2.gz YQIHKAJMGSUVHJ-SFHVURJKSA-N 0 0 445.541 2.389 50 0 IEAARN Cc1cc(C)c2c(OCC(=O)NC[C@H](C)N3CCN(c4ccccc4)CC3)nn(C)c2n1 ZINC000058305067 556778837 /nfs/dbraw/zinc/77/88/37/556778837.db2.gz UASSQBPBJHQTKF-IBGZPJMESA-N 0 0 436.560 2.291 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3noc(-c4ccco4)n3)C2)s1 ZINC000058312490 556780163 /nfs/dbraw/zinc/78/01/63/556780163.db2.gz DQTAZTRIJPPAFQ-ZDUSSCGKSA-N 0 0 436.515 2.417 50 0 IEAARN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000058370195 556783480 /nfs/dbraw/zinc/78/34/80/556783480.db2.gz VAFLFAHVMMFWGS-QAPCUYQASA-N 0 0 439.541 2.430 50 0 IEAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCc1cc(F)cc3c1OCOC3)C2=O ZINC000058394115 556785069 /nfs/dbraw/zinc/78/50/69/556785069.db2.gz BBOCSSLTCWSUSM-LFVRLGFBSA-N 0 0 447.507 2.488 50 0 IEAARN CC(C)[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)c1nc(-c2ccncc2)no1 ZINC000058403490 556785688 /nfs/dbraw/zinc/78/56/88/556785688.db2.gz JYLWBXYPZPFQBO-RHSMWYFYSA-N 0 0 433.472 2.283 50 0 IEAARN CCN1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000019527832 556787459 /nfs/dbraw/zinc/78/74/59/556787459.db2.gz VYGQFTWMUCEVPP-UHFFFAOYSA-N 0 0 427.876 2.289 50 0 IEAARN CCN1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019527853 556787770 /nfs/dbraw/zinc/78/77/70/556787770.db2.gz BRTIEFKVQBWQAS-UHFFFAOYSA-N 0 0 431.558 2.363 50 0 IEAARN COc1ccc(CCN2C[C@H](C(=O)N3CCC(n4ccnc4)CC3)CC2=O)cc1OC ZINC000058439801 556788670 /nfs/dbraw/zinc/78/86/70/556788670.db2.gz KWPNXTWWUQMRJN-GOSISDBHSA-N 0 0 426.517 2.155 50 0 IEAARN O=C(NCc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000058688278 556791235 /nfs/dbraw/zinc/79/12/35/556791235.db2.gz BLGAEZKSTREVPA-UHFFFAOYSA-N 0 0 439.331 2.400 50 0 IEAARN CS(=O)(=O)NC[C@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000058919325 556793160 /nfs/dbraw/zinc/79/31/60/556793160.db2.gz DZORYWUUHKYDAO-GFCCVEGCSA-N 0 0 429.340 2.403 50 0 IEAARN Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(-n5cnnn5)cc4)C3)nn2)n1 ZINC000062164411 556798145 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557201714 /nfs/dbraw/zinc/20/17/14/557201714.db2.gz KJSPOMTYWRXQTC-GOSISDBHSA-N 0 0 433.486 2.238 50 0 IEAARN Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 ZINC000025405226 557208636 /nfs/dbraw/zinc/20/86/36/557208636.db2.gz KSCWUZIDKCFLHF-OAQYLSRUSA-N 0 0 444.553 2.061 50 0 IEAARN COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(C)cc1 ZINC000025457866 557210694 /nfs/dbraw/zinc/21/06/94/557210694.db2.gz WIQRNJAIJQDZOP-MBSDFSHPSA-N 0 0 441.459 2.322 50 0 IEAARN COC(=O)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(C)cc1 ZINC000025457860 557210817 /nfs/dbraw/zinc/21/08/17/557210817.db2.gz WIQRNJAIJQDZOP-JPYJTQIMSA-N 0 0 441.459 2.322 50 0 IEAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccccc3Cl)c(=O)n3c2CCCC3)no1 ZINC000169763933 557211214 /nfs/dbraw/zinc/21/12/14/557211214.db2.gz HPTRJDGYJHZOHE-UHFFFAOYSA-N 0 0 429.864 2.251 50 0 IEAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3ccc(C)cc3Cl)c(=O)n3c2CCCC3)no1 ZINC000169763901 557211274 /nfs/dbraw/zinc/21/12/74/557211274.db2.gz 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COc1ccc(OC)c(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000025538671 557213346 /nfs/dbraw/zinc/21/33/46/557213346.db2.gz QNFHUGUONBODOG-QFIPXVFZSA-N 0 0 426.425 2.168 50 0 IEAARN CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cs1 ZINC000025572287 557215127 /nfs/dbraw/zinc/21/51/27/557215127.db2.gz ZXOCQIYWQNTQLJ-UHFFFAOYSA-N 0 0 434.587 2.487 50 0 IEAARN COc1cccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3CC(C)C)c1 ZINC000010525737 557222215 /nfs/dbraw/zinc/22/22/15/557222215.db2.gz DLAHRDSIWIGIMZ-UHFFFAOYSA-N 0 0 443.529 2.194 50 0 IEAARN CC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)C=Cc3ccccc3)CC1)C2=O ZINC000025748515 557224270 /nfs/dbraw/zinc/22/42/70/557224270.db2.gz HJNAWOMFAGAMJZ-CXUHLZMHSA-N 0 0 446.573 2.063 50 0 IEAARN CN(CC(=O)Nc1cccc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000025777484 557225496 /nfs/dbraw/zinc/22/54/96/557225496.db2.gz QKJPTKJFWKKTQR-UHFFFAOYSA-N 0 0 440.525 2.331 50 0 IEAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025807604 557227157 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ZINC000018180503 557245957 /nfs/dbraw/zinc/24/59/57/557245957.db2.gz JSLUOVFOJJMTGM-XSDIEEQYSA-N 0 0 431.448 2.301 50 0 IEAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ncc[nH]3)[C@@H]21 ZINC000604404931 557248036 /nfs/dbraw/zinc/24/80/36/557248036.db2.gz JLRVTDUHKASOJZ-LJQANCHMSA-N 0 0 433.424 2.180 50 0 biogenic IEAARN COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604405310 557248962 /nfs/dbraw/zinc/24/89/62/557248962.db2.gz YSROWBBGXAUAFH-MRXNPFEDSA-N 0 0 425.441 2.252 50 0 biogenic IEAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccncc2)no1 ZINC000604419239 557251234 /nfs/dbraw/zinc/25/12/34/557251234.db2.gz VKQVAGIPFAOCHU-NVVBAYIOSA-N 0 0 433.468 2.290 50 0 IEAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000018224719 557253016 /nfs/dbraw/zinc/25/30/16/557253016.db2.gz STROJBWTULVJLT-UHFFFAOYSA-N 0 0 446.510 2.381 50 0 IEAARN CCN(CC)C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000027026978 557255969 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CC(C)[C@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nnc2n1CCC2 ZINC000072271449 557263497 /nfs/dbraw/zinc/26/34/97/557263497.db2.gz OHIWDJYOCJRTOC-NRFANRHFSA-N 0 0 425.533 2.355 50 0 IEAARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000027773894 557273517 /nfs/dbraw/zinc/27/35/17/557273517.db2.gz HDPJTYBQQBGAFZ-CYBMUJFWSA-N 0 0 425.459 2.297 50 0 IEAARN COc1cccc(-c2nc3c(N)n(-c4cccc(C(F)(F)F)c4)c(=O)nc3c(=O)[nH]2)c1O ZINC000100943920 557279389 /nfs/dbraw/zinc/27/93/89/557279389.db2.gz DJJVCDNIUCMPJB-UHFFFAOYSA-N 0 0 445.357 2.282 50 0 IEAARN CNC(=O)c1[nH]cnc1N=c1sc(C(=O)N2CCCCC2)c(N)n1-c1ccccc1 ZINC000101387010 557282197 /nfs/dbraw/zinc/28/21/97/557282197.db2.gz XENABUSSUYXLJH-QQTULTPQSA-N 0 0 425.518 2.062 50 0 IEAARN Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000101459345 557285186 /nfs/dbraw/zinc/28/51/86/557285186.db2.gz BLGFGRFAALJZSA-OAQYLSRUSA-N 0 0 431.496 2.057 50 0 IEAARN O=C(NCc1ccc(Cl)cc1)c1ccc(CNc2c(=O)c(=O)c2N2CCOCC2)cc1 ZINC000101589366 557291372 /nfs/dbraw/zinc/29/13/72/557291372.db2.gz WMAGSRNGHOFSKW-UHFFFAOYSA-N 0 0 439.899 2.315 50 0 IEAARN Cc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000011665856 557293754 /nfs/dbraw/zinc/29/37/54/557293754.db2.gz FUMSWYZXPRPISM-UHFFFAOYSA-N 0 0 447.474 2.386 50 0 IEAARN COc1ccc(CNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000101700166 557293837 /nfs/dbraw/zinc/29/38/37/557293837.db2.gz DUQYMNSSIPOKLT-UHFFFAOYSA-N 0 0 425.460 2.378 50 0 IEAARN CC(C)CC(=O)NCCn1ncc2c1ncnc2N1CCN(c2ccc(F)cc2)CC1 ZINC000011665901 557294161 /nfs/dbraw/zinc/29/41/61/557294161.db2.gz QIODTISWLNYJPC-UHFFFAOYSA-N 0 0 425.512 2.454 50 0 IEAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000011666169 557295650 /nfs/dbraw/zinc/29/56/50/557295650.db2.gz VAOSAUAVLPEPQZ-UHFFFAOYSA-N 0 0 441.491 2.274 50 0 IEAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102020866 557312101 /nfs/dbraw/zinc/31/21/01/557312101.db2.gz 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/nfs/dbraw/zinc/79/68/41/568796841.db2.gz HHCLBWMNYHZVKT-MRXNPFEDSA-N 0 0 441.941 2.447 50 0 IEAARN Nc1ncc(Br)cc1S(=O)(=O)NCc1cccnc1OCC(F)(F)F ZINC000084358073 568797170 /nfs/dbraw/zinc/79/71/70/568797170.db2.gz HEMMJLOKDFJHIK-UHFFFAOYSA-N 0 0 441.229 2.241 50 0 IEAARN O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000084392644 568797673 /nfs/dbraw/zinc/79/76/73/568797673.db2.gz BGUXSNABTQBCKY-IBGZPJMESA-N 0 0 431.924 2.075 50 0 IEAARN O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000084535708 568798494 /nfs/dbraw/zinc/79/84/94/568798494.db2.gz BIAITOZDKMYQCD-NHCUHLMSSA-N 0 0 426.538 2.251 50 0 IEAARN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000084536123 568798595 /nfs/dbraw/zinc/79/85/95/568798595.db2.gz DSOXJCIWJOUHCM-CTNGQTDRSA-N 0 0 427.570 2.299 50 0 IEAARN COc1ccc([C@@H](C)NC(=O)CCn2nnc3ccccc3c2=O)cc1Cn1cccn1 ZINC000084647795 568799554 /nfs/dbraw/zinc/79/95/54/568799554.db2.gz CQVRJVVLCOCRIZ-MRXNPFEDSA-N 0 0 432.484 2.312 50 0 IEAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000015669325 568801938 /nfs/dbraw/zinc/80/19/38/568801938.db2.gz FKBFLZPONDHCKG-UHFFFAOYSA-N 0 0 428.489 2.395 50 0 IEAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(C)ccc3O)=C2)c1 ZINC000015673495 568803406 /nfs/dbraw/zinc/80/34/06/568803406.db2.gz PFADYSDCTRZLDZ-UHFFFAOYSA-N 0 0 431.470 2.220 50 0 IEAARN CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000015677799 568805035 /nfs/dbraw/zinc/80/50/35/568805035.db2.gz GRAOSAVGLNGTNP-MRXNPFEDSA-N 0 0 449.504 2.264 50 0 IEAARN Cc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(F)cc2)c1C ZINC000015680264 568806003 /nfs/dbraw/zinc/80/60/03/568806003.db2.gz HWBWPLGEUIHTHK-QFIPXVFZSA-N 0 0 447.532 2.126 50 0 IEAARN C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1c1ccc(Cl)cc1 ZINC000015680237 568806116 /nfs/dbraw/zinc/80/61/16/568806116.db2.gz QPEVAGXODWNXJA-HXUWFJFHSA-N 0 0 435.933 2.023 50 0 IEAARN CN(C)c1ccc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c(C(F)(F)F)c1 ZINC000059576356 568811390 /nfs/dbraw/zinc/81/13/90/568811390.db2.gz YVNNCWMCCZCJDH-UHFFFAOYSA-N 0 0 426.420 2.449 50 0 IEAARN O=C(c1cc(-n2cnnn2)ccc1Br)N1CCN(Cc2ccccc2)CC1 ZINC000032501648 568811651 /nfs/dbraw/zinc/81/16/51/568811651.db2.gz GXLGDRCJYPVTAD-UHFFFAOYSA-N 0 0 427.306 2.383 50 0 IEAARN Cc1cccn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12 ZINC000032510596 568812098 /nfs/dbraw/zinc/81/20/98/568812098.db2.gz ZGYZTKDPISVZDP-UHFFFAOYSA-N 0 0 432.933 2.163 50 0 IEAARN CN(Cc1ccccc1)C(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000015729855 568813684 /nfs/dbraw/zinc/81/36/84/568813684.db2.gz SPOWHKPWGYIWLO-UHFFFAOYSA-N 0 0 427.530 2.265 50 0 IEAARN Cc1ccc(-n2nc(N3CCN(C(=O)CSc4nccc(C)n4)CC3)ccc2=O)cc1 ZINC000015730199 568813887 /nfs/dbraw/zinc/81/38/87/568813887.db2.gz ALUIHCDMCBITEW-UHFFFAOYSA-N 0 0 436.541 2.080 50 0 IEAARN COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(=O)c2ccccc2)cc1 ZINC000001462074 568819885 /nfs/dbraw/zinc/81/98/85/568819885.db2.gz RHIPOHHECUIQTB-OAQYLSRUSA-N 0 0 439.493 2.394 50 0 IEAARN O=C(Cn1nnc2ccccc2c1=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015767590 568821858 /nfs/dbraw/zinc/82/18/58/568821858.db2.gz WDVMPOPQCZFDOC-UHFFFAOYSA-N 0 0 431.418 2.155 50 0 IEAARN COc1cccc(CNC(=O)CN2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)c1 ZINC000015770654 568822310 /nfs/dbraw/zinc/82/23/10/568822310.db2.gz ZGMIODRTKPHGSW-UHFFFAOYSA-N 0 0 437.949 2.418 50 0 IEAARN Cc1ccc2c(c1)N(C(=O)CN1CCCN(Cc3ccc(F)cc3)S1(=O)=O)CCO2 ZINC000015770601 568822363 /nfs/dbraw/zinc/82/23/63/568822363.db2.gz ZRBMTZMRWBEEFY-UHFFFAOYSA-N 0 0 433.505 2.312 50 0 IEAARN CCOC(=O)[C@H](C)NC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn21 ZINC000015776252 568823816 /nfs/dbraw/zinc/82/38/16/568823816.db2.gz HAQVGYJGMMZEMV-ZDUSSCGKSA-N 0 0 430.896 2.390 50 0 IEAARN COc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1OC ZINC000085642226 568828875 /nfs/dbraw/zinc/82/88/75/568828875.db2.gz VYUOSMXDCACUKE-UHFFFAOYSA-N 0 0 445.497 2.366 50 0 IEAARN O=C(CN1C(=O)CCc2cc(Br)ccc21)N1CCN(c2ccccn2)CC1 ZINC000015785356 568829591 /nfs/dbraw/zinc/82/95/91/568829591.db2.gz RRMVBVKLIHJPJG-UHFFFAOYSA-N 0 0 429.318 2.472 50 0 IEAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccco1 ZINC000085645245 568829805 /nfs/dbraw/zinc/82/98/05/568829805.db2.gz DOGHBBZLHOINHQ-UHFFFAOYSA-N 0 0 431.518 2.296 50 0 IEAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccnc1 ZINC000085645132 568829944 /nfs/dbraw/zinc/82/99/44/568829944.db2.gz CQVAHKPZFOSWQW-UHFFFAOYSA-N 0 0 428.518 2.420 50 0 IEAARN CCOC(=O)CCNC(=O)N1CCc2c(sc3nc(-c4ccc(OC)cc4)nn32)C1 ZINC000085651404 568831261 /nfs/dbraw/zinc/83/12/61/568831261.db2.gz LWKWQGLMGGYZDC-UHFFFAOYSA-N 0 0 429.502 2.487 50 0 IEAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)c1 ZINC000085651561 568831434 /nfs/dbraw/zinc/83/14/34/568831434.db2.gz IKPIXGFMVCSBIX-UHFFFAOYSA-N 0 0 447.538 2.495 50 0 IEAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000012821377 568831506 /nfs/dbraw/zinc/83/15/06/568831506.db2.gz OTYWEDDAZPENRP-UHFFFAOYSA-N 0 0 438.488 2.466 50 0 IEAARN O=C([C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)C1)N1CCCC1 ZINC000085651054 568831875 /nfs/dbraw/zinc/83/18/75/568831875.db2.gz JECUOQXDJPLGHQ-QGZVFWFLSA-N 0 0 436.578 2.054 50 0 IEAARN Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000085654185 568832409 /nfs/dbraw/zinc/83/24/09/568832409.db2.gz LTVOTBFSMQOTIM-UHFFFAOYSA-N 0 0 428.489 2.191 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1C ZINC000085654208 568832456 /nfs/dbraw/zinc/83/24/56/568832456.db2.gz DVTVRMVIVVPCLA-UHFFFAOYSA-N 0 0 442.516 2.499 50 0 IEAARN COc1ccc(CC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1OC ZINC000085654698 568834052 /nfs/dbraw/zinc/83/40/52/568834052.db2.gz CNJDVPKCWCETSU-UHFFFAOYSA-N 0 0 448.523 2.449 50 0 IEAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)[C@H]1CCCCN21 ZINC000015786397 568836113 /nfs/dbraw/zinc/83/61/13/568836113.db2.gz KAJFRBNMGYFERC-LJQANCHMSA-N 0 0 448.589 2.091 50 0 IEAARN COc1ccc(CCC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000085878481 568838729 /nfs/dbraw/zinc/83/87/29/568838729.db2.gz FHQWJSBMHJOMHK-UHFFFAOYSA-N 0 0 425.485 2.480 50 0 biogenic IEAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OC ZINC000025666157 568842551 /nfs/dbraw/zinc/84/25/51/568842551.db2.gz VVZDIVZRLUHQKF-QRFRQXIXSA-N 0 0 449.548 2.148 50 0 IEAARN COc1ccc(OS(=O)(=O)c2ccccc2)c([C@@H]2SC(NC(C)=O)=NN2C(C)=O)c1 ZINC000015833014 568842552 /nfs/dbraw/zinc/84/25/52/568842552.db2.gz CZVQOHNJGHJTLX-SFHVURJKSA-N 0 0 449.510 2.464 50 0 IEAARN CC(C)(C)OC(=O)C(=O)[C@@]1(C(=O)OC(C)(C)C)OC(C)(C)O[C@H]1C(=O)OC(C)(C)C ZINC000043199048 568843101 /nfs/dbraw/zinc/84/31/01/568843101.db2.gz RSZBMHUZFCYODP-YEJXKQKISA-N 0 0 430.494 2.471 50 0 IEAARN COC(=O)c1cc(C(=O)OC)c(I)cc1I ZINC000043214946 568843135 /nfs/dbraw/zinc/84/31/35/568843135.db2.gz PSEAVEUBYJATJR-UHFFFAOYSA-N 0 0 445.978 2.469 50 0 IEAARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006134701 568845093 /nfs/dbraw/zinc/84/50/93/568845093.db2.gz CFORNIVLBZDHFD-UHFFFAOYSA-N 0 0 442.497 2.003 50 0 IEAARN COc1ccc(OCCNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 ZINC000015858245 568846448 /nfs/dbraw/zinc/84/64/48/568846448.db2.gz XGTJKRQYNOGWPN-UHFFFAOYSA-N 0 0 438.889 2.224 50 0 IEAARN O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000015864410 568849871 /nfs/dbraw/zinc/84/98/71/568849871.db2.gz BVHGOOSQQQGKDS-UHFFFAOYSA-N 0 0 428.448 2.301 50 0 IEAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(C(F)(F)F)cc1)c(=O)n2C ZINC000015880399 568853952 /nfs/dbraw/zinc/85/39/52/568853952.db2.gz ZLCVJMOZEAOYHH-UHFFFAOYSA-N 0 0 436.390 2.460 50 0 IEAARN CCOc1ccc(NC(=O)CSc2c(CC)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000015883405 568857601 /nfs/dbraw/zinc/85/76/01/568857601.db2.gz MMWNHMIKTMUJEU-UHFFFAOYSA-N 0 0 428.514 2.324 50 0 IEAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccccc1 ZINC000015883592 568857747 /nfs/dbraw/zinc/85/77/47/568857747.db2.gz DRSHLVUSIBLSIJ-UHFFFAOYSA-N 0 0 426.542 2.383 50 0 IEAARN O=C(COc1ccccc1F)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000015884085 568857965 /nfs/dbraw/zinc/85/79/65/568857965.db2.gz YNSHYSNQHJKBOD-UHFFFAOYSA-N 0 0 447.474 2.136 50 0 IEAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000015884113 568858048 /nfs/dbraw/zinc/85/80/48/568858048.db2.gz WEVDDCHIWQQCSK-UHFFFAOYSA-N 0 0 449.540 2.338 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 ZINC000015884205 568858055 /nfs/dbraw/zinc/85/80/55/568858055.db2.gz XKWHWHAFHXQAEL-UHFFFAOYSA-N 0 0 449.540 2.089 50 0 IEAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000015883981 568858307 /nfs/dbraw/zinc/85/83/07/568858307.db2.gz LORZEEHWLDGGKF-UHFFFAOYSA-N 0 0 443.467 2.210 50 0 IEAARN COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000015967665 568861290 /nfs/dbraw/zinc/86/12/90/568861290.db2.gz SVLBGGTVMQBQQR-LEWJYISDSA-N 0 0 427.570 2.264 50 0 IEAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989847 568861864 /nfs/dbraw/zinc/86/18/64/568861864.db2.gz VVTAFZDVSGBJBE-MLHJIOFPSA-N 0 0 438.281 2.450 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@@](=O)C3)cc1 ZINC000006184135 568870798 /nfs/dbraw/zinc/87/07/98/568870798.db2.gz DGDFNPCWGGFQHE-GDLZYMKVSA-N 0 0 444.538 2.137 50 0 IEAARN CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccc(C(N)=O)cc2)ccc1Br ZINC000016114505 568870946 /nfs/dbraw/zinc/87/09/46/568870946.db2.gz UQWBZYDWKVBHHM-UHFFFAOYSA-N 0 0 441.303 2.155 50 0 IEAARN C[C@@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2NC1=O ZINC000012946563 568871145 /nfs/dbraw/zinc/87/11/45/568871145.db2.gz RXJNDINCAPPJQB-ZDUSSCGKSA-N 0 0 449.529 2.405 50 0 IEAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c1 ZINC000012950421 568872101 /nfs/dbraw/zinc/87/21/01/568872101.db2.gz GGHPGXKWERUIHB-UHFFFAOYSA-N 0 0 437.562 2.075 50 0 IEAARN O=C(NCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)Nc1ccccc1 ZINC000012952280 568872238 /nfs/dbraw/zinc/87/22/38/568872238.db2.gz UHKBHYQZNRVNQO-KRWDZBQOSA-N 0 0 435.484 2.252 50 0 IEAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)C1(c2cccs2)CCCC1 ZINC000575604862 568878038 /nfs/dbraw/zinc/87/80/38/568878038.db2.gz CJLMRSCTHLZIMH-UHFFFAOYSA-N 0 0 442.589 2.498 50 0 IEAARN CN1c2ccccc2N(C2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)S1(=O)=O ZINC000575615178 568881240 /nfs/dbraw/zinc/88/12/40/568881240.db2.gz MVOIPPXXNXJVEL-UHFFFAOYSA-N 0 0 444.513 2.291 50 0 IEAARN O=c1c2ccccc2ncn1[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000575616295 568881696 /nfs/dbraw/zinc/88/16/96/568881696.db2.gz IPTXUSFWMPXDQT-CYBMUJFWSA-N 0 0 427.511 2.427 50 0 IEAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2F)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000006300147 568882570 /nfs/dbraw/zinc/88/25/70/568882570.db2.gz FNNLUBMIBKPJNC-MRXNPFEDSA-N 0 0 425.464 2.133 50 0 IEAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000009794326 568884283 /nfs/dbraw/zinc/88/42/83/568884283.db2.gz XTKGNSQKOPKBNB-QFQMRYFISA-N 0 0 430.526 2.348 50 0 IEAARN COc1cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc(OC)c1OCC(N)=O ZINC000016403584 568888000 /nfs/dbraw/zinc/88/80/00/568888000.db2.gz ICSSYNZANIFGHD-UHFFFAOYSA-N 0 0 427.409 2.340 50 0 IEAARN O=C(CNC(=O)c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000012974209 568889722 /nfs/dbraw/zinc/88/97/22/568889722.db2.gz QMXIKLUYXZYPHF-ATVHPVEESA-N 0 0 427.457 2.408 50 0 IEAARN Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cs2)n1 ZINC000090609328 568891128 /nfs/dbraw/zinc/89/11/28/568891128.db2.gz QEGKEEZYDFTZST-UHFFFAOYSA-N 0 0 433.559 2.168 50 0 IEAARN COc1cccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)c1 ZINC000090610060 568891569 /nfs/dbraw/zinc/89/15/69/568891569.db2.gz KOPCAATUOHSSSL-UHFFFAOYSA-N 0 0 444.538 2.309 50 0 IEAARN CCOC(=O)N1CCC(NC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)CC1 ZINC000090610162 568891976 /nfs/dbraw/zinc/89/19/76/568891976.db2.gz LWYMWQCBYXHXQT-UHFFFAOYSA-N 0 0 431.468 2.172 50 0 IEAARN CC(CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000013008675 568899658 /nfs/dbraw/zinc/89/96/58/568899658.db2.gz QDCCPWDMYPTEDI-RXVVDRJESA-N 0 0 440.565 2.144 50 0 IEAARN CC(CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000013008677 568899719 /nfs/dbraw/zinc/89/97/19/568899719.db2.gz QDCCPWDMYPTEDI-NQIIRXRSSA-N 0 0 440.565 2.144 50 0 IEAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnc2cc(C)nn2c1C ZINC000025387421 568904615 /nfs/dbraw/zinc/90/46/15/568904615.db2.gz GXLILBYXMCXJNW-UHFFFAOYSA-N 0 0 436.472 2.262 50 0 IEAARN CCCN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)C1=O ZINC000001775671 568906583 /nfs/dbraw/zinc/90/65/83/568906583.db2.gz WYPQTROCTZQZGF-HNENSFHCSA-N 0 0 446.488 2.418 50 0 IEAARN COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC ZINC000001778980 568906741 /nfs/dbraw/zinc/90/67/41/568906741.db2.gz MVPLNISHSHSQNN-UHFFFAOYSA-N 0 0 430.457 2.241 50 0 IEAARN Cc1cc(Br)ccc1NC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O ZINC000239352343 568911412 /nfs/dbraw/zinc/91/14/12/568911412.db2.gz ABVDGHBWOQVZNM-LZWOXQAQSA-N 0 0 444.351 2.103 50 0 IEAARN CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc21 ZINC000239433324 568911470 /nfs/dbraw/zinc/91/14/70/568911470.db2.gz XMXJHFIEUSEIDA-SZNDQCEHSA-N 0 0 433.530 2.082 50 0 IEAARN CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000241439966 568912157 /nfs/dbraw/zinc/91/21/57/568912157.db2.gz NNWALNKDNLRJEI-ZWKOTPCHSA-N 0 0 430.549 2.245 50 0 IEAARN CCOC(=O)N1CCN(C(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1 ZINC000245254865 568913609 /nfs/dbraw/zinc/91/36/09/568913609.db2.gz CVTYLLNUTJFIHE-QAQDUYKDSA-N 0 0 442.516 2.209 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCc3ccccn3)CC2)cc1 ZINC000245255834 568913776 /nfs/dbraw/zinc/91/37/76/568913776.db2.gz LQIKHUCZVANGGT-IYARVYRRSA-N 0 0 444.557 2.441 50 0 IEAARN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCC1 ZINC000245256798 568914060 /nfs/dbraw/zinc/91/40/60/568914060.db2.gz SZMCPYGHOFOROA-WKILWMFISA-N 0 0 439.553 2.085 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCc3cccnc3)CC2)cc1 ZINC000245257075 568914150 /nfs/dbraw/zinc/91/41/50/568914150.db2.gz WLCMNJMAOLIDGF-UAPYVXQJSA-N 0 0 444.557 2.441 50 0 IEAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCCCC3)CC2)cc1 ZINC000245312567 568914834 /nfs/dbraw/zinc/91/48/34/568914834.db2.gz VYLATNBRXZWLTB-WGSAOQKQSA-N 0 0 435.590 2.208 50 0 IEAARN CNC(=O)CCCN(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000089386063 568921313 /nfs/dbraw/zinc/92/13/13/568921313.db2.gz JPBCBULYRGUHCZ-UHFFFAOYSA-N 0 0 443.875 2.012 50 0 IEAARN Cc1nn(-c2ccccc2)c(N)c1N=Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000252429297 568922932 /nfs/dbraw/zinc/92/29/32/568922932.db2.gz XMQQIXLHJYDQPI-UHFFFAOYSA-N 0 0 426.502 2.349 50 0 IEAARN COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1OC ZINC000000726877 568924634 /nfs/dbraw/zinc/92/46/34/568924634.db2.gz CENGIFUPSRNXKY-QZTJIDSGSA-N 0 0 431.448 2.180 50 0 biogenic IEAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1O ZINC000089459628 568925746 /nfs/dbraw/zinc/92/57/46/568925746.db2.gz QBSGCFMNNDWAND-UHFFFAOYSA-N 0 0 448.497 2.371 50 0 IEAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc32)no1 ZINC000064450634 568928647 /nfs/dbraw/zinc/92/86/47/568928647.db2.gz GHNNCLZDVQKTSQ-UHFFFAOYSA-N 0 0 442.497 2.378 50 0 IEAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCn2c(nn(C)c2=O)C1 ZINC000089520870 568929904 /nfs/dbraw/zinc/92/99/04/568929904.db2.gz JJYXIAUFEZEOPL-UHFFFAOYSA-N 0 0 435.315 2.276 50 0 IEAARN CCN(CC)c1cc2c(cc1NC(=O)c1c(OC)cccc1OC)n(C)c(=O)c(=O)n2C ZINC000064526241 568931334 /nfs/dbraw/zinc/93/13/34/568931334.db2.gz IEGSSBSGFQCMJW-UHFFFAOYSA-N 0 0 440.500 2.353 50 0 IEAARN CCOC(=O)C1CCN(C(=O)[C@H](C)N2c3ccccc3C(=O)N3CCCC[C@@H]3C2=O)CC1 ZINC000064526812 568931414 /nfs/dbraw/zinc/93/14/14/568931414.db2.gz CPLDFRAVKTUPHO-OXJNMPFZSA-N 0 0 441.528 2.218 50 0 IEAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1)C2 ZINC000064565486 568932449 /nfs/dbraw/zinc/93/24/49/568932449.db2.gz MOABECQIWSNZOX-UHFFFAOYSA-N 0 0 437.544 2.028 50 0 IEAARN Cc1cccc(C(=O)N2CCc3c(c(C(=O)N4CCC[C@H](C(=O)NC5CC5)C4)nn3C)C2)c1 ZINC000064565709 568932615 /nfs/dbraw/zinc/93/26/15/568932615.db2.gz DQBHPGZKLHHCJX-SFHVURJKSA-N 0 0 449.555 2.058 50 0 IEAARN Cn1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2c1CCN(C(=O)C1CC1)C2 ZINC000064565730 568932677 /nfs/dbraw/zinc/93/26/77/568932677.db2.gz DIMSVZUONWNNBM-QGZVFWFLSA-N 0 0 435.528 2.206 50 0 IEAARN Cc1ccc(C(=O)N2CCc3c(c(C(=O)N4CCC[C@@H](C(=O)NC5CC5)C4)nn3C)C2)cc1 ZINC000064565712 568932708 /nfs/dbraw/zinc/93/27/08/568932708.db2.gz KFOKTGZSEXTVJZ-GOSISDBHSA-N 0 0 449.555 2.058 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(-c3nnc(-c4ccccc4)o3)nn2C)C1 ZINC000064566724 568933485 /nfs/dbraw/zinc/93/34/85/568933485.db2.gz PNURWEWAXQVJHO-UHFFFAOYSA-N 0 0 440.485 2.489 50 0 IEAARN Cc1cc2nc3sc(C)nn3c(=O)c2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000064567246 568933611 /nfs/dbraw/zinc/93/36/11/568933611.db2.gz BUHTXUJKNCOPLZ-UHFFFAOYSA-N 0 0 440.504 2.210 50 0 IEAARN COc1cccc(-n2ccn3c(SCC(=O)NCc4ccc(F)cc4)nnc3c2=O)c1 ZINC000064579470 568934265 /nfs/dbraw/zinc/93/42/65/568934265.db2.gz HCYJSRKLAOKODP-UHFFFAOYSA-N 0 0 439.472 2.436 50 0 IEAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)Nc1ccc2c(c1)OCO2 ZINC000064593370 568935853 /nfs/dbraw/zinc/93/58/53/568935853.db2.gz DGGAAWDYOZAJKK-UHFFFAOYSA-N 0 0 439.428 2.479 50 0 IEAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)c(C)cc2NC1=O ZINC000064594051 568936245 /nfs/dbraw/zinc/93/62/45/568936245.db2.gz QLUIOAKUQVNIKZ-SFHVURJKSA-N 0 0 443.525 2.314 50 0 IEAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035991605 568941752 /nfs/dbraw/zinc/94/17/52/568941752.db2.gz ARVPEBVQTSWMIL-PXNSSMCTSA-N 0 0 429.517 2.475 50 0 IEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035992831 568941820 /nfs/dbraw/zinc/94/18/20/568941820.db2.gz LIAQSPIOPZHWEO-UTKZUKDTSA-N 0 0 442.560 2.389 50 0 IEAARN Cc1ccc(Sc2ccc3nn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)n3n2)cc1 ZINC000064710211 568944700 /nfs/dbraw/zinc/94/47/00/568944700.db2.gz IQRKPCADRFQUQN-UHFFFAOYSA-N 0 0 449.492 2.396 50 0 IEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(C)=O)CC3)nn2)cc1 ZINC000036064201 568944926 /nfs/dbraw/zinc/94/49/26/568944926.db2.gz CXVOZKAPSNPUFU-UHFFFAOYSA-N 0 0 449.511 2.443 50 0 IEAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)COC ZINC000036069567 568945530 /nfs/dbraw/zinc/94/55/30/568945530.db2.gz JLLDMGMAOZCFOX-LJQANCHMSA-N 0 0 439.560 2.374 50 0 IEAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)COC ZINC000036074445 568946247 /nfs/dbraw/zinc/94/62/47/568946247.db2.gz JRMKMDSCBVNWAO-UHFFFAOYSA-N 0 0 445.951 2.331 50 0 IEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(C)=O)CC3)nn2)c1 ZINC000036073869 568946410 /nfs/dbraw/zinc/94/64/10/568946410.db2.gz PNWJBFFZRXPSHH-UHFFFAOYSA-N 0 0 425.533 2.305 50 0 IEAARN O=C(NC1CC1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036085195 568947810 /nfs/dbraw/zinc/94/78/10/568947810.db2.gz BPLNHWPQQWIKQK-UHFFFAOYSA-N 0 0 448.376 2.493 50 0 IEAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3cccnc3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085273 568947927 /nfs/dbraw/zinc/94/79/27/568947927.db2.gz XVNGWWHFDTWSRY-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN C[C@H](c1ccccc1)n1c(=O)c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccccc2F)c1=O ZINC000036085396 568948011 /nfs/dbraw/zinc/94/80/11/568948011.db2.gz VZYAJVRJIHDZJI-WBVHZDCISA-N 0 0 438.459 2.051 50 0 IEAARN COCCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036085762 568948186 /nfs/dbraw/zinc/94/81/86/568948186.db2.gz DCBQHHXWIMQTAN-UHFFFAOYSA-N 0 0 442.903 2.171 50 0 IEAARN C[C@@H](c1ccccc1)n1c(=O)c(C(=O)NCc2ccccn2)nn(-c2ccccc2)c1=O ZINC000036086137 568948414 /nfs/dbraw/zinc/94/84/14/568948414.db2.gz MFEUBKZTSTUTKB-KRWDZBQOSA-N 0 0 427.464 2.329 50 0 IEAARN O=C(NCc1cccnc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086193 568948522 /nfs/dbraw/zinc/94/85/22/568948522.db2.gz MAZBOTGPVHLRNO-UHFFFAOYSA-N 0 0 447.882 2.421 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086489 568948628 /nfs/dbraw/zinc/94/86/28/568948628.db2.gz HLAVQGSXMCDPDH-UHFFFAOYSA-N 0 0 441.491 2.118 50 0 IEAARN Cc1cccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086854 568949182 /nfs/dbraw/zinc/94/91/82/568949182.db2.gz STRNDSULXMZLLU-UHFFFAOYSA-N 0 0 434.427 2.413 50 0 IEAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3cccnc3)nn(-c3cccc(F)c3)c2=O)cc1 ZINC000036088429 568950425 /nfs/dbraw/zinc/95/04/25/568950425.db2.gz YKSZZGNRCKEWCL-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000036094028 568950787 /nfs/dbraw/zinc/95/07/87/568950787.db2.gz MQUUKBUOGDHLIX-OAQYLSRUSA-N 0 0 448.523 2.277 50 0 IEAARN COCCCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036094022 568950875 /nfs/dbraw/zinc/95/08/75/568950875.db2.gz SJJBHDXBLRIUBO-UHFFFAOYSA-N 0 0 436.512 2.134 50 0 IEAARN CCc1nnc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4Cl)CC3)c2)o1 ZINC000064759800 568952139 /nfs/dbraw/zinc/95/21/39/568952139.db2.gz KLFAZMVAWDJZOU-UHFFFAOYSA-N 0 0 427.892 2.463 50 0 IEAARN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775979 568954853 /nfs/dbraw/zinc/95/48/53/568954853.db2.gz JSWIQBWOIOPSCE-OAHLLOKOSA-N 0 0 433.468 2.027 50 0 IEAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccnc2)C1 ZINC000036146103 568962008 /nfs/dbraw/zinc/96/20/08/568962008.db2.gz RSBRVTSMHKMRKJ-SFHVURJKSA-N 0 0 432.546 2.190 50 0 IEAARN CCNC(=O)N1CCC([C@@H](NC(=O)c2ccc(F)cc2)C(=O)NCc2ccco2)CC1 ZINC000036148166 568962842 /nfs/dbraw/zinc/96/28/42/568962842.db2.gz NRFVOJCFWKVJHV-LJQANCHMSA-N 0 0 430.480 2.275 50 0 IEAARN O=C(Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O)NCc1ccc(F)cc1 ZINC000064818158 568964489 /nfs/dbraw/zinc/96/44/89/568964489.db2.gz SZIICKGRKSRDMY-UHFFFAOYSA-N 0 0 439.466 2.165 50 0 IEAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cn1C ZINC000064818972 568965613 /nfs/dbraw/zinc/96/56/13/568965613.db2.gz 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COc1ccc(C(=O)N[C@@H](C(=O)NC(C)C)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000036210268 568974709 /nfs/dbraw/zinc/97/47/09/568974709.db2.gz AFTSTSOEYCJVRN-HXUWFJFHSA-N 0 0 427.501 2.464 50 0 IEAARN COCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036211856 568975672 /nfs/dbraw/zinc/97/56/72/568975672.db2.gz PPHKYPOMGFRATQ-QFIPXVFZSA-N 0 0 437.540 2.408 50 0 IEAARN COCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036211847 568975699 /nfs/dbraw/zinc/97/56/99/568975699.db2.gz DBJIGEMZAYCKEF-FQEVSTJZSA-N 0 0 427.501 2.001 50 0 IEAARN COCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000036212467 568976350 /nfs/dbraw/zinc/97/63/50/568976350.db2.gz VNBWOCFZUQGRNB-QHCPKHFHSA-N 0 0 437.540 2.029 50 0 IEAARN COCCNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036212481 568976391 /nfs/dbraw/zinc/97/63/91/568976391.db2.gz LPVAVFFKKLTNMT-JOCHJYFZSA-N 0 0 437.540 2.408 50 0 IEAARN CCc1nnc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3n12 ZINC000064871606 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521853048 /nfs/dbraw/zinc/85/30/48/521853048.db2.gz UMATZRYYIFJGCN-QHCPKHFHSA-N 0 0 443.569 2.241 50 0 IEAARN CCc1ccccc1N1C(=O)CN(S(=O)(=O)CC)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021528686 521853646 /nfs/dbraw/zinc/85/36/46/521853646.db2.gz ZSONTYCBICRHCP-HSZRJFAPSA-N 0 0 443.569 2.322 50 0 IEAARN CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403291 521868659 /nfs/dbraw/zinc/86/86/59/521868659.db2.gz MYEAMJBGJNMIFD-FQEVSTJZSA-N 0 0 440.475 2.372 50 0 IEAARN CCc1ccccc1NC(=O)Cn1c2cn(C)nc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000021713859 521882612 /nfs/dbraw/zinc/88/26/12/521882612.db2.gz JFIYHCAATMZELW-UHFFFAOYSA-N 0 0 435.459 2.285 50 0 IEAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000012292797 521898987 /nfs/dbraw/zinc/89/89/87/521898987.db2.gz CTZLVQFIUYRJSG-UHFFFAOYSA-N 0 0 429.458 2.197 50 0 IEAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2Cl)cn1C ZINC000021882051 521906943 /nfs/dbraw/zinc/90/69/43/521906943.db2.gz PWMOQRDYWCRQCZ-HNNXBMFYSA-N 0 0 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COC(=O)c1cn(-c2ccccc2NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)nn1 ZINC000023185187 522309623 /nfs/dbraw/zinc/30/96/23/522309623.db2.gz UQUXKXNFRJEVNY-LJQANCHMSA-N 0 0 435.440 2.424 50 0 IEAARN COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1F)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021872883 522394136 /nfs/dbraw/zinc/39/41/36/522394136.db2.gz RDDOKYRZAZRTDU-JOCHJYFZSA-N 0 0 428.464 2.282 50 0 IEAARN COc1cc(NC(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc(OC)c1 ZINC000023135214 522685671 /nfs/dbraw/zinc/68/56/71/522685671.db2.gz VGYZGPGKWZYENE-UHFFFAOYSA-N 0 0 441.467 2.168 50 0 IEAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000012871083 522825029 /nfs/dbraw/zinc/82/50/29/522825029.db2.gz GZXXJQJYNGENQH-ZDUSSCGKSA-N 0 0 434.514 2.353 50 0 IEAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)cc1OC ZINC000033088080 522831932 /nfs/dbraw/zinc/83/19/32/522831932.db2.gz PNSGFVYFFIGHTA-LBPRGKRZSA-N 0 0 435.444 2.118 50 0 IEAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1Br ZINC000012856691 522867683 /nfs/dbraw/zinc/86/76/83/522867683.db2.gz PVEWHSIQQXFUMS-NHYWBVRUSA-N 0 0 443.319 2.150 50 0 IEAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000012900012 522868580 /nfs/dbraw/zinc/86/85/80/522868580.db2.gz LVUYLLXIZHSONM-DZGCQCFKSA-N 0 0 443.319 2.150 50 0 IEAARN CN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020444033 522888018 /nfs/dbraw/zinc/88/80/18/522888018.db2.gz CXJBGZOWJCFVTQ-UHFFFAOYSA-N 0 0 429.546 2.356 50 0 IEAARN COC(=O)C1CC[NH+]([C@H](c2sc3ncnn3c2[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000022609359 522921277 /nfs/dbraw/zinc/92/12/77/522921277.db2.gz NOLKBNIQQMRWGS-INIZCTEOSA-N 0 0 432.502 2.488 50 0 IEAARN COc1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(OC)c1OC ZINC000012507749 522962105 /nfs/dbraw/zinc/96/21/05/522962105.db2.gz IPKYDCIGLZAXTC-IBGZPJMESA-N 0 0 425.445 2.320 50 0 IEAARN COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3cc(OC)c(OC)cc3c1=O)CC2 ZINC000020761137 523028964 /nfs/dbraw/zinc/02/89/64/523028964.db2.gz PFHXTXCQAGAJNE-UHFFFAOYSA-N 0 0 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ZINC000021874732 524555492 /nfs/dbraw/zinc/55/54/92/524555492.db2.gz ALVYBXOOYJCMFU-DEOSSOPVSA-N 0 0 437.544 2.415 50 0 IEAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NC3CCC(C)CC3)n2)CC1 ZINC000035375424 524563378 /nfs/dbraw/zinc/56/33/78/524563378.db2.gz ZQXQUYQYVUQFKV-UHFFFAOYSA-N 0 0 439.560 2.273 50 0 IEAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000020326652 524594543 /nfs/dbraw/zinc/59/45/43/524594543.db2.gz KJEBNHSZKIPNOQ-CQSZACIVSA-N 0 0 445.497 2.180 50 0 IEAARN Cc1cccc(NC(=O)CN2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)c1C ZINC000022785808 524595068 /nfs/dbraw/zinc/59/50/68/524595068.db2.gz ZDMDBQIYBJQKIR-UHFFFAOYSA-N 0 0 427.549 2.072 50 0 IEAARN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000012752474 524596136 /nfs/dbraw/zinc/59/61/36/524596136.db2.gz NZJMAJNIZVBCJZ-INIZCTEOSA-N 0 0 448.497 2.267 50 0 IEAARN COc1ccc(NC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc32)cc1S(N)(=O)=O ZINC000012746207 524604870 /nfs/dbraw/zinc/60/48/70/524604870.db2.gz TWOWWZSLPQSANQ-AWEZNQCLSA-N 0 0 441.509 2.182 50 0 IEAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 ZINC000012389008 524612531 /nfs/dbraw/zinc/61/25/31/524612531.db2.gz QAABLNFGVUYOKW-SFHVURJKSA-N 0 0 445.479 2.406 50 0 IEAARN COc1ccccc1NC(=S)N(CCCN1CCOCC1)C1CCN(C(C)=O)CC1 ZINC000020730944 524631746 /nfs/dbraw/zinc/63/17/46/524631746.db2.gz XCVYHGCQPJEXHZ-UHFFFAOYSA-N 0 0 434.606 2.427 50 0 IEAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3nnc4ccccn43)c2)cc1 ZINC000012548661 524694858 /nfs/dbraw/zinc/69/48/58/524694858.db2.gz CAEWWGMDODXPDS-UHFFFAOYSA-N 0 0 437.481 2.469 50 0 IEAARN Cc1cccc(OCC(=O)N2CCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)c1 ZINC000035536813 524714844 /nfs/dbraw/zinc/71/48/44/524714844.db2.gz GRJWYONCSRCPEP-UHFFFAOYSA-N 0 0 428.533 2.208 50 0 IEAARN Cc1cccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc4c(c3)OCO4)no2)c1C ZINC000020417964 524718070 /nfs/dbraw/zinc/71/80/70/524718070.db2.gz AUCQTMQAJIZUFL-UHFFFAOYSA-N 0 0 438.440 2.007 50 0 IEAARN C[C@@H]1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)C[C@H](C)O1 ZINC000012233302 524793889 /nfs/dbraw/zinc/79/38/89/524793889.db2.gz HAPLPJWOJVSQND-ZENOOKHLSA-N 0 0 443.504 2.394 50 0 IEAARN C[C@@H]1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)C[C@@H](C)O1 ZINC000012233300 524794302 /nfs/dbraw/zinc/79/43/02/524794302.db2.gz HAPLPJWOJVSQND-IOASZLSFSA-N 0 0 443.504 2.394 50 0 IEAARN Cc1cc(Cc2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2)c(=O)[nH]n1 ZINC000033026642 524841237 /nfs/dbraw/zinc/84/12/37/524841237.db2.gz KNJPUJBRQDGCNS-UHFFFAOYSA-N 0 0 442.516 2.319 50 0 IEAARN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)C1 ZINC000012804376 524879188 /nfs/dbraw/zinc/87/91/88/524879188.db2.gz CESKZSUMOJEAPF-OALUTQOASA-N 0 0 426.561 2.076 50 0 IEAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C[C@@H](C)O1 ZINC000021063310 524890838 /nfs/dbraw/zinc/89/08/38/524890838.db2.gz WWIMFZOAJZVSQU-ZIAGYGMSSA-N 0 0 443.997 2.398 50 0 IEAARN COc1ccc(OCCN2CCN([C@@H](C(=O)N3CCOCC3)c3ccccc3)CC2)cc1 ZINC000022787511 524955629 /nfs/dbraw/zinc/95/56/29/524955629.db2.gz WHNJTDQPNCCRBQ-XMMPIXPASA-N 0 0 439.556 2.292 50 0 IEAARN COc1ccc(OC[C@H](O)CN(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012390016 524970884 /nfs/dbraw/zinc/97/08/84/524970884.db2.gz WVPPMIXRLIUFKT-RTBURBONSA-N 0 0 435.542 2.133 50 0 IEAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)[nH]c(=O)c(=O)n5C)no3)CC2=O)cc1C ZINC000035481941 524981830 /nfs/dbraw/zinc/98/18/30/524981830.db2.gz AYVYVTSYLHUJHT-HNNXBMFYSA-N 0 0 431.452 2.414 50 0 IEAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)NC3CCCC3)ccc2N1C(=O)C1CCC1 ZINC000020930604 524982613 /nfs/dbraw/zinc/98/26/13/524982613.db2.gz SIVNNUSVWSZKCG-HNNXBMFYSA-N 0 0 433.574 2.444 50 0 IEAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000012755189 524999555 /nfs/dbraw/zinc/99/95/55/524999555.db2.gz HGZHGZYVVPYTLT-UHFFFAOYSA-N 0 0 431.514 2.254 50 0 IEAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(NC2CC2)s1 ZINC000022174693 525000272 /nfs/dbraw/zinc/00/02/72/525000272.db2.gz HDIAPDPZWKGDBR-UHFFFAOYSA-N 0 0 443.576 2.102 50 0 IEAARN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012765841 525029819 /nfs/dbraw/zinc/02/98/19/525029819.db2.gz CTSASEUGDHUUOR-INIZCTEOSA-N 0 0 431.514 2.235 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000012746211 525037041 /nfs/dbraw/zinc/03/70/41/525037041.db2.gz GKKMALSEDUSTJD-OAQYLSRUSA-N 0 0 447.532 2.161 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000012690255 525039215 /nfs/dbraw/zinc/03/92/15/525039215.db2.gz CZFYZQCOXIKFJN-MRXNPFEDSA-N 0 0 445.541 2.231 50 0 IEAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCCCCC3)c2)C[C@H](C)O1 ZINC000012573736 525054524 /nfs/dbraw/zinc/05/45/24/525054524.db2.gz RFBSFUPKBGUYCL-CALCHBBNSA-N 0 0 438.546 2.044 50 0 IEAARN COc1ccc(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC ZINC000022405896 525055847 /nfs/dbraw/zinc/05/58/47/525055847.db2.gz 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Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000012092886 525143853 /nfs/dbraw/zinc/14/38/53/525143853.db2.gz UOUMUEIOQHMNPU-QHCPKHFHSA-N 0 0 431.540 2.247 50 0 IEAARN CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccc(Cl)cc1 ZINC000020481400 525149000 /nfs/dbraw/zinc/14/90/00/525149000.db2.gz YWDBELLIHRYTCM-UHFFFAOYSA-N 0 0 435.977 2.446 50 0 IEAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000021897766 525162434 /nfs/dbraw/zinc/16/24/34/525162434.db2.gz JDPBQECJSYZEES-UHFFFAOYSA-N 0 0 441.351 2.304 50 0 IEAARN C[C@]1(C(=O)NC2CCCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1ccc(F)cc1 ZINC000020928069 525202139 /nfs/dbraw/zinc/20/21/39/525202139.db2.gz WZMXMAPFWMSRSB-OAQYLSRUSA-N 0 0 439.553 2.422 50 0 IEAARN Cc1cc(NC(=O)c2nccnc2N)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012792873 525260823 /nfs/dbraw/zinc/26/08/23/525260823.db2.gz PCKRQXBMNCSYOH-UHFFFAOYSA-N 0 0 425.470 2.275 50 0 IEAARN COc1ccc([C@@H]2OC(=O)N(CCN3CCOCC3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000012420524 525268915 /nfs/dbraw/zinc/26/89/15/525268915.db2.gz IDMMCXPEDHIIMH-JTHBVZDNSA-N 0 0 428.485 2.375 50 0 IEAARN Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CCN(CCO)CC2)c(=O)n1Cc1ccco1 ZINC000022698220 525324788 /nfs/dbraw/zinc/32/47/88/525324788.db2.gz ZSPUSGDSGVCZOY-HSZRJFAPSA-N 0 0 441.503 2.342 50 0 IEAARN CC(=O)c1ccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 ZINC000008608277 534848080 /nfs/dbraw/zinc/84/80/80/534848080.db2.gz BMXOLGVJUKDIJX-UHFFFAOYSA-N 0 0 448.523 2.412 50 0 IEAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)C1=O ZINC000012633691 525331819 /nfs/dbraw/zinc/33/18/19/525331819.db2.gz QHEQMLOOAVHFMG-HSZRJFAPSA-N 0 0 434.452 2.142 50 0 IEAARN COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)N2CCOCC2)cc1 ZINC000032969174 525354251 /nfs/dbraw/zinc/35/42/51/525354251.db2.gz NXQYYNBHTHVPBZ-NRFANRHFSA-N 0 0 441.528 2.013 50 0 IEAARN COc1ccc([C@H]2OC(=O)N(CCN3CCOCC3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000012420523 525432856 /nfs/dbraw/zinc/43/28/56/525432856.db2.gz IDMMCXPEDHIIMH-FYYLOGMGSA-N 0 0 428.485 2.375 50 0 IEAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC[C@@H]4CCCO4)nc23)cc1 ZINC000035424843 525479657 /nfs/dbraw/zinc/47/96/57/525479657.db2.gz LEQVVUKAKQLINN-KRWDZBQOSA-N 0 0 433.468 2.440 50 0 IEAARN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000022018699 525511767 /nfs/dbraw/zinc/51/17/67/525511767.db2.gz ULZABIJSXLGPJI-VIFPVBQESA-N 0 0 428.392 2.181 50 0 IEAARN COc1ccc2c(c1)CCCN2C(=O)CN1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000022848505 525512380 /nfs/dbraw/zinc/51/23/80/525512380.db2.gz XZVLLVYAPFWHLH-PMACEKPBSA-N 0 0 442.604 2.097 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nn3c(C)nc4sccc4c3=O)CC2)cc1 ZINC000021904083 525521133 /nfs/dbraw/zinc/52/11/33/525521133.db2.gz GUNJNSQTLSMFTE-UHFFFAOYSA-N 0 0 446.554 2.246 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 ZINC000012813973 525529478 /nfs/dbraw/zinc/52/94/78/525529478.db2.gz QGKHHVBYJWXVSR-UHFFFAOYSA-N 0 0 433.549 2.489 50 0 IEAARN 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569122145 /nfs/dbraw/zinc/12/21/45/569122145.db2.gz QGJPSFKLSSHXPJ-UHFFFAOYSA-N 0 0 433.447 2.483 50 0 IEAARN CC(=O)N1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1 ZINC000065251345 569122250 /nfs/dbraw/zinc/12/22/50/569122250.db2.gz UPWIDCIKFHRIKI-UHFFFAOYSA-N 0 0 437.504 2.228 50 0 IEAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000013157001 569125809 /nfs/dbraw/zinc/12/58/09/569125809.db2.gz IIIRKFWQJFZJIM-IBGZPJMESA-N 0 0 438.480 2.008 50 0 IEAARN COc1cc([C@@H](CC(=O)N[C@@H]2CN3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730750 569126058 /nfs/dbraw/zinc/12/60/58/569126058.db2.gz VZAONEAAWRGSAA-IAGOWNOFSA-N 0 0 428.485 2.100 50 0 biogenic IEAARN COc1cc([C@@H](CC(=O)NCCn2nccc2C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731132 569126299 /nfs/dbraw/zinc/12/62/99/569126299.db2.gz LCXLKIFNYAHXBI-MRXNPFEDSA-N 0 0 427.457 2.211 50 0 biogenic IEAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCNC(=O)c1cc2ccccc2[nH]1 ZINC000524731458 569126448 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C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NCc4ccccn4)c3)nc2)C1 ZINC000065312143 569133662 /nfs/dbraw/zinc/13/36/62/569133662.db2.gz PQTQBTMLBXSEAT-INIZCTEOSA-N 0 0 440.529 2.013 50 0 IEAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccncc2)CC3)CC1 ZINC000065313391 569135179 /nfs/dbraw/zinc/13/51/79/569135179.db2.gz LNXFASXRKXSYBP-KRWDZBQOSA-N 0 0 427.574 2.264 50 0 IEAARN CCOC(=O)CCNC(=O)NCCC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000065315132 569135712 /nfs/dbraw/zinc/13/57/12/569135712.db2.gz ZFFLXVJVAAKVBV-UHFFFAOYSA-N 0 0 425.551 2.038 50 0 IEAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2ncccc2Br)C1 ZINC000238868653 569137638 /nfs/dbraw/zinc/13/76/38/569137638.db2.gz MJEKMPISXJZKEI-LBPRGKRZSA-N 0 0 441.303 2.457 50 0 IEAARN O=C(CCn1cnc2ccccc2c1=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000238920836 569137925 /nfs/dbraw/zinc/13/79/25/569137925.db2.gz TVNOMHFRFMHFHO-UHFFFAOYSA-N 0 0 432.528 2.241 50 0 IEAARN C[C@H](Oc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cn1)c1ccccc1 ZINC000065515918 569139001 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ZINC000010025399 569151535 /nfs/dbraw/zinc/15/15/35/569151535.db2.gz OZSDDRGJUWQSOP-UHFFFAOYSA-N 0 0 437.500 2.002 50 0 IEAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)c1 ZINC000010059484 569152167 /nfs/dbraw/zinc/15/21/67/569152167.db2.gz AQKICULTAYYJRL-QGZVFWFLSA-N 0 0 448.541 2.430 50 0 IEAARN COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(CSc2nnc(C)s2)cc1=O ZINC000010254806 569154303 /nfs/dbraw/zinc/15/43/03/569154303.db2.gz PSXDMDYFBJXSPY-UHFFFAOYSA-N 0 0 445.526 2.047 50 0 IEAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000010385400 569154335 /nfs/dbraw/zinc/15/43/35/569154335.db2.gz XDORNJSACMABIC-QGZVFWFLSA-N 0 0 443.548 2.472 50 0 IEAARN COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)CC2=O)cc1 ZINC000071819894 569154650 /nfs/dbraw/zinc/15/46/50/569154650.db2.gz UDSFFEIADKPJFK-LSDHHAIUSA-N 0 0 428.514 2.382 50 0 IEAARN CCN(CC)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000013287476 569154937 /nfs/dbraw/zinc/15/49/37/569154937.db2.gz 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CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccc3F)cc2)C1=O ZINC000013728780 569156885 /nfs/dbraw/zinc/15/68/85/569156885.db2.gz BGIKYIHUNMNWJJ-UHFFFAOYSA-N 0 0 426.491 2.007 50 0 IEAARN CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000014033679 569157506 /nfs/dbraw/zinc/15/75/06/569157506.db2.gz JBEZDPHMTPJNGL-OWCLPIDISA-N 0 0 426.542 2.211 50 0 IEAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2nccnc2N)CC1 ZINC000014043509 569157586 /nfs/dbraw/zinc/15/75/86/569157586.db2.gz RRWUDZKFIRLZHS-UHFFFAOYSA-N 0 0 431.562 2.120 50 0 IEAARN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2nccs2)CC1 ZINC000014350744 569158614 /nfs/dbraw/zinc/15/86/14/569158614.db2.gz MSMZPANGMKUBHS-LBPRGKRZSA-N 0 0 448.492 2.178 50 0 IEAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 ZINC000014414273 569158906 /nfs/dbraw/zinc/15/89/06/569158906.db2.gz IQQNEIHIOKKAMR-FQEVSTJZSA-N 0 0 430.551 2.439 50 0 IEAARN Cc1ccc(CNC(=O)NCC(=O)NCC(=O)Nc2ccccc2Br)cc1 ZINC000014385629 569158987 /nfs/dbraw/zinc/15/89/87/569158987.db2.gz CRHHGIYLMRSRBL-UHFFFAOYSA-N 0 0 433.306 2.312 50 0 IEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1 ZINC000014604694 569159483 /nfs/dbraw/zinc/15/94/83/569159483.db2.gz UCGAXQFUWGOAJC-HZPDHXFCSA-N 0 0 440.525 2.447 50 0 IEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(=O)[nH]c3ccccc32)c(=O)[nH]c1=O ZINC000014623630 569159608 /nfs/dbraw/zinc/15/96/08/569159608.db2.gz BGHVMUNNTOOAMV-UHFFFAOYSA-N 0 0 439.516 2.453 50 0 IEAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nnc(C4CC4)[nH]3)CC2)c(C)c1 ZINC000089614439 569159805 /nfs/dbraw/zinc/15/98/05/569159805.db2.gz CVABMOBPXVFGDE-UHFFFAOYSA-N 0 0 431.562 2.374 50 0 IEAARN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1cnn(C)c1 ZINC000089694681 569161370 /nfs/dbraw/zinc/16/13/70/569161370.db2.gz UCJOZGPBQDULST-SFHVURJKSA-N 0 0 437.548 2.261 50 0 IEAARN O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N(CCO)c2ccc(F)cc2F)c1 ZINC000089780740 569162892 /nfs/dbraw/zinc/16/28/92/569162892.db2.gz SNKPXIVLXMDPFC-UHFFFAOYSA-N 0 0 438.374 2.445 50 0 IEAARN COc1cccc(CNC(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn32)c1OC ZINC000016844492 569163757 /nfs/dbraw/zinc/16/37/57/569163757.db2.gz XXXTUPBQWNHSCR-UHFFFAOYSA-N 0 0 441.469 2.103 50 0 IEAARN O=S(=O)(c1ccccc1)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nn1 ZINC000016847051 569163931 /nfs/dbraw/zinc/16/39/31/569163931.db2.gz VRCJHMJUJMNJAL-UHFFFAOYSA-N 0 0 438.509 2.360 50 0 IEAARN CC(C)[C@H](NC(=O)CN1CCN(c2nccn2C)CC1)c1ccc2c(c1)OCCCO2 ZINC000089801728 569164989 /nfs/dbraw/zinc/16/49/89/569164989.db2.gz MEXULSRPIBCDQX-QFIPXVFZSA-N 0 0 427.549 2.217 50 0 IEAARN O=S1(=O)C[C@H](O)[C@H](N(Cc2ccco2)Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000089857547 569165921 /nfs/dbraw/zinc/16/59/21/569165921.db2.gz DQNPUNHDBTYEPU-YADHBBJMSA-N 0 0 427.526 2.114 50 0 IEAARN CCCCn1c(N)c(N(CCC)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c(=O)[nH]c1=O ZINC000014699372 569166565 /nfs/dbraw/zinc/16/65/65/569166565.db2.gz VHXTXBWNANGKRE-UHFFFAOYSA-N 0 0 433.509 2.097 50 0 IEAARN COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)cc1 ZINC000016954175 569167325 /nfs/dbraw/zinc/16/73/25/569167325.db2.gz LOHLRQLCNMJZOG-UHFFFAOYSA-N 0 0 426.860 2.474 50 0 IEAARN COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)nc1I ZINC000089927858 569167602 /nfs/dbraw/zinc/16/76/02/569167602.db2.gz YKYZQRUGDPCVLH-QWRGUYRKSA-N 0 0 431.274 2.214 50 0 IEAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000016980716 569169175 /nfs/dbraw/zinc/16/91/75/569169175.db2.gz RRLAHZACLQRRGU-UHFFFAOYSA-N 0 0 434.544 2.471 50 0 IEAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NC[C@H]3CCCO3)c12 ZINC000016993007 569169763 /nfs/dbraw/zinc/16/97/63/569169763.db2.gz AYJOUYUJBIHTSG-LSDHHAIUSA-N 0 0 444.513 2.268 50 0 IEAARN COc1ccc(Cn2c(=O)c3c(nc(-n4nc(C)cc4C)n3CC(C)C)n(C)c2=O)cc1 ZINC000017012086 569170487 /nfs/dbraw/zinc/17/04/87/569170487.db2.gz FYRJVOHVNXQDKL-UHFFFAOYSA-N 0 0 436.516 2.412 50 0 IEAARN CCOC(=O)CNC(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037356560 569172272 /nfs/dbraw/zinc/17/22/72/569172272.db2.gz IRHRXTXMXYWYMK-UHFFFAOYSA-N 0 0 437.859 2.456 50 0 IEAARN Cc1ccccc1NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1 ZINC000017135971 569174471 /nfs/dbraw/zinc/17/44/71/569174471.db2.gz JQFZXFCLSZWLPB-UHFFFAOYSA-N 0 0 448.508 2.274 50 0 IEAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C ZINC000017135949 569174511 /nfs/dbraw/zinc/17/45/11/569174511.db2.gz ZCPGJNPPYBPVEB-UHFFFAOYSA-N 0 0 437.481 2.326 50 0 IEAARN O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017169840 569175427 /nfs/dbraw/zinc/17/54/27/569175427.db2.gz CJDHAPRNTMFYKH-KRWDZBQOSA-N 0 0 436.873 2.474 50 0 IEAARN O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178446 569175553 /nfs/dbraw/zinc/17/55/53/569175553.db2.gz CASWJGHCFNKICO-QFIPXVFZSA-N 0 0 439.512 2.366 50 0 IEAARN COCCN1CC(=O)N2[C@H](c3ccc(C(=O)OC)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002116966 569182563 /nfs/dbraw/zinc/18/25/63/569182563.db2.gz XZZMYTZNLVZKHB-NZQKXSOJSA-N 0 0 447.491 2.286 50 0 biogenic IEAARN CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000252487088 569186757 /nfs/dbraw/zinc/18/67/57/569186757.db2.gz HSFZVHKHCKXJKR-OAHLLOKOSA-N 0 0 439.524 2.386 50 0 IEAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)CSc2ccc(F)cc2)CC1 ZINC000252500110 569188112 /nfs/dbraw/zinc/18/81/12/569188112.db2.gz SNEMJYXZLDIUSC-UHFFFAOYSA-N 0 0 426.539 2.181 50 0 IEAARN CCOC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3[C@H](C)c2ccccc2)n(C)c1=O ZINC000010233701 569188297 /nfs/dbraw/zinc/18/82/97/569188297.db2.gz XTGJABIPTLWOQU-MRXNPFEDSA-N 0 0 437.500 2.329 50 0 IEAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000252511238 569188736 /nfs/dbraw/zinc/18/87/36/569188736.db2.gz FHZXURDSISUGQD-JQHSSLGASA-N 0 0 435.532 2.122 50 0 IEAARN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)n(C)n1 ZINC000252538669 569190132 /nfs/dbraw/zinc/19/01/32/569190132.db2.gz NCXHTTFLTPTRBJ-UYAOXDASSA-N 0 0 445.589 2.057 50 0 IEAARN CCN1CCN(C(=O)[C@H](C)n2cc(C)s/c2=N\C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000037435914 569196146 /nfs/dbraw/zinc/19/61/46/569196146.db2.gz LOBNSDXFRMAFBT-GBWQBGJGSA-N 0 0 446.573 2.341 50 0 IEAARN O=C(CN1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21)NC[C@H]1CCCO1 ZINC000037513052 569198143 /nfs/dbraw/zinc/19/81/43/569198143.db2.gz VOUBNFBUYGFMQR-GOSISDBHSA-N 0 0 442.443 2.108 50 0 IEAARN Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N3CCOCC3)CC2)cc1 ZINC000037525418 569198968 /nfs/dbraw/zinc/19/89/68/569198968.db2.gz ABBIAZOUPRNZBG-UHFFFAOYSA-N 0 0 443.569 2.415 50 0 IEAARN O=C(NC1CC1)[C@@H]1CCCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037576866 569201474 /nfs/dbraw/zinc/20/14/74/569201474.db2.gz NDLVFUZHJHWIHJ-FQEVSTJZSA-N 0 0 435.528 2.203 50 0 IEAARN COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(Cl)cc4)c(=O)n3C2=O)cc1 ZINC000066087630 569205545 /nfs/dbraw/zinc/20/55/45/569205545.db2.gz KEVSHSPVRWDEDM-UHFFFAOYSA-N 0 0 427.848 2.012 50 0 IEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC)nc3C)c(=O)n2[C@H]1c1ccccc1 ZINC000252670426 569209911 /nfs/dbraw/zinc/20/99/11/569209911.db2.gz KNWBBOROFDBNFY-FQEVSTJZSA-N 0 0 436.537 2.323 50 0 IEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 ZINC000252670447 569209969 /nfs/dbraw/zinc/20/99/69/569209969.db2.gz KPZQILWHGVRZOB-NRFANRHFSA-N 0 0 448.500 2.334 50 0 IEAARN CCn1nc(C)c(C=c2sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1C ZINC000252671727 569210046 /nfs/dbraw/zinc/21/00/46/569210046.db2.gz OBCUWYHSFHYOSM-HXUWFJFHSA-N 0 0 436.537 2.241 50 0 IEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000252675940 569210267 /nfs/dbraw/zinc/21/02/67/569210267.db2.gz VNBOWPGVLPBERX-GOSISDBHSA-N 0 0 442.928 2.185 50 0 IEAARN CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 ZINC000009270410 569256645 /nfs/dbraw/zinc/25/66/45/569256645.db2.gz YNDXUCZADRHECN-ZNNHNXJJSA-N 0 0 434.504 2.419 50 0 biogenic IEAARN C[C@@]12CC(=O)[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@]2(O)C1(CO)OCCO1 ZINC000071769710 569258550 /nfs/dbraw/zinc/25/85/50/569258550.db2.gz WHPHCSOODSGESM-HEUOLSOISA-N 0 0 448.556 2.338 50 0 IEAARN CCOC(=O)c1ccc(N2C[C@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)cc1 ZINC000253394563 569264448 /nfs/dbraw/zinc/26/44/48/569264448.db2.gz AEBMYMPXDVBZOF-NZSAHSFTSA-N 0 0 449.507 2.024 50 0 biogenic IEAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000253396691 569264553 /nfs/dbraw/zinc/26/45/53/569264553.db2.gz AEECLOYCNHTCOS-MDZRGWNJSA-N 0 0 435.546 2.129 50 0 IEAARN COc1cc([C@@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cc(OC)c1O ZINC000253409443 569265619 /nfs/dbraw/zinc/26/56/19/569265619.db2.gz LVQAYZYVCLQNJL-OAHLLOKOSA-N 0 0 432.473 2.061 50 0 biogenic IEAARN COc1cc([C@@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cc2c1OCO2 ZINC000253415130 569266295 /nfs/dbraw/zinc/26/62/95/569266295.db2.gz ZSHKXAPIENXKCM-OAHLLOKOSA-N 0 0 430.457 2.076 50 0 biogenic IEAARN COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C3)CCCC2)cc1 ZINC000253427508 569267363 /nfs/dbraw/zinc/26/73/63/569267363.db2.gz VDVYIXRZEVFKBV-WOJBJXKFSA-N 0 0 432.561 2.352 50 0 IEAARN COc1nc(NCc2ccccc2)nc(N(C#N)[C@H](NC=O)C(Cl)(Cl)Cl)n1 ZINC000002301028 569271413 /nfs/dbraw/zinc/27/14/13/569271413.db2.gz NWBYBALVECOBFD-NSHDSACASA-N 0 0 430.683 2.222 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N3CCc4ccccc4C3)C2=O)cc1OC ZINC000253535712 569284133 /nfs/dbraw/zinc/28/41/33/569284133.db2.gz BBQLVHCQQCRUAP-LJQANCHMSA-N 0 0 437.496 2.346 50 0 IEAARN COc1ccc(CN(CC(=O)N2CCc3ccccc3C2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027649093 569288448 /nfs/dbraw/zinc/28/84/48/569288448.db2.gz WWDUDWCZQGBZJR-NRFANRHFSA-N 0 0 428.554 2.269 50 0 IEAARN COc1cc(Br)c(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1OC ZINC000008719064 569290170 /nfs/dbraw/zinc/29/01/70/569290170.db2.gz HDWUMDRCASDTKX-UHFFFAOYSA-N 0 0 429.292 2.390 50 0 IEAARN COc1cccc(CN2C(=O)N[C@@](NC(=O)c3ccco3)(C(F)(F)F)C2=O)c1OC ZINC000002441659 569304166 /nfs/dbraw/zinc/30/41/66/569304166.db2.gz RKKMVEZYLQOBKK-QGZVFWFLSA-N 0 0 427.335 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KWCQMNDBZUVBPP-FQEVSTJZSA-N 0 0 435.484 2.131 50 0 biogenic IEAARN Cc1cc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2cc(C)cc(C)c2)n[nH]1 ZINC000008767711 569474930 /nfs/dbraw/zinc/47/49/30/569474930.db2.gz RMEIJXUDZGSJRM-CVEARBPZSA-N 0 0 433.559 2.048 50 0 IEAARN CCOC(=O)CNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N(CC)CC)n1 ZINC000008767967 569474953 /nfs/dbraw/zinc/47/49/53/569474953.db2.gz WTNMNWWJCWHKCJ-UHFFFAOYSA-N 0 0 439.476 2.031 50 0 IEAARN O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)N1CCc2ccccc21 ZINC000008769294 569475063 /nfs/dbraw/zinc/47/50/63/569475063.db2.gz SBJZXWMYOQFRSZ-UHFFFAOYSA-N 0 0 436.487 2.301 50 0 IEAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C1=O ZINC000008769352 569475083 /nfs/dbraw/zinc/47/50/83/569475083.db2.gz ZJGVUHYQJXNMEO-GOSISDBHSA-N 0 0 434.547 2.109 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1C ZINC000008769348 569475085 /nfs/dbraw/zinc/47/50/85/569475085.db2.gz GPWGPGGAPLNGMQ-UHFFFAOYSA-N 0 0 443.525 2.279 50 0 IEAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C1=O ZINC000008771643 569475241 /nfs/dbraw/zinc/47/52/41/569475241.db2.gz JGCHILAQXXGNFT-HXUWFJFHSA-N 0 0 428.518 2.048 50 0 IEAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1OC ZINC000008775687 569475335 /nfs/dbraw/zinc/47/53/35/569475335.db2.gz NQUSNWCSMKOKBZ-INIZCTEOSA-N 0 0 426.498 2.269 50 0 IEAARN Cc1nn(Cc2nnnn2-c2ccccc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008776214 569475344 /nfs/dbraw/zinc/47/53/44/569475344.db2.gz PVCNZTJMBSPQSR-UHFFFAOYSA-N 0 0 435.513 2.275 50 0 IEAARN Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)n2)cc1 ZINC000008779698 569475548 /nfs/dbraw/zinc/47/55/48/569475548.db2.gz OWZAKNJLPYBUOW-QFIPXVFZSA-N 0 0 431.456 2.236 50 0 IEAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)CO ZINC000008790711 569476125 /nfs/dbraw/zinc/47/61/25/569476125.db2.gz FIMFOCLVGXBDNK-OYSHDIIGSA-N 0 0 433.574 2.063 50 0 biogenic IEAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CC1 ZINC000008791596 569476266 /nfs/dbraw/zinc/47/62/66/569476266.db2.gz VMPZSFLGZUGSIO-JYYJXNPCSA-N 0 0 428.492 2.421 50 0 biogenic IEAARN CCOC(=O)N1CCN(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)CC1 ZINC000008825765 569477475 /nfs/dbraw/zinc/47/74/75/569477475.db2.gz VERGYMPKTCHEGS-UHFFFAOYSA-N 0 0 431.514 2.479 50 0 IEAARN O=C(CSc1nnc(NCc2ccccc2)s1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000008849512 569479265 /nfs/dbraw/zinc/47/92/65/569479265.db2.gz BOCLDUBEXRDCFY-UHFFFAOYSA-N 0 0 445.570 2.430 50 0 IEAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)N1CCNC1=O ZINC000008860759 569479921 /nfs/dbraw/zinc/47/99/21/569479921.db2.gz WGWLOTVDELICDR-UHFFFAOYSA-N 0 0 437.481 2.366 50 0 IEAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008880107 569481402 /nfs/dbraw/zinc/48/14/02/569481402.db2.gz UHILHRDRGJHPDJ-SGTLLEGYSA-N 0 0 447.438 2.389 50 0 IEAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC000039606681 569481825 /nfs/dbraw/zinc/48/18/25/569481825.db2.gz YUDSELJEDUDJBE-UHFFFAOYSA-N 0 0 431.514 2.464 50 0 IEAARN COc1cccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC(C)=C2C(=O)OCC(C)C)c1OC ZINC000039888797 569481967 /nfs/dbraw/zinc/48/19/67/569481967.db2.gz ZTWQJIBCPTYIMD-QGZVFWFLSA-N 0 0 443.500 2.132 50 0 IEAARN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cnn1-c1ccccc1 ZINC000040017203 569482650 /nfs/dbraw/zinc/48/26/50/569482650.db2.gz RNAWWAPGCTWSRQ-QFIPXVFZSA-N 0 0 432.480 2.305 50 0 IEAARN O=C(CCn1ccc2ccccc21)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000040024513 569482727 /nfs/dbraw/zinc/48/27/27/569482727.db2.gz MZLBSPMTTMZXBV-UHFFFAOYSA-N 0 0 427.526 2.369 50 0 IEAARN NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2 ZINC000008896150 569483893 /nfs/dbraw/zinc/48/38/93/569483893.db2.gz RLLHNWSUDPYCSW-CQSZACIVSA-N 0 0 437.518 2.267 50 0 IEAARN Cc1cccc(-c2nc(SCC(=O)NC3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000008896572 569483919 /nfs/dbraw/zinc/48/39/19/569483919.db2.gz LBZRHCDSRPFBJM-UHFFFAOYSA-N 0 0 439.541 2.154 50 0 IEAARN NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008896653 569483954 /nfs/dbraw/zinc/48/39/54/569483954.db2.gz SQECQSPSFYHPNE-HNNXBMFYSA-N 0 0 431.445 2.463 50 0 IEAARN Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1Cc1ccco1 ZINC000008900166 569484075 /nfs/dbraw/zinc/48/40/75/569484075.db2.gz HETQQPSGFONKGP-UHFFFAOYSA-N 0 0 429.864 2.030 50 0 IEAARN Cc1cc(C)cc(-c2nc(SCC(=O)N3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000008900901 569484295 /nfs/dbraw/zinc/48/42/95/569484295.db2.gz BEQKRNMLEUUCLP-UHFFFAOYSA-N 0 0 439.541 2.026 50 0 IEAARN CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1OCC ZINC000040051361 569484411 /nfs/dbraw/zinc/48/44/11/569484411.db2.gz HELNSGGJDLBDPB-OAHLLOKOSA-N 0 0 439.520 2.411 50 0 IEAARN COC(=O)c1ccc(Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)o1 ZINC000008903436 569484477 /nfs/dbraw/zinc/48/44/77/569484477.db2.gz ZBBDOXXDXPWQMA-UHFFFAOYSA-N 0 0 435.318 2.304 50 0 IEAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2cccc(C)c2)c1=O ZINC000008903505 569484487 /nfs/dbraw/zinc/48/44/87/569484487.db2.gz HPJSTBGYMCWEFH-UHFFFAOYSA-N 0 0 432.440 2.101 50 0 IEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000040090870 569487454 /nfs/dbraw/zinc/48/74/54/569487454.db2.gz MGQSYXQADMTIOR-GASCZTMLSA-N 0 0 449.511 2.003 50 0 IEAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000008940022 569488281 /nfs/dbraw/zinc/48/82/81/569488281.db2.gz NIYWEDVEOBHVIW-UHFFFAOYSA-N 0 0 441.557 2.169 50 0 IEAARN CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2csc(C3CCCCC3)n2)CC1 ZINC000040106432 569488399 /nfs/dbraw/zinc/48/83/99/569488399.db2.gz VXHRPZPTFVHHPE-CQSZACIVSA-N 0 0 427.592 2.185 50 0 IEAARN Cc1nccn1-c1cc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000040108362 569488527 /nfs/dbraw/zinc/48/85/27/569488527.db2.gz DPOFVMYNVPBWHE-HXUWFJFHSA-N 0 0 439.541 2.435 50 0 IEAARN Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000040108361 569488549 /nfs/dbraw/zinc/48/85/49/569488549.db2.gz DPOFVMYNVPBWHE-FQEVSTJZSA-N 0 0 439.541 2.435 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000008944162 569488936 /nfs/dbraw/zinc/48/89/36/569488936.db2.gz ORZYJSMZKXCSTD-INIZCTEOSA-N 0 0 434.514 2.431 50 0 IEAARN CSc1nc2c(cnn2CCNC(=O)COc2ccccc2F)c(N2CCCC2)n1 ZINC000008946754 569489106 /nfs/dbraw/zinc/48/91/06/569489106.db2.gz RUOGDAFHUMTAKT-UHFFFAOYSA-N 0 0 430.509 2.483 50 0 IEAARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N[C@H]1CCCCNC1=O ZINC000040122878 569489616 /nfs/dbraw/zinc/48/96/16/569489616.db2.gz XHAOOYJGIZIKNP-LBPRGKRZSA-N 0 0 425.308 2.376 50 0 IEAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C(C)C)cc1 ZINC000040122301 569489620 /nfs/dbraw/zinc/48/96/20/569489620.db2.gz AMQCJDLDDVTVQY-UYAOXDASSA-N 0 0 435.590 2.063 50 0 IEAARN CC(C)CN1C[C@@H](C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1=O ZINC000040122055 569489638 /nfs/dbraw/zinc/48/96/38/569489638.db2.gz CJQKCBPCYVPGRK-INIZCTEOSA-N 0 0 425.451 2.494 50 0 IEAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 ZINC000040123149 569489697 /nfs/dbraw/zinc/48/96/97/569489697.db2.gz IKGPISKGWUGBHS-UHFFFAOYSA-N 0 0 429.908 2.458 50 0 IEAARN CCOC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 ZINC000008954954 569490038 /nfs/dbraw/zinc/49/00/38/569490038.db2.gz DQKJLCZNPBAHAL-UHFFFAOYSA-N 0 0 433.511 2.127 50 0 IEAARN CN(C)c1ncccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000040133999 569490512 /nfs/dbraw/zinc/49/05/12/569490512.db2.gz NLJHIIMJGRXTNT-UHFFFAOYSA-N 0 0 427.324 2.169 50 0 IEAARN Cn1cc(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cn1 ZINC000040135652 569490697 /nfs/dbraw/zinc/49/06/97/569490697.db2.gz KMNAMYJXNJTBKO-UHFFFAOYSA-N 0 0 430.555 2.201 50 0 IEAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000008964877 569491304 /nfs/dbraw/zinc/49/13/04/569491304.db2.gz LGLFXGWEPQOXGU-LJQANCHMSA-N 0 0 433.464 2.476 50 0 biogenic IEAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000008965975 569491598 /nfs/dbraw/zinc/49/15/98/569491598.db2.gz CFSHCFCFUNJSCY-KUHUBIRLSA-N 0 0 445.479 2.395 50 0 IEAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000040141452 569491712 /nfs/dbraw/zinc/49/17/12/569491712.db2.gz WRSDEKSDHOFKCB-AWEZNQCLSA-N 0 0 427.896 2.381 50 0 IEAARN Cc1cnn(-c2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)cc2)c1 ZINC000040141933 569491751 /nfs/dbraw/zinc/49/17/51/569491751.db2.gz OPYCDMLPWSHNCQ-UHFFFAOYSA-N 0 0 445.589 2.448 50 0 IEAARN Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000040144562 569492028 /nfs/dbraw/zinc/49/20/28/569492028.db2.gz SOPACZBXWVBXPP-UHFFFAOYSA-N 0 0 428.562 2.282 50 0 IEAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000040145701 569492142 /nfs/dbraw/zinc/49/21/42/569492142.db2.gz LEZZPJLCZHFUTM-GOSISDBHSA-N 0 0 435.550 2.140 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)c(C)c1 ZINC000040149014 569492413 /nfs/dbraw/zinc/49/24/13/569492413.db2.gz 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O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1 ZINC000244975093 569496709 /nfs/dbraw/zinc/49/67/09/569496709.db2.gz IBDNYWWMIULSNZ-FQEVSTJZSA-N 0 0 446.506 2.209 50 0 IEAARN COc1ccc(CC(=O)NCCn2ncc3c2ncn(Cc2cccc(F)c2)c3=O)cc1 ZINC000009016709 569496850 /nfs/dbraw/zinc/49/68/50/569496850.db2.gz QSNLDJSULDYSPW-UHFFFAOYSA-N 0 0 435.459 2.148 50 0 IEAARN COc1cccc(N2C[C@H](NC(=O)c3ccnc(OCC4CCOCC4)c3)CC2=O)c1 ZINC000245053664 569497071 /nfs/dbraw/zinc/49/70/71/569497071.db2.gz PFQNXUQDOBRIMV-GOSISDBHSA-N 0 0 425.485 2.431 50 0 IEAARN COc1ccc(CNC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000009033978 569497213 /nfs/dbraw/zinc/49/72/13/569497213.db2.gz CGIPXYGWHXZFDV-KSFYIVLOSA-N 0 0 440.452 2.189 50 0 biogenic IEAARN CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000009036078 569497305 /nfs/dbraw/zinc/49/73/05/569497305.db2.gz ZOYMEFPLLZWBJR-HNNXBMFYSA-N 0 0 434.514 2.434 50 0 IEAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n1 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435.440 2.465 50 0 IEAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCCN1C(=O)c2ccccc2C1=O ZINC000022310480 523271973 /nfs/dbraw/zinc/27/19/73/523271973.db2.gz MJTDSANPWDDXSI-UHFFFAOYSA-N 0 0 430.511 2.092 50 0 IEAARN CCn1c2ccccc2c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 ZINC000012563401 523277544 /nfs/dbraw/zinc/27/75/44/523277544.db2.gz JXGNFCPJUMYIOG-UHFFFAOYSA-N 0 0 430.468 2.200 50 0 IEAARN COCCCN1C(=O)C[C@@](CC(=O)N[C@H](C)c2cn(C)nc2C)(c2ccccc2C)C1=O ZINC000014996989 523287011 /nfs/dbraw/zinc/28/70/11/523287011.db2.gz PFLYHLICTRFFEI-OSPHWJPCSA-N 0 0 440.544 2.338 50 0 IEAARN COc1ccc(-c2noc(CN3CCN(CC(=O)N4CCCCCC4)CC3)n2)c(OC)c1 ZINC000022914836 523289478 /nfs/dbraw/zinc/28/94/78/523289478.db2.gz DQJANMSYSYWVRZ-UHFFFAOYSA-N 0 0 443.548 2.274 50 0 IEAARN COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)n2)cc1 ZINC000023259338 523290813 /nfs/dbraw/zinc/29/08/13/523290813.db2.gz IMHPMYFMHDNDRJ-FQEVSTJZSA-N 0 0 436.468 2.229 50 0 IEAARN COCCCNC(=O)CN1CCN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 ZINC000022912078 523324856 /nfs/dbraw/zinc/32/48/56/523324856.db2.gz RXOFTKMWPSZUAK-UHFFFAOYSA-N 0 0 439.969 2.254 50 0 IEAARN CCn1cc(C(=O)Nc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000020728008 523348193 /nfs/dbraw/zinc/34/81/93/523348193.db2.gz CZMDOLFBKZCLKB-UHFFFAOYSA-N 0 0 437.475 2.476 50 0 IEAARN COC(=O)Cc1csc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)n1 ZINC000012296756 523380474 /nfs/dbraw/zinc/38/04/74/523380474.db2.gz XRKVRRICPCSQHG-UHFFFAOYSA-N 0 0 432.454 2.472 50 0 biogenic IEAARN COc1ccc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000033499261 523429931 /nfs/dbraw/zinc/42/99/31/523429931.db2.gz VQHOTEPNLAFJKD-YHYXMXQVSA-N 0 0 432.498 2.377 50 0 IEAARN COc1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000034871905 523431860 /nfs/dbraw/zinc/43/18/60/523431860.db2.gz NXPRYPDHQFVIAN-CLFYSBASSA-N 0 0 432.498 2.377 50 0 IEAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000021962698 523505963 /nfs/dbraw/zinc/50/59/63/523505963.db2.gz KQJBQMJZSCTQCG-UHFFFAOYSA-N 0 0 434.468 2.478 50 0 IEAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000012599123 523563615 /nfs/dbraw/zinc/56/36/15/523563615.db2.gz FLBNVTZIPLRWFR-UHFFFAOYSA-N 0 0 446.916 2.289 50 0 IEAARN COc1ccc(C(=O)COC(=O)CNS(=O)(=O)C=Cc2ccc(C)cc2)cc1OC ZINC000035684547 523586071 /nfs/dbraw/zinc/58/60/71/523586071.db2.gz OUAHEEUOBUECMY-KHPPLWFESA-N 0 0 433.482 2.328 50 0 IEAARN CN(Cc1nccn1C)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012299796 523594589 /nfs/dbraw/zinc/59/45/89/523594589.db2.gz YMMCUKOTSWYVMG-UHFFFAOYSA-N 0 0 440.953 2.149 50 0 IEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(OC)c(OC)c2)C1=O ZINC000012810534 523627335 /nfs/dbraw/zinc/62/73/35/523627335.db2.gz JRLPSYBLSPZHGU-JOCHJYFZSA-N 0 0 429.448 2.316 50 0 IEAARN CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O ZINC000022918535 523630461 /nfs/dbraw/zinc/63/04/61/523630461.db2.gz PRJUTIZBHRVRIE-XMMPIXPASA-N 0 0 436.512 2.348 50 0 IEAARN CC[S@@](=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012807283 523637647 /nfs/dbraw/zinc/63/76/47/523637647.db2.gz JZDQWHVKTNFCBU-LJAQVGFWSA-N 0 0 446.594 2.450 50 0 IEAARN COc1ccc(C(=O)N2CCN(C(=O)CC[C@]3(Cc4ccco4)CCC(=O)N3)CC2)cc1 ZINC000012099680 523643480 /nfs/dbraw/zinc/64/34/80/523643480.db2.gz XGJRCYMEDWSFBZ-DEOSSOPVSA-N 0 0 439.512 2.244 50 0 IEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 ZINC000015664390 523652414 /nfs/dbraw/zinc/65/24/14/523652414.db2.gz LIUVULNLSWICFK-UHFFFAOYSA-N 0 0 442.522 2.426 50 0 IEAARN COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC000012807070 523653048 /nfs/dbraw/zinc/65/30/48/523653048.db2.gz TUSRRZLWCDUPIY-UHFFFAOYSA-N 0 0 444.557 2.274 50 0 IEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCCc1ccccc1 ZINC000035373974 523671346 /nfs/dbraw/zinc/67/13/46/523671346.db2.gz DSPXSUIFTMMONN-UHFFFAOYSA-N 0 0 445.523 2.095 50 0 IEAARN COc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000012898776 523687834 /nfs/dbraw/zinc/68/78/34/523687834.db2.gz KZKNNJLAIZYHKK-UHFFFAOYSA-N 0 0 425.485 2.311 50 0 IEAARN COCCN(CCC(=O)NC[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001471 523690442 /nfs/dbraw/zinc/69/04/42/523690442.db2.gz REVNKTSIQQQYAT-INIZCTEOSA-N 0 0 431.489 2.124 50 0 IEAARN COc1ccc(C(=O)NCCC(=O)OC(C)C)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000016964072 523691260 /nfs/dbraw/zinc/69/12/60/523691260.db2.gz POADYAWDPMEKGG-OAHLLOKOSA-N 0 0 426.535 2.330 50 0 IEAARN CN1C(=O)c2cc(C(=O)NCc3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021874927 523731438 /nfs/dbraw/zinc/73/14/38/523731438.db2.gz ANEDUBLXZJCUNP-NRFANRHFSA-N 0 0 429.546 2.168 50 0 IEAARN CN1C(=O)c2cc(C(=O)NCc3cccc(F)c3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021875101 523731670 /nfs/dbraw/zinc/73/16/70/523731670.db2.gz MBHOAUWDGRBTCJ-QHCPKHFHSA-N 0 0 441.507 2.245 50 0 IEAARN CN1C2=C(C(=O)N(CCC(=O)NCc3ccco3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000035965169 523738373 /nfs/dbraw/zinc/73/83/73/523738373.db2.gz XDVPCOSPPUNUPG-IBGZPJMESA-N 0 0 428.876 2.432 50 0 IEAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(OC)c(OC)c2)C1=O ZINC000012810528 523746883 /nfs/dbraw/zinc/74/68/83/523746883.db2.gz JRLPSYBLSPZHGU-QFIPXVFZSA-N 0 0 429.448 2.316 50 0 IEAARN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012881757 523835601 /nfs/dbraw/zinc/83/56/01/523835601.db2.gz ATPLPIAXNIWEIL-GOSISDBHSA-N 0 0 431.558 2.478 50 0 IEAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000020994333 523837987 /nfs/dbraw/zinc/83/79/87/523837987.db2.gz DZGLIQBYGDRGHX-CQSZACIVSA-N 0 0 445.497 2.478 50 0 IEAARN COc1ccc(C)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1N ZINC000020575030 523842638 /nfs/dbraw/zinc/84/26/38/523842638.db2.gz OSLQCBOYNVAFPN-UHFFFAOYSA-N 0 0 440.460 2.086 50 0 IEAARN CN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)CC1 ZINC000022768367 523875081 /nfs/dbraw/zinc/87/50/81/523875081.db2.gz VPUNPGWNHZWKML-OAHLLOKOSA-N 0 0 444.948 2.047 50 0 IEAARN COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1 ZINC000016953616 523894272 /nfs/dbraw/zinc/89/42/72/523894272.db2.gz HBXGXYCUCWXFTI-UHFFFAOYSA-N 0 0 447.474 2.250 50 0 IEAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1 ZINC000020762025 523900237 /nfs/dbraw/zinc/90/02/37/523900237.db2.gz OQFYXPCQAZEJIS-PKOBYXMFSA-N 0 0 448.545 2.379 50 0 biogenic IEAARN COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1OC ZINC000036054260 523913342 /nfs/dbraw/zinc/91/33/42/523913342.db2.gz DKNLLDRJRQLLNU-VQTJNVASSA-N 0 0 442.512 2.331 50 0 IEAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036059206 523913696 /nfs/dbraw/zinc/91/36/96/523913696.db2.gz VRGKJOKISZAHAU-LEWJYISDSA-N 0 0 442.512 2.331 50 0 IEAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1ccc(OC)cc1OC ZINC000036059770 523920864 /nfs/dbraw/zinc/92/08/64/523920864.db2.gz OJCIINPDAIEWQV-MOPGFXCFSA-N 0 0 430.476 2.461 50 0 IEAARN COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NCCc2ccc(F)cc2)c1=O ZINC000012194851 523928460 /nfs/dbraw/zinc/92/84/60/523928460.db2.gz ZYUNHRHVHZPICA-UHFFFAOYSA-N 0 0 431.508 2.382 50 0 IEAARN CCc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCCC(C)C)N(C)C3=O)cc1 ZINC000021875905 523939430 /nfs/dbraw/zinc/93/94/30/523939430.db2.gz MPKPASANJBDCRY-DEOSSOPVSA-N 0 0 439.560 2.382 50 0 IEAARN COc1ccc(CCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC ZINC000015799801 523958305 /nfs/dbraw/zinc/95/83/05/523958305.db2.gz LACIMQNPRJSTQK-UHFFFAOYSA-N 0 0 426.922 2.482 50 0 IEAARN COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)cc2)cc1OC ZINC000012454171 523959702 /nfs/dbraw/zinc/95/97/02/523959702.db2.gz AXBNTFONGYYGAG-HXUWFJFHSA-N 0 0 425.529 2.062 50 0 IEAARN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020614134 523968623 /nfs/dbraw/zinc/96/86/23/523968623.db2.gz ZHIJFPFZEMIBQL-LJQANCHMSA-N 0 0 425.485 2.106 50 0 IEAARN COc1ccc(CCNC(=O)c2nc(CCS(=O)(=O)c3ccccc3)no2)cc1OC ZINC000035527928 523972160 /nfs/dbraw/zinc/97/21/60/523972160.db2.gz XPHIFPQLDJOILM-UHFFFAOYSA-N 0 0 445.497 2.076 50 0 IEAARN CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(OC)cc4)C(=O)N3C2)cc1 ZINC000014542500 523987085 /nfs/dbraw/zinc/98/70/85/523987085.db2.gz VDUZURYNIHQZSO-JBACZVJFSA-N 0 0 436.512 2.090 50 0 IEAARN CN(C)C(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1 ZINC000022785205 523987796 /nfs/dbraw/zinc/98/77/96/523987796.db2.gz LKOWDSIYPIOYTM-KRWDZBQOSA-N 0 0 445.614 2.193 50 0 IEAARN COc1ccc(CNC(=O)CCCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000021155611 524047348 /nfs/dbraw/zinc/04/73/48/524047348.db2.gz FBCGMPBNAVCFII-UHFFFAOYSA-N 0 0 430.530 2.392 50 0 IEAARN COc1ccc(CNC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)cc1 ZINC000012216485 524053960 /nfs/dbraw/zinc/05/39/60/524053960.db2.gz QOPIGBWLZZSAHN-UHFFFAOYSA-N 0 0 443.529 2.173 50 0 IEAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCC(C(N)=O)CC1 ZINC000021176748 524058819 /nfs/dbraw/zinc/05/88/19/524058819.db2.gz MPZVCYRTKNZPDG-UHFFFAOYSA-N 0 0 427.526 2.149 50 0 IEAARN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262192 524064242 /nfs/dbraw/zinc/06/42/42/524064242.db2.gz WQIWZROZNNFRFE-INIZCTEOSA-N 0 0 444.513 2.395 50 0 IEAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012921174 524067682 /nfs/dbraw/zinc/06/76/82/524067682.db2.gz LMSAYCRNKNNQEE-UHFFFAOYSA-N 0 0 446.573 2.288 50 0 IEAARN CCc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(F)cc2)c1 ZINC000021529007 524071363 /nfs/dbraw/zinc/07/13/63/524071363.db2.gz ANEYDXNNXVLEIO-JOCHJYFZSA-N 0 0 447.532 2.071 50 0 IEAARN CCc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000021529149 524071536 /nfs/dbraw/zinc/07/15/36/524071536.db2.gz PVONEXGZNBSAME-QHCPKHFHSA-N 0 0 443.569 2.241 50 0 IEAARN CNC(=O)CSc1nnc(N2CCN(C(=O)Cc3cccc4ccccc43)CC2)s1 ZINC000023141767 524075357 /nfs/dbraw/zinc/07/53/57/524075357.db2.gz KXGHMDVEHOOSJM-UHFFFAOYSA-N 0 0 441.582 2.421 50 0 IEAARN COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)C(C)C)n(N)c2=O)cc1 ZINC000012348445 524169097 /nfs/dbraw/zinc/16/90/97/524169097.db2.gz WHHATAROXLZVET-UHFFFAOYSA-N 0 0 439.541 2.485 50 0 IEAARN Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000012861095 524179494 /nfs/dbraw/zinc/17/94/94/524179494.db2.gz LJLBJZRIQUDELQ-SBUREZEXSA-N 0 0 426.469 2.282 50 0 IEAARN Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C(C)C ZINC000023641217 524196678 /nfs/dbraw/zinc/19/66/78/524196678.db2.gz JKUVGQFSXUMOSN-UHFFFAOYSA-N 0 0 447.557 2.376 50 0 IEAARN Cc1cc(C(=O)OCC(=O)NC2CCCC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000012695685 524196820 /nfs/dbraw/zinc/19/68/20/524196820.db2.gz MVOUSZVMCDZZIC-UHFFFAOYSA-N 0 0 433.530 2.016 50 0 IEAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000012811186 524217888 /nfs/dbraw/zinc/21/78/88/524217888.db2.gz XSMUIGUQAKVJGK-LXTVHRRPSA-N 0 0 438.908 2.269 50 0 IEAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012391801 524239546 /nfs/dbraw/zinc/23/95/46/524239546.db2.gz ZUKCLNVGZDTJME-LBPRGKRZSA-N 0 0 431.880 2.487 50 0 IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)C1 ZINC000012793164 524241925 /nfs/dbraw/zinc/24/19/25/524241925.db2.gz MCBSXYSHSIAEJL-MRXNPFEDSA-N 0 0 440.525 2.456 50 0 IEAARN COc1ccc(Cn2nccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000018234877 524266331 /nfs/dbraw/zinc/26/63/31/524266331.db2.gz CMKVHNXLNLZYMD-UHFFFAOYSA-N 0 0 444.513 2.451 50 0 IEAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000014253662 524274238 /nfs/dbraw/zinc/27/42/38/524274238.db2.gz QYARXLFBULKJFV-UHFFFAOYSA-N 0 0 447.539 2.255 50 0 IEAARN COc1ccccc1/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000012786427 524314980 /nfs/dbraw/zinc/31/49/80/524314980.db2.gz NJNNADYRSCFDAU-JXMROGBWSA-N 0 0 432.498 2.377 50 0 IEAARN Cc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000021532170 524325847 /nfs/dbraw/zinc/32/58/47/524325847.db2.gz RCKACCJBCXDKSB-UHFFFAOYSA-N 0 0 429.542 2.249 50 0 IEAARN COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCCOC(C)=O ZINC000012379963 524338982 /nfs/dbraw/zinc/33/89/82/524338982.db2.gz LNPASAMMBXDZIP-LDADJPATSA-N 0 0 440.452 2.264 50 0 IEAARN COc1ccccc1C(=O)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013113234 524349621 /nfs/dbraw/zinc/34/96/21/524349621.db2.gz ZLLGUYZEIRCTOW-UHFFFAOYSA-N 0 0 431.514 2.238 50 0 IEAARN Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487169 524354796 /nfs/dbraw/zinc/35/47/96/524354796.db2.gz LVTFBEMBELPLCE-UHFFFAOYSA-N 0 0 443.569 2.228 50 0 IEAARN COc1ccccc1CCNC(=O)c1cnc2sc(N3CCC[C@@H](C)C3)nn2c1=O ZINC000021537779 524419618 /nfs/dbraw/zinc/41/96/18/524419618.db2.gz HCWBATLIXSXCML-CQSZACIVSA-N 0 0 427.530 2.368 50 0 IEAARN Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021431 524426085 /nfs/dbraw/zinc/42/60/85/524426085.db2.gz JHPWNPIEANYJFI-KRWDZBQOSA-N 0 0 443.525 2.043 50 0 IEAARN Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000020927925 524427903 /nfs/dbraw/zinc/42/79/03/524427903.db2.gz RABTWVRXOSTRLK-JOCHJYFZSA-N 0 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COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1OC ZINC000021532015 524490168 /nfs/dbraw/zinc/49/01/68/524490168.db2.gz SLRUNHYPECCDNH-UHFFFAOYSA-N 0 0 447.513 2.238 50 0 IEAARN COc1ccccc1CNS(=O)(=O)c1cc(N2CCCCS2(=O)=O)ccc1OC ZINC000012004631 524491295 /nfs/dbraw/zinc/49/12/95/524491295.db2.gz ZJCYZJGSIUVVSL-UHFFFAOYSA-N 0 0 440.543 2.112 50 0 IEAARN Cc1cc(C)n(CCC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000032888250 524516360 /nfs/dbraw/zinc/51/63/60/524516360.db2.gz UBNPXVYBQTXCLX-UHFFFAOYSA-N 0 0 444.479 2.442 50 0 IEAARN COc1ccccc1Cn1ccn(CC(=O)Nc2cc(Cl)ccc2OC)c(=O)c1=O ZINC000020902308 524520624 /nfs/dbraw/zinc/52/06/24/524520624.db2.gz KLRHMXDVKOMQBT-UHFFFAOYSA-N 0 0 429.860 2.368 50 0 IEAARN COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1OC ZINC000020574996 524534383 /nfs/dbraw/zinc/53/43/83/524534383.db2.gz MQKZMTCQKVAJHI-UHFFFAOYSA-N 0 0 444.879 2.100 50 0 IEAARN COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000023232990 524548895 /nfs/dbraw/zinc/54/88/95/524548895.db2.gz DYQBXHPFFPZUGD-UHFFFAOYSA-N 0 0 447.513 2.395 50 0 IEAARN Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000035449172 524549890 /nfs/dbraw/zinc/54/98/90/524549890.db2.gz JHDYKJSHPXXQJX-GOSISDBHSA-N 0 0 443.525 2.104 50 0 IEAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2cccc(C)c2C)cc1 ZINC000021529063 524554180 /nfs/dbraw/zinc/55/41/80/524554180.db2.gz JORRHAJPHNACBQ-QHCPKHFHSA-N 0 0 443.569 2.295 50 0 IEAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(F)cc2C)cc1 ZINC000015680281 524554597 /nfs/dbraw/zinc/55/45/97/524554597.db2.gz LHUASDHUTDCAOL-QFIPXVFZSA-N 0 0 447.532 2.126 50 0 IEAARN C[C@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H](C)O1 ZINC000021049108 524554744 /nfs/dbraw/zinc/55/47/44/524554744.db2.gz CVBWABCXXKLQLS-KBPBESRZSA-N 0 0 431.986 2.208 50 0 IEAARN Cc1cccc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)c1 ZINC000022908993 524602371 /nfs/dbraw/zinc/60/23/71/524602371.db2.gz VOSKTDLBBWBBPK-UHFFFAOYSA-N 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Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014538159 524751218 /nfs/dbraw/zinc/75/12/18/524751218.db2.gz PLSMOMKCBIODCO-UHOSZYNNSA-N 0 0 426.904 2.481 50 0 IEAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CCOCC3)C3CC3)no2)c1 ZINC000036015249 524790181 /nfs/dbraw/zinc/79/01/81/524790181.db2.gz JQIMGCVRPILMPJ-UHFFFAOYSA-N 0 0 429.473 2.212 50 0 IEAARN C[C@@H]1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C[C@H](C)O1 ZINC000012232908 524793777 /nfs/dbraw/zinc/79/37/77/524793777.db2.gz KOZMBDJYZSBPMH-LZWOXQAQSA-N 0 0 425.514 2.255 50 0 IEAARN COc1ccc(OC)c(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)c1 ZINC000022609165 524843309 /nfs/dbraw/zinc/84/33/09/524843309.db2.gz MKQBXXOZAACHFD-SFHVURJKSA-N 0 0 426.469 2.411 50 0 biogenic IEAARN C[C@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000012391485 524935222 /nfs/dbraw/zinc/93/52/22/524935222.db2.gz QLWMWLPHOOLHGZ-HNNXBMFYSA-N 0 0 445.516 2.334 50 0 IEAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3nccs3)ccc2N1C(=O)C1CC1 ZINC000020529622 524980863 /nfs/dbraw/zinc/98/08/63/524980863.db2.gz VSPJZBQAIUHPKD-LBPRGKRZSA-N 0 0 434.543 2.138 50 0 IEAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000012650495 524999979 /nfs/dbraw/zinc/99/99/79/524999979.db2.gz IIZNGMGPWVBYGK-UHFFFAOYSA-N 0 0 437.949 2.318 50 0 IEAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1 ZINC000020897015 525000612 /nfs/dbraw/zinc/00/06/12/525000612.db2.gz RRFXFYNCWKDCPK-UHFFFAOYSA-N 0 0 438.527 2.220 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000012234856 525018439 /nfs/dbraw/zinc/01/84/39/525018439.db2.gz BITAVLXOCMNDFU-UHFFFAOYSA-N 0 0 429.498 2.081 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000035432460 525020799 /nfs/dbraw/zinc/02/07/99/525020799.db2.gz UVEFLEZBHFOZFF-UHFFFAOYSA-N 0 0 433.917 2.449 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 ZINC000012551557 525035058 /nfs/dbraw/zinc/03/50/58/525035058.db2.gz HOMKLRUZONHBNF-UHFFFAOYSA-N 0 0 444.488 2.167 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000022732958 525037142 /nfs/dbraw/zinc/03/71/42/525037142.db2.gz AXXJJMUOWCLYJV-UHFFFAOYSA-N 0 0 437.949 2.085 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1F ZINC000012443487 525038672 /nfs/dbraw/zinc/03/86/72/525038672.db2.gz GVWQNVFBDOFSJS-UHFFFAOYSA-N 0 0 429.477 2.197 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000012697119 525038830 /nfs/dbraw/zinc/03/88/30/525038830.db2.gz VELMFSOGJNVARG-MOPGFXCFSA-N 0 0 445.585 2.310 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c(C)c1C ZINC000021774134 525039293 /nfs/dbraw/zinc/03/92/93/525039293.db2.gz HRBZTFHBLZZNQX-UHFFFAOYSA-N 0 0 442.545 2.107 50 0 IEAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cc1F ZINC000035452829 525045531 /nfs/dbraw/zinc/04/55/31/525045531.db2.gz VVIGQJXHYAUDHI-CYBMUJFWSA-N 0 0 435.477 2.421 50 0 IEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)C[C@@H](C)O1 ZINC000012789106 525051864 /nfs/dbraw/zinc/05/18/64/525051864.db2.gz WBSIILCOPKVMBO-STXHMFSFSA-N 0 0 444.509 2.205 50 0 IEAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)C[C@@H](C)O1 ZINC000013145812 525053122 /nfs/dbraw/zinc/05/31/22/525053122.db2.gz BUPCBRFEJCHJPT-GPMSIDNRSA-N 0 0 435.546 2.110 50 0 IEAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@@]3(C)NC(=O)NC3=O)cc2NC1=O ZINC000012783819 525063671 /nfs/dbraw/zinc/06/36/71/525063671.db2.gz QIEDCMZRCZIUPE-WSVYEEACSA-N 0 0 440.481 2.349 50 0 IEAARN CS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCCOc3cccnc3)c2)CC1 ZINC000014979229 525165149 /nfs/dbraw/zinc/16/51/49/525165149.db2.gz YKIDRAZGTBISTP-UHFFFAOYSA-N 0 0 433.530 2.083 50 0 IEAARN C[C@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(F)c1 ZINC000015680125 525200028 /nfs/dbraw/zinc/20/00/28/525200028.db2.gz BDPFWQPDLGQWNO-HXUWFJFHSA-N 0 0 425.526 2.032 50 0 IEAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)C1 ZINC000035344057 525201848 /nfs/dbraw/zinc/20/18/48/525201848.db2.gz DPBSGVPVEAJXGW-RTBURBONSA-N 0 0 426.561 2.076 50 0 IEAARN CS(=O)(=O)Nc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000022323902 525223250 /nfs/dbraw/zinc/22/32/50/525223250.db2.gz AZHORAPVDXUSRZ-UHFFFAOYSA-N 0 0 447.542 2.128 50 0 IEAARN Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000012566522 525230098 /nfs/dbraw/zinc/23/00/98/525230098.db2.gz UPRRSMKJMASCDX-UHFFFAOYSA-N 0 0 427.482 2.110 50 0 IEAARN Cc1ccccc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000009665591 525241035 /nfs/dbraw/zinc/24/10/35/525241035.db2.gz SWSSLGSBKJHTJJ-UHFFFAOYSA-N 0 0 432.498 2.120 50 0 IEAARN COc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)NC2CC2)c(OC)c1 ZINC000036060890 525257271 /nfs/dbraw/zinc/25/72/71/525257271.db2.gz YACUADBHESGMOW-PMACEKPBSA-N 0 0 430.526 2.387 50 0 IEAARN Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 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ZINC000034739443 555891643 /nfs/dbraw/zinc/89/16/43/555891643.db2.gz NFYRIWCMCDMVAJ-DLBZAZTESA-N 0 0 434.917 2.371 50 0 IEAARN CCCN(CCC)C(=O)CN1CC2=C(C1=O)[C@H](c1cccc(OC)c1OC)NC(=O)N2C ZINC000034792721 555916632 /nfs/dbraw/zinc/91/66/32/555916632.db2.gz VASNWZSVZBRISY-FQEVSTJZSA-N 0 0 444.532 2.145 50 0 IEAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NCC1CCCCC1 ZINC000034892430 555927265 /nfs/dbraw/zinc/92/72/65/555927265.db2.gz BLFGSDSVCAUWLV-MRXNPFEDSA-N 0 0 440.635 2.195 50 0 IEAARN COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000003462510 555935599 /nfs/dbraw/zinc/93/55/99/555935599.db2.gz UKPXFRFJPDXNIE-UHFFFAOYSA-N 0 0 426.922 2.337 50 0 IEAARN CC(=O)O[C@@H]1CC[C@]2(C=O)[C@@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000003978250 555951859 /nfs/dbraw/zinc/95/18/59/555951859.db2.gz JLZAERUVCODZQO-WQYVBRRRSA-N 0 0 446.540 2.469 50 0 IEAARN COC(=O)c1ccc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000004112400 555963454 /nfs/dbraw/zinc/96/34/54/555963454.db2.gz CZCYWGTVNNUEQB-XWQURZDVSA-N 0 0 434.485 2.416 50 0 IEAARN COC(=O)c1ccc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000004112403 555963529 /nfs/dbraw/zinc/96/35/29/555963529.db2.gz CZCYWGTVNNUEQB-KCESLBEFSA-N 0 0 434.485 2.416 50 0 IEAARN O=C(C1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1)N1CCCCCC1 ZINC000004721213 556007887 /nfs/dbraw/zinc/00/78/87/556007887.db2.gz BCKYAOYCTZUTAC-GOSISDBHSA-N 0 0 427.501 2.162 50 0 IEAARN O=C(COC(=O)c1sccc1S(=O)(=O)NC1CC1)NCCSc1ccccc1 ZINC000010566864 556069627 /nfs/dbraw/zinc/06/96/27/556069627.db2.gz QKZZCGGSFCNJAJ-UHFFFAOYSA-N 0 0 440.568 2.254 50 0 IEAARN C[C@@H](OC(=O)c1sccc1S(=O)(=O)NC1CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010563953 556070468 /nfs/dbraw/zinc/07/04/68/556070468.db2.gz PPXPMWUYAKHDJQ-SNVBAGLBSA-N 0 0 438.483 2.102 50 0 IEAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4sccc4C)sc3nc2=O)cc1OC ZINC000002263072 556071017 /nfs/dbraw/zinc/07/10/17/556071017.db2.gz HFMJRJALKCWEHD-YVLHZVERSA-N 0 0 427.507 2.037 50 0 IEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000006353774 556085599 /nfs/dbraw/zinc/08/55/99/556085599.db2.gz HFCDECRDNSLFHO-JKALPCAWSA-N 0 0 435.505 2.202 50 0 IEAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1ccc3c(c1)OCCO3)c2=O ZINC000002712235 556125339 /nfs/dbraw/zinc/12/53/39/556125339.db2.gz KVEPYTKVDODYMS-UHFFFAOYSA-N 0 0 438.436 2.353 50 0 IEAARN Cc1cc(=O)oc2cc(NC(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)ccc12 ZINC000002730858 556134213 /nfs/dbraw/zinc/13/42/13/556134213.db2.gz MTUSZIYOKZEUKL-UHFFFAOYSA-N 0 0 447.538 2.108 50 0 IEAARN O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000010594622 556149655 /nfs/dbraw/zinc/14/96/55/556149655.db2.gz RWYDRBUQEAMIQO-UHFFFAOYSA-N 0 0 430.234 2.182 50 0 IEAARN CCOC(=O)N[C@@](Nc1c(C)n(C)n(-c2ccccc2)c1=O)(C(=O)OCC)C(F)(F)F ZINC000008445395 556179637 /nfs/dbraw/zinc/17/96/37/556179637.db2.gz LHWPVJUBWUGDIE-SFHVURJKSA-N 0 0 444.410 2.464 50 0 IEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1 ZINC000008636650 556194385 /nfs/dbraw/zinc/19/43/85/556194385.db2.gz VUBKTYPGNIZHBA-BUDOKORBSA-N 0 0 434.473 2.137 50 0 IEAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c1 ZINC000008666775 556197940 /nfs/dbraw/zinc/19/79/40/556197940.db2.gz CAODQIWAYJVCHS-UHFFFAOYSA-N 0 0 432.542 2.463 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000008671542 556198543 /nfs/dbraw/zinc/19/85/43/556198543.db2.gz HKDZERAWIUGWCO-UHFFFAOYSA-N 0 0 432.542 2.463 50 0 biogenic IEAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008714853 556201753 /nfs/dbraw/zinc/20/17/53/556201753.db2.gz XDQOBOPBWRQFAP-UHFFFAOYSA-N 0 0 429.292 2.197 50 0 IEAARN COCCNS(=O)(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000008754186 556210673 /nfs/dbraw/zinc/21/06/73/556210673.db2.gz JDQGUFACEIXSOW-UHFFFAOYSA-N 0 0 426.560 2.362 50 0 IEAARN Cn1c2[nH]c(N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)nc2c(=O)n(C)c1=O ZINC000008775077 556213872 /nfs/dbraw/zinc/21/38/72/556213872.db2.gz JIJOVNXZUKDNKH-UHFFFAOYSA-N 0 0 445.523 2.113 50 0 IEAARN COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000008927489 556234798 /nfs/dbraw/zinc/23/47/98/556234798.db2.gz NZWUDJDNVWZRSH-HNNXBMFYSA-N 0 0 430.844 2.268 50 0 IEAARN O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009288618 556273146 /nfs/dbraw/zinc/27/31/46/556273146.db2.gz YJMUAZTYZGAGSG-VQIMIIECSA-N 0 0 443.525 2.136 50 0 IEAARN O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009288614 556273226 /nfs/dbraw/zinc/27/32/26/556273226.db2.gz YJMUAZTYZGAGSG-APWZRJJASA-N 0 0 443.525 2.136 50 0 IEAARN COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)cc21 ZINC000013689270 556278637 /nfs/dbraw/zinc/27/86/37/556278637.db2.gz SGUQYEVQVBAVER-UHFFFAOYSA-N 0 0 436.512 2.259 50 0 IEAARN Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000013690885 556280422 /nfs/dbraw/zinc/28/04/22/556280422.db2.gz ZCLGBHMYDCENQL-IBGZPJMESA-N 0 0 428.514 2.212 50 0 IEAARN O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013691210 556280616 /nfs/dbraw/zinc/28/06/16/556280616.db2.gz CBSQCSCNHXBCNC-NRFANRHFSA-N 0 0 440.565 2.360 50 0 IEAARN COc1ccc([C@@H]2CN(C(=O)c3cccs3)C[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000097637816 556283990 /nfs/dbraw/zinc/28/39/90/556283990.db2.gz YXFXIYWAMMMMIL-ROUUACIJSA-N 0 0 430.526 2.480 50 0 IEAARN COc1ccc([C@@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000097637818 556283995 /nfs/dbraw/zinc/28/39/95/556283995.db2.gz YXFXIYWAMMMMIL-ZWKOTPCHSA-N 0 0 430.526 2.480 50 0 IEAARN COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1=O ZINC000009426558 556290228 /nfs/dbraw/zinc/29/02/28/556290228.db2.gz ASWAUTKFGGEBME-DLBZAZTESA-N 0 0 437.562 2.073 50 0 IEAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)C1=O ZINC000013723303 556291621 /nfs/dbraw/zinc/29/16/21/556291621.db2.gz KILXUDKBRRYTGL-UHFFFAOYSA-N 0 0 436.555 2.300 50 0 IEAARN COc1cc2cc(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC ZINC000013726605 556293085 /nfs/dbraw/zinc/29/30/85/556293085.db2.gz RIAFYSQWANWTPU-UHFFFAOYSA-N 0 0 436.512 2.259 50 0 IEAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009497737 556295039 /nfs/dbraw/zinc/29/50/39/556295039.db2.gz WNINUVJXICCPMZ-UHFFFAOYSA-N 0 0 447.542 2.255 50 0 IEAARN COC(=O)c1nn(C(C)(C)CC(C)=O)c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(O)c12 ZINC000013785773 556308813 /nfs/dbraw/zinc/30/88/13/556308813.db2.gz CEAKHTKIMZBGSD-HIFRSBDPSA-N 0 0 440.283 2.454 50 0 IEAARN COc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)NC4CCCC4)cc3oc2=O)c1 ZINC000009830634 556311373 /nfs/dbraw/zinc/31/13/73/556311373.db2.gz UNIPLGDLYGRVEU-UHFFFAOYSA-N 0 0 445.497 2.463 50 0 IEAARN COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009838071 556312627 /nfs/dbraw/zinc/31/26/27/556312627.db2.gz WOAHSOIEPPPUII-HNNXBMFYSA-N 0 0 446.554 2.417 50 0 IEAARN COCCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000009845884 556313153 /nfs/dbraw/zinc/31/31/53/556313153.db2.gz KITBEXHYQRBYRW-UHFFFAOYSA-N 0 0 441.347 2.403 50 0 IEAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000032753077 556314169 /nfs/dbraw/zinc/31/41/69/556314169.db2.gz YWWOSYYNIJHAKT-UXHICEINSA-N 0 0 441.528 2.412 50 0 IEAARN CCOC(=O)c1ccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 ZINC000013816754 556314409 /nfs/dbraw/zinc/31/44/09/556314409.db2.gz BGBUYRSJSHGMGC-UHFFFAOYSA-N 0 0 425.489 2.271 50 0 IEAARN COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000009934315 556318263 /nfs/dbraw/zinc/31/82/63/556318263.db2.gz AKMPRCGQRXDSCF-SFHVURJKSA-N 0 0 425.441 2.286 50 0 IEAARN COc1ccc(-c2nc(CC(=O)NCc3cccc(NS(N)(=O)=O)c3)cs2)cc1 ZINC000032754060 556323164 /nfs/dbraw/zinc/32/31/64/556323164.db2.gz WZGBTZPREODXGH-UHFFFAOYSA-N 0 0 432.527 2.293 50 0 IEAARN COc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2=O)c1 ZINC000032755448 556324726 /nfs/dbraw/zinc/32/47/26/556324726.db2.gz CMFGOXRSUVBKRZ-OAHLLOKOSA-N 0 0 429.498 2.227 50 0 IEAARN Cc1csc(CC(=O)N2CCN(Cc3nc(N)nc(Nc4ccccc4C)n3)CC2)n1 ZINC000032764780 556332219 /nfs/dbraw/zinc/33/22/19/556332219.db2.gz DOYBVRGHZRJJFO-UHFFFAOYSA-N 0 0 438.561 2.158 50 0 IEAARN CS(=O)(=O)N1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000032771042 556334824 /nfs/dbraw/zinc/33/48/24/556334824.db2.gz XTIQLIHIUSDNPH-UHFFFAOYSA-N 0 0 425.514 2.088 50 0 IEAARN CS(=O)(=O)N1CCC(NC(=O)c2cc(Br)c(Br)s2)CC1 ZINC000032771003 556334896 /nfs/dbraw/zinc/33/48/96/556334896.db2.gz RBFHHWZEKDBEJZ-UHFFFAOYSA-N 0 0 446.186 2.427 50 0 IEAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O)(C3)C2 ZINC000032776031 556336998 /nfs/dbraw/zinc/33/69/98/556336998.db2.gz ZJNFQBCJGFGPSD-XOJLIULCSA-N 0 0 433.530 2.192 50 0 IEAARN COCCS(=O)(=O)c1ncc(CN(CCO)Cc2ccccc2)n1Cc1ccccc1 ZINC000011663995 556344870 /nfs/dbraw/zinc/34/48/70/556344870.db2.gz JLAPJNMIAWOWRH-UHFFFAOYSA-N 0 0 443.569 2.346 50 0 IEAARN CN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 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LNISBURMTZNHLT-UHFFFAOYSA-N 0 0 440.569 2.384 50 0 IEAARN Cc1nc(SCC(=O)c2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525476 557222220 /nfs/dbraw/zinc/22/22/20/557222220.db2.gz MGOQHCKJMGBSRN-UHFFFAOYSA-N 0 0 442.497 2.158 50 0 IEAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000025703256 557222678 /nfs/dbraw/zinc/22/26/78/557222678.db2.gz GUMGXEKRABNBHL-JOCHJYFZSA-N 0 0 449.532 2.478 50 0 IEAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3ccccn3)c12 ZINC000025705794 557222701 /nfs/dbraw/zinc/22/27/01/557222701.db2.gz CLEZATYOOMPQDX-MRXNPFEDSA-N 0 0 425.514 2.302 50 0 IEAARN CN(C)S(=O)(=O)N1CCN(C(=O)CSC(c2ccccc2)c2ccccc2)CC1 ZINC000025738145 557223829 /nfs/dbraw/zinc/22/38/29/557223829.db2.gz ZKJQQEAJAQYMQC-UHFFFAOYSA-N 0 0 433.599 2.460 50 0 IEAARN COc1ccc(C(=O)Oc2cccc3cccnc32)cc1S(=O)(=O)N1CCOCC1 ZINC000000806196 557230027 /nfs/dbraw/zinc/23/00/27/557230027.db2.gz ZWVXCARJWQKEEI-UHFFFAOYSA-N 0 0 428.466 2.484 50 0 IEAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc(C)cs2)c1 ZINC000024924496 557230369 /nfs/dbraw/zinc/23/03/69/557230369.db2.gz ABVGYBLVHYZOLQ-UHFFFAOYSA-N 0 0 434.337 2.391 50 0 IEAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000011666159 557231938 /nfs/dbraw/zinc/23/19/38/557231938.db2.gz NBGHQWAPDSMPRB-UHFFFAOYSA-N 0 0 433.512 2.150 50 0 IEAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N1CCOCC1 ZINC000023321569 557232990 /nfs/dbraw/zinc/23/29/90/557232990.db2.gz LGSHXXPFRDMUSY-UHFFFAOYSA-N 0 0 429.498 2.153 50 0 IEAARN CNC(=O)c1ccc(CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C2CC2)cc1 ZINC000026116636 557234942 /nfs/dbraw/zinc/23/49/42/557234942.db2.gz HLXRVPSBUMJWHB-IQMFZBJNSA-N 0 0 426.517 2.038 50 0 IEAARN CCOC(=O)[C@H]1CSCCN1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000026134228 557236153 /nfs/dbraw/zinc/23/61/53/557236153.db2.gz JZEDUHQAJFCLMD-LJQANCHMSA-N 0 0 439.537 2.420 50 0 IEAARN CCOC(=O)[C@@H]1CSCCN1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000026134221 557236183 /nfs/dbraw/zinc/23/61/83/557236183.db2.gz JZEDUHQAJFCLMD-IBGZPJMESA-N 0 0 439.537 2.420 50 0 IEAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccccc5F)CC4)C3)ncn2)n1 ZINC000390826106 557236258 /nfs/dbraw/zinc/23/62/58/557236258.db2.gz BURRFDSCAOSPJQ-UHFFFAOYSA-N 0 0 435.507 2.203 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)cc1 ZINC000026366039 557239708 /nfs/dbraw/zinc/23/97/08/557239708.db2.gz QOXGWYBPDWNPGA-LJQANCHMSA-N 0 0 425.595 2.194 50 0 IEAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1 ZINC000583649355 557240394 /nfs/dbraw/zinc/24/03/94/557240394.db2.gz LKDCIYZKJATHJP-QFIPXVFZSA-N 0 0 449.511 2.185 50 0 IEAARN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ncccn2)CC1 ZINC000026537622 557243818 /nfs/dbraw/zinc/24/38/18/557243818.db2.gz FAUSQSDELKQXCB-QGZVFWFLSA-N 0 0 446.349 2.342 50 0 IEAARN C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 ZINC000018159631 557243873 /nfs/dbraw/zinc/24/38/73/557243873.db2.gz DQXCQWDDRSVSST-MRXNPFEDSA-N 0 0 432.484 2.001 50 0 IEAARN COc1ccccc1N1C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O ZINC000026538789 557244163 /nfs/dbraw/zinc/24/41/63/557244163.db2.gz VETVNOBRCHUTMG-SFHVURJKSA-N 0 0 437.496 2.121 50 0 IEAARN CCS(=O)(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000100180526 557246286 /nfs/dbraw/zinc/24/62/86/557246286.db2.gz RQOSPYKHBWRVGZ-FQEVSTJZSA-N 0 0 445.516 2.073 50 0 IEAARN O=C(CN1CCCc2cc(F)cc(F)c21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000026726327 557247105 /nfs/dbraw/zinc/24/71/05/557247105.db2.gz LYQCQLXENAGTTN-UHFFFAOYSA-N 0 0 449.523 2.392 50 0 IEAARN Cn1cnc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000604404348 557247201 /nfs/dbraw/zinc/24/72/01/557247201.db2.gz FJUWRWROLLSWKV-NRFANRHFSA-N 0 0 430.468 2.027 50 0 biogenic IEAARN O=C(CN1c2ccccc2OCCC1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000026766101 557247850 /nfs/dbraw/zinc/24/78/50/557247850.db2.gz UIJKQPXHZUUVNH-UHFFFAOYSA-N 0 0 429.498 2.225 50 0 IEAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(OC)cc2)c3=O)cc1 ZINC000026779354 557248506 /nfs/dbraw/zinc/24/85/06/557248506.db2.gz HKFZOCVFFBTIIM-XSFVSMFZSA-N 0 0 435.505 2.447 50 0 IEAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cnn(C)c3)[C@H]21 ZINC000604418509 557250400 /nfs/dbraw/zinc/25/04/00/557250400.db2.gz HYKXMRBNHYDCSO-NRFANRHFSA-N 0 0 447.451 2.191 50 0 IEAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1=O ZINC000018230844 557253395 /nfs/dbraw/zinc/25/33/95/557253395.db2.gz IOTLYDROSTYYJS-FQEVSTJZSA-N 0 0 428.832 2.136 50 0 IEAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Br)cc1F ZINC000018230450 557253435 /nfs/dbraw/zinc/25/34/35/557253435.db2.gz SKOWIZWQUPWAAK-UHFFFAOYSA-N 0 0 446.298 2.200 50 0 IEAARN COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1 ZINC000018275516 557255012 /nfs/dbraw/zinc/25/50/12/557255012.db2.gz MRCPJVBJCSEOCL-OAHLLOKOSA-N 0 0 433.468 2.477 50 0 IEAARN CNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000018286313 557255855 /nfs/dbraw/zinc/25/58/55/557255855.db2.gz CBVVZJDSCWMPLE-UHFFFAOYSA-N 0 0 438.267 2.265 50 0 IEAARN CNC(=S)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100578021 557265299 /nfs/dbraw/zinc/26/52/99/557265299.db2.gz MVWCUYWXWIKQLY-MRXNPFEDSA-N 0 0 427.482 2.062 50 0 IEAARN COc1cccc(/C=C/C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012972771 557265383 /nfs/dbraw/zinc/26/53/83/557265383.db2.gz LAEJBDYOIPYHIC-CFGKVWFZSA-N 0 0 443.521 2.468 50 0 IEAARN COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(OC)c1 ZINC000000822818 557268598 /nfs/dbraw/zinc/26/85/98/557268598.db2.gz SUALZYVDSIGTIG-ROUUACIJSA-N 0 0 431.448 2.180 50 0 IEAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 ZINC000027663095 557269196 /nfs/dbraw/zinc/26/91/96/557269196.db2.gz ASCYGYFZSUOLDI-CQSZACIVSA-N 0 0 448.566 2.480 50 0 IEAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1 ZINC000027663101 557269231 /nfs/dbraw/zinc/26/92/31/557269231.db2.gz UMVCRZCBRDBTAN-AWEZNQCLSA-N 0 0 448.566 2.480 50 0 IEAARN COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000101125525 557283441 /nfs/dbraw/zinc/28/34/41/557283441.db2.gz NXNLWODQOWHXJP-QGZVFWFLSA-N 0 0 428.466 2.486 50 0 IEAARN COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O ZINC000101412904 557284408 /nfs/dbraw/zinc/28/44/08/557284408.db2.gz AMKJDQDFZJLNST-QGZVFWFLSA-N 0 0 428.441 2.410 50 0 IEAARN COc1ccc(-c2noc(CN3CCN(Cn4c5ccccc5n(C)c4=O)CC3)n2)cc1 ZINC000084314581 557284428 /nfs/dbraw/zinc/28/44/28/557284428.db2.gz NBSPWUXOMYHSMV-UHFFFAOYSA-N 0 0 434.500 2.174 50 0 IEAARN Cc1ccc(S(=O)(=O)c2cnn3c2ncc(S(=O)(=O)c2ccc(C)cc2)c3N)cc1 ZINC000101411533 557284437 /nfs/dbraw/zinc/28/44/37/557284437.db2.gz NOCXSPSWGRZURG-UHFFFAOYSA-N 0 0 442.522 2.424 50 0 IEAARN CC(=O)c1cccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCOCC3)CC2)c1 ZINC000101615775 557291709 /nfs/dbraw/zinc/29/17/09/557291709.db2.gz WLXDLCLCCNJOBN-UHFFFAOYSA-N 0 0 439.512 2.179 50 0 IEAARN COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)c1 ZINC000011665790 557292248 /nfs/dbraw/zinc/29/22/48/557292248.db2.gz SWXXMAUOZRMITM-UHFFFAOYSA-N 0 0 429.484 2.490 50 0 IEAARN O=C1N[C@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=C[NH2+][C@@H]2C=CC=C[C@H]12 ZINC000101675979 557293381 /nfs/dbraw/zinc/29/33/81/557293381.db2.gz OYISWBUZQIPFQV-XNJGSVPQSA-N 0 0 440.813 2.340 50 0 IEAARN Cc1nn(C)c(C)c1CCNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101701257 557293906 /nfs/dbraw/zinc/29/39/06/557293906.db2.gz PDGSBMAAQKZVDI-UHFFFAOYSA-N 0 0 427.936 2.268 50 0 IEAARN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Br)cc2)cc1 ZINC000101797681 557295744 /nfs/dbraw/zinc/29/57/44/557295744.db2.gz SZILRFRNINFUAK-ARFHVFGLSA-N 0 0 431.242 2.370 50 0 IEAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000101966000 557306337 /nfs/dbraw/zinc/30/63/37/557306337.db2.gz AEJWJRQBYCYZKJ-IYBDPMFKSA-N 0 0 440.525 2.413 50 0 IEAARN COC(=O)c1ccc(CSc2nnc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)s2)cc1 ZINC000014120299 557307698 /nfs/dbraw/zinc/30/76/98/557307698.db2.gz FXNBJUVKQFOJSD-CYBMUJFWSA-N 0 0 435.531 2.346 50 0 IEAARN O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000102127792 557312965 /nfs/dbraw/zinc/31/29/65/557312965.db2.gz MMLKUSKVAZXDFK-STQMWFEESA-N 0 0 438.383 2.055 50 0 IEAARN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(Br)o1)C(=O)NCCN1CCOCC1 ZINC000032925713 557318153 /nfs/dbraw/zinc/31/81/53/557318153.db2.gz MWSDDIOKJFYMEE-FQUZHUSPSA-N 0 0 442.354 2.035 50 0 IEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NC3CCCC3)CC1)O[C@@H](C)C(=O)N2 ZINC000032958880 557319136 /nfs/dbraw/zinc/31/91/36/557319136.db2.gz PLJBBNWWRJUGBG-AWEZNQCLSA-N 0 0 435.546 2.174 50 0 IEAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1 ZINC000033021357 557321370 /nfs/dbraw/zinc/32/13/70/557321370.db2.gz OOTCXDZQHFSYPB-OAHLLOKOSA-N 0 0 429.498 2.365 50 0 IEAARN Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1nccs1 ZINC000102439848 557322947 /nfs/dbraw/zinc/32/29/47/557322947.db2.gz HMDPTVAYSHGQSZ-GJZGRUSLSA-N 0 0 427.482 2.228 50 0 IEAARN CN(C)c1ccc(-c2noc(C(=O)NCCN3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000033129071 557324950 /nfs/dbraw/zinc/32/49/50/557324950.db2.gz XQZKVYQWSDWVKU-UHFFFAOYSA-N 0 0 438.507 2.494 50 0 IEAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000102442900 557325821 /nfs/dbraw/zinc/32/58/21/557325821.db2.gz AGSOMMRZLKRBBT-UHFFFAOYSA-N 0 0 439.522 2.106 50 0 IEAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000024545578 557327132 /nfs/dbraw/zinc/32/71/32/557327132.db2.gz DDGXSBIQFDRKNQ-UHFFFAOYSA-N 0 0 442.541 2.050 50 0 IEAARN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000072308517 557328526 /nfs/dbraw/zinc/32/85/26/557328526.db2.gz AXSYRFNOBIPROF-INIZCTEOSA-N 0 0 439.541 2.031 50 0 IEAARN CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000014252310 557330483 /nfs/dbraw/zinc/33/04/83/557330483.db2.gz LJNFLCZEEYDWEM-GAJHUEQPSA-N 0 0 426.469 2.227 50 0 IEAARN O=C(Cn1nc2c3sc(N4CCCCC4)nc3ncn2c1=O)Nc1cc(F)cc(F)c1 ZINC000033309329 557333755 /nfs/dbraw/zinc/33/37/55/557333755.db2.gz JODFEDWIWQWQRL-UHFFFAOYSA-N 0 0 445.455 2.408 50 0 IEAARN CC(C)c1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 ZINC000014372313 557336710 /nfs/dbraw/zinc/33/67/10/557336710.db2.gz IJCCUGGYOXUXEY-UHFFFAOYSA-N 0 0 448.570 2.435 50 0 IEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000023335122 557349922 /nfs/dbraw/zinc/34/99/22/557349922.db2.gz SZSCGRWGNXYKDC-UHFFFAOYSA-N 0 0 440.479 2.030 50 0 IEAARN COc1ccc(CCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1OC ZINC000011679727 557352519 /nfs/dbraw/zinc/35/25/19/557352519.db2.gz YBINROHWFHZANQ-UHFFFAOYSA-N 0 0 429.469 2.310 50 0 IEAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000102591616 557356938 /nfs/dbraw/zinc/35/69/38/557356938.db2.gz HWEUCZNYQNZZBK-IYBDPMFKSA-N 0 0 442.468 2.385 50 0 IEAARN 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557718067 /nfs/dbraw/zinc/71/80/67/557718067.db2.gz OTTABCPRBYXCTL-INIZCTEOSA-N 0 0 431.562 2.133 50 0 IEAARN CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc3cncc(Br)c32)CC1 ZINC000225393440 557718156 /nfs/dbraw/zinc/71/81/56/557718156.db2.gz SVPARZJSNGDCRX-CQSZACIVSA-N 0 0 428.352 2.075 50 0 IEAARN CN1C(=O)C[C@H](NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000225402787 557718811 /nfs/dbraw/zinc/71/88/11/557718811.db2.gz GMIIKJXLKADGCD-RXVVDRJESA-N 0 0 448.539 2.157 50 0 IEAARN Cn1cc(C(=O)NCC2CCN(Cc3nc4ccccn4c3Br)CC2)cn1 ZINC000225420454 557721233 /nfs/dbraw/zinc/72/12/33/557721233.db2.gz CSEGVLXQOALWAL-UHFFFAOYSA-N 0 0 431.338 2.472 50 0 IEAARN COc1cc(I)c(Cl)cc1CNC(=O)[C@@H](C)S(C)(=O)=O ZINC000225467857 557726294 /nfs/dbraw/zinc/72/62/94/557726294.db2.gz MEVZEUVWQXEJQU-SSDOTTSWSA-N 0 0 431.679 2.003 50 0 IEAARN COc1cc(I)c(Cl)cc1CNC(=O)[C@H](C)S(C)(=O)=O ZINC000225467825 557726319 /nfs/dbraw/zinc/72/63/19/557726319.db2.gz MEVZEUVWQXEJQU-ZETCQYMHSA-N 0 0 431.679 2.003 50 0 IEAARN 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IEAARN CSc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000015680117 568805893 /nfs/dbraw/zinc/80/58/93/568805893.db2.gz FICUFWBCKKWVRD-HXUWFJFHSA-N 0 0 439.603 2.224 50 0 IEAARN CSc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000015680116 568805900 /nfs/dbraw/zinc/80/59/00/568805900.db2.gz FICUFWBCKKWVRD-FQEVSTJZSA-N 0 0 439.603 2.224 50 0 IEAARN COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c1OC ZINC000015680904 568806231 /nfs/dbraw/zinc/80/62/31/568806231.db2.gz RVKARLSSRACJKY-GOSISDBHSA-N 0 0 439.578 2.009 50 0 IEAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000015727675 568812614 /nfs/dbraw/zinc/81/26/14/568812614.db2.gz AMFKJTNHVCKZHI-UHFFFAOYSA-N 0 0 425.464 2.469 50 0 IEAARN COc1ccc(OC)c(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)c1 ZINC000001451325 568818622 /nfs/dbraw/zinc/81/86/22/568818622.db2.gz WAXWUJVGSXPUGF-WQRHYEAKSA-N 0 0 441.896 2.320 50 0 IEAARN COc1cccc(CNC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c1 ZINC000015770705 568822312 /nfs/dbraw/zinc/82/23/12/568822312.db2.gz QEROBQMMZVKRFC-UHFFFAOYSA-N 0 0 437.949 2.418 50 0 IEAARN Cc1cccc(CN2CCCN(CC(=O)N3CCOc4ccc(C)cc43)S2(=O)=O)c1 ZINC000015770663 568822355 /nfs/dbraw/zinc/82/23/55/568822355.db2.gz BQRYEVHYJSILLS-UHFFFAOYSA-N 0 0 429.542 2.482 50 0 IEAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000015773908 568823133 /nfs/dbraw/zinc/82/31/33/568823133.db2.gz BKDHZZLVLXXBLH-QFIPXVFZSA-N 0 0 449.532 2.264 50 0 IEAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)NC3CCCCC3)CC1)n2C ZINC000015774939 568823301 /nfs/dbraw/zinc/82/33/01/568823301.db2.gz DHXMJSDOFZHRGJ-UHFFFAOYSA-N 0 0 426.565 2.435 50 0 IEAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000015781490 568825794 /nfs/dbraw/zinc/82/57/94/568825794.db2.gz MWDZLGBPHPDJJZ-UHFFFAOYSA-N 0 0 438.527 2.361 50 0 IEAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc6c(c5)OCO6)c(=O)n4ccn3n2)cc1 ZINC000085643114 568829386 /nfs/dbraw/zinc/82/93/86/568829386.db2.gz NAPPOQJGZKOUQR-UHFFFAOYSA-N 0 0 442.435 2.487 50 0 IEAARN CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)CC(=O)Nc3ccccc3F)c[nH]2)CC1 ZINC000085650866 568830937 /nfs/dbraw/zinc/83/09/37/568830937.db2.gz HKWDHVWIMXJIEQ-UHFFFAOYSA-N 0 0 436.509 2.285 50 0 IEAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(Cl)c1 ZINC000085650828 568830952 /nfs/dbraw/zinc/83/09/52/568830952.db2.gz UUAJCBJNOJHKGO-UHFFFAOYSA-N 0 0 438.937 2.472 50 0 IEAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)NCCc3ccccc3)ccc21)N1CCCC1 ZINC000085651606 568831441 /nfs/dbraw/zinc/83/14/41/568831441.db2.gz HVFBFQHRHPRRRP-UHFFFAOYSA-N 0 0 445.566 2.206 50 0 IEAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)c1 ZINC000085651854 568831657 /nfs/dbraw/zinc/83/16/57/568831657.db2.gz SFWLZLJDQGJTPG-UHFFFAOYSA-N 0 0 447.538 2.031 50 0 IEAARN O=c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000085654364 568833468 /nfs/dbraw/zinc/83/34/68/568833468.db2.gz MMWSHWJMEGJYRX-UHFFFAOYSA-N 0 0 430.917 2.397 50 0 IEAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)[C@H]1CCCCN21 ZINC000015786391 568836109 /nfs/dbraw/zinc/83/61/09/568836109.db2.gz UIMDETGRWSSSQW-LJQANCHMSA-N 0 0 448.589 2.045 50 0 IEAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)[C@@H]1CCCCN21 ZINC000015786398 568836142 /nfs/dbraw/zinc/83/61/42/568836142.db2.gz KAJFRBNMGYFERC-IBGZPJMESA-N 0 0 448.589 2.091 50 0 IEAARN COC(=O)COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)cc1OC ZINC000085874891 568837963 /nfs/dbraw/zinc/83/79/63/568837963.db2.gz CHZQNUDYMAFKJG-WIYYLYMNSA-N 0 0 440.404 2.419 50 0 biogenic IEAARN CCOc1ccc(NC(=O)COc2cc(CSc3nnnn3C)ncc2OC)cc1 ZINC000015824119 568840424 /nfs/dbraw/zinc/84/04/24/568840424.db2.gz OTPQRCMCMVAADY-UHFFFAOYSA-N 0 0 430.490 2.322 50 0 IEAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)C1=O ZINC000015858604 568846755 /nfs/dbraw/zinc/84/67/55/568846755.db2.gz QUBWDJRNAODZEV-UHFFFAOYSA-N 0 0 441.553 2.347 50 0 IEAARN CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2cccc(SC)c2)cn1C ZINC000015861106 568848053 /nfs/dbraw/zinc/84/80/53/568848053.db2.gz GDALLQOOIAOMCM-UHFFFAOYSA-N 0 0 425.532 2.183 50 0 IEAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC ZINC000015867962 568851441 /nfs/dbraw/zinc/85/14/41/568851441.db2.gz WCWAXUJSCSHFPO-AWEZNQCLSA-N 0 0 449.471 2.427 50 0 IEAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000015884057 568857921 /nfs/dbraw/zinc/85/79/21/568857921.db2.gz ZJWGBTKDLRPUNE-UHFFFAOYSA-N 0 0 429.484 2.110 50 0 IEAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000015884050 568857954 /nfs/dbraw/zinc/85/79/54/568857954.db2.gz FXIVIMTVBTWYJH-UHFFFAOYSA-N 0 0 433.447 2.321 50 0 IEAARN CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015956930 568859938 /nfs/dbraw/zinc/85/99/38/568859938.db2.gz QWZGSPOLCCGYFU-KQCWWSFOSA-N 0 0 433.508 2.335 50 0 biogenic IEAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@@H]3C=CC=NN23)cc1 ZINC000015987033 568861717 /nfs/dbraw/zinc/86/17/17/568861717.db2.gz SXAWMYQDSKGJHW-BQJUDKOJSA-N 0 0 447.422 2.348 50 0 IEAARN CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(I)c1)C2=O ZINC000016000012 568862317 /nfs/dbraw/zinc/86/23/17/568862317.db2.gz MYJJLWINESCGCY-UHFFFAOYSA-N 0 0 427.242 2.437 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 ZINC000012936636 568866024 /nfs/dbraw/zinc/86/60/24/568866024.db2.gz OGOWGVQLRGMFMK-UHFFFAOYSA-N 0 0 449.920 2.114 50 0 IEAARN Cn1nc(C(=O)O[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)c2ccccc2c1=O ZINC000012938380 568867820 /nfs/dbraw/zinc/86/78/20/568867820.db2.gz FBAHWCMPMUZJBL-GOSISDBHSA-N 0 0 437.427 2.451 50 0 IEAARN Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012942112 568870084 /nfs/dbraw/zinc/87/00/84/568870084.db2.gz IFYZHUKIIILGCE-UHFFFAOYSA-N 0 0 445.372 2.419 50 0 IEAARN COc1ccccc1N1CCN(CC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)C1=O ZINC000575607144 568878199 /nfs/dbraw/zinc/87/81/99/568878199.db2.gz APAKNGCVJGERHM-MRXNPFEDSA-N 0 0 445.907 2.451 50 0 IEAARN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575607700 568878203 /nfs/dbraw/zinc/87/82/03/568878203.db2.gz VVZUIALZTXIDGT-AWEZNQCLSA-N 0 0 437.834 2.330 50 0 IEAARN O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccccc1S(=O)(=O)C(F)F ZINC000575606006 568878216 /nfs/dbraw/zinc/87/82/16/568878216.db2.gz JAPNXDJSQNEUFJ-SECBINFHSA-N 0 0 438.378 2.329 50 0 IEAARN CCc1ncnc(O[C@H]2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)c1F ZINC000575608453 568878390 /nfs/dbraw/zinc/87/83/90/568878390.db2.gz YHMLTMNJCHQKMY-AWEZNQCLSA-N 0 0 449.433 2.378 50 0 IEAARN CCc1ncnc(O[C@H]2CCN(C(=O)CN3CCN(c4ccccc4OC)C3=O)C2)c1F ZINC000575613541 568879686 /nfs/dbraw/zinc/87/96/86/568879686.db2.gz RUGRWJOONZHYMT-HNNXBMFYSA-N 0 0 443.479 2.109 50 0 IEAARN CSCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575617671 568881955 /nfs/dbraw/zinc/88/19/55/568881955.db2.gz QHRHLRZOZDROIC-IRXDYDNUSA-N 0 0 432.995 2.286 50 0 IEAARN O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575618298 568882018 /nfs/dbraw/zinc/88/20/18/568882018.db2.gz UVGSITBEIDBPJE-SFHVURJKSA-N 0 0 435.933 2.163 50 0 IEAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC2=CCCCC2)cn1C ZINC000035478360 568882510 /nfs/dbraw/zinc/88/25/10/568882510.db2.gz DTFXATVIIQQTGY-SFHVURJKSA-N 0 0 437.562 2.362 50 0 IEAARN CS(=O)(=O)CCCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000064036039 568882552 /nfs/dbraw/zinc/88/25/52/568882552.db2.gz OKYHEFKRVGCYDK-UHFFFAOYSA-N 0 0 432.283 2.246 50 0 IEAARN C[C@H](C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1)n1nc(-c2cccs2)ccc1=O ZINC000575621634 568883173 /nfs/dbraw/zinc/88/31/73/568883173.db2.gz ZZPGPDTYGULHLS-OAHLLOKOSA-N 0 0 436.541 2.160 50 0 IEAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 ZINC000012965281 568884556 /nfs/dbraw/zinc/88/45/56/568884556.db2.gz DZQFAIKNQIZZFI-QGZVFWFLSA-N 0 0 437.408 2.084 50 0 IEAARN CC(=O)O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000035489138 568885171 /nfs/dbraw/zinc/88/51/71/568885171.db2.gz JLZAERUVCODZQO-HUDJVWMTSA-N 0 0 446.540 2.469 50 0 biogenic IEAARN O=C(NC[C@H]1CCCO1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000226948863 568885538 /nfs/dbraw/zinc/88/55/38/568885538.db2.gz DPYANTLAOFTVRG-GDBMZVCRSA-N 0 0 431.352 2.288 50 0 IEAARN O=C(Cn1cnc2ccccc2c1=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593614 568889008 /nfs/dbraw/zinc/88/90/08/568889008.db2.gz FDHOVRBZAQIXAZ-UHFFFAOYSA-N 0 0 431.408 2.133 50 0 IEAARN COc1cccc(/C=C/C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012972768 568889249 /nfs/dbraw/zinc/88/92/49/568889249.db2.gz LAEJBDYOIPYHIC-CTDFXDFQSA-N 0 0 443.521 2.468 50 0 IEAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000012974553 568890156 /nfs/dbraw/zinc/89/01/56/568890156.db2.gz CQKLVOLRGVWDSD-CYBMUJFWSA-N 0 0 434.468 2.269 50 0 IEAARN COc1ccc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1OC ZINC000090607963 568890531 /nfs/dbraw/zinc/89/05/31/568890531.db2.gz GYXVYZNNAOUSEI-UHFFFAOYSA-N 0 0 444.517 2.331 50 0 IEAARN COc1ccc(Cl)cc1NC(=O)CCCn1c(=O)[nH]c2cc3c(cc2c1=O)OCO3 ZINC000090610278 568892229 /nfs/dbraw/zinc/89/22/29/568892229.db2.gz NJFWDEFQOOBKTA-UHFFFAOYSA-N 0 0 431.832 2.499 50 0 IEAARN Cc1cc([C@H](O)CCNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)o1 ZINC000090613462 568892455 /nfs/dbraw/zinc/89/24/55/568892455.db2.gz XZCHDFASCURHPI-LJQANCHMSA-N 0 0 442.559 2.228 50 0 IEAARN O=C(Cc1noc2ccccc21)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2 ZINC000035596859 568893496 /nfs/dbraw/zinc/89/34/96/568893496.db2.gz IXRJOJVWRDXZQU-CYBMUJFWSA-N 0 0 441.513 2.248 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000036385498 568896428 /nfs/dbraw/zinc/89/64/28/568896428.db2.gz VELMFSOGJNVARG-RTBURBONSA-N 0 0 445.585 2.310 50 0 IEAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)OCCO4)CC2)c1 ZINC000012998294 568897202 /nfs/dbraw/zinc/89/72/02/568897202.db2.gz OXMDRZGCLRCWKA-UHFFFAOYSA-N 0 0 445.541 2.291 50 0 IEAARN CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000013002193 568898347 /nfs/dbraw/zinc/89/83/47/568898347.db2.gz CJMIQWIKWFHRRU-UHFFFAOYSA-N 0 0 445.788 2.195 50 0 IEAARN CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1 ZINC000013010779 568900217 /nfs/dbraw/zinc/90/02/17/568900217.db2.gz ZUBKYOJAFDWQDC-UHFFFAOYSA-N 0 0 449.460 2.477 50 0 IEAARN C[C@H](Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N1CCC[C@H](C)C1 ZINC000013018214 568901901 /nfs/dbraw/zinc/90/19/01/568901901.db2.gz FMKYRFKANZSIRP-STQMWFEESA-N 0 0 433.578 2.064 50 0 IEAARN CCc1cccc(N2C[C@H](C(=O)NCc3ccccc3S(=O)(=O)N(C)C)CC2=O)c1 ZINC000013017997 568901942 /nfs/dbraw/zinc/90/19/42/568901942.db2.gz DPDOSNZBAWQRST-GOSISDBHSA-N 0 0 429.542 2.169 50 0 IEAARN O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013020946 568902234 /nfs/dbraw/zinc/90/22/34/568902234.db2.gz CVKUPZZDLUKLLG-UHFFFAOYSA-N 0 0 435.424 2.118 50 0 IEAARN COC(=O)c1cn(-c2cccc(C3N4CC5(C)CN3CC(C)(C4)C5)c2)cc2c(=O)[nH]nc1-2 ZINC000253414641 568903371 /nfs/dbraw/zinc/90/33/71/568903371.db2.gz YBGYLXXHCMTQFP-UHFFFAOYSA-N 0 0 433.512 2.498 50 0 IEAARN 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O=C(CN1CCC[C@@H]1Cn1cnc2ccccc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000089878673 569166559 /nfs/dbraw/zinc/16/65/59/569166559.db2.gz AAQZMBVVXZQENZ-WOJBJXKFSA-N 0 0 444.601 2.459 50 0 IEAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@@H](C)CC2=O)cc1 ZINC000008931802 569167246 /nfs/dbraw/zinc/16/72/46/569167246.db2.gz VCMZKHCOBVSNPE-AWEZNQCLSA-N 0 0 430.482 2.401 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(OC)c2)CC3)cc1 ZINC000016954524 569167498 /nfs/dbraw/zinc/16/74/98/569167498.db2.gz NWURJNLOAUKITM-UHFFFAOYSA-N 0 0 446.525 2.357 50 0 IEAARN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000016975080 569168713 /nfs/dbraw/zinc/16/87/13/569168713.db2.gz JXUAIOSPJYAOAO-HNNXBMFYSA-N 0 0 428.557 2.334 50 0 IEAARN CCOC(=O)[C@]1(C)CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000089978153 569169577 /nfs/dbraw/zinc/16/95/77/569169577.db2.gz JXAYPGGQEXMVTI-IBGZPJMESA-N 0 0 436.306 2.493 50 0 IEAARN CCOc1ccccc1-n1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)c1=O ZINC000017015197 569170887 /nfs/dbraw/zinc/17/08/87/569170887.db2.gz VECJQAXMDOPELG-NRFANRHFSA-N 0 0 448.479 2.355 50 0 biogenic IEAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)cc1 ZINC000017042223 569171620 /nfs/dbraw/zinc/17/16/20/569171620.db2.gz NGIDWODAPVALLE-UHFFFAOYSA-N 0 0 448.508 2.274 50 0 IEAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)NCc1ccc(F)cc1 ZINC000017170264 569175361 /nfs/dbraw/zinc/17/53/61/569175361.db2.gz DSYRAAOOEBQIBD-UHFFFAOYSA-N 0 0 436.418 2.201 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C ZINC000000814628 569176277 /nfs/dbraw/zinc/17/62/77/569176277.db2.gz NNDRVWXZKYEBEJ-UHFFFAOYSA-N 0 0 446.525 2.449 50 0 IEAARN CCOC(=O)CNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 ZINC000002508644 569180885 /nfs/dbraw/zinc/18/08/85/569180885.db2.gz LIWHVCQWGXTMJV-UHFFFAOYSA-N 0 0 441.513 2.499 50 0 IEAARN CS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 ZINC000027162388 569182721 /nfs/dbraw/zinc/18/27/21/569182721.db2.gz CNHDBLHDGLULJM-UHFFFAOYSA-N 0 0 438.452 2.290 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1 ZINC000207999209 569183846 /nfs/dbraw/zinc/18/38/46/569183846.db2.gz MCHKPNUXLMNMGX-QGZVFWFLSA-N 0 0 442.497 2.226 50 0 IEAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(OC)OC)CC(=O)N21 ZINC000002125363 569183892 /nfs/dbraw/zinc/18/38/92/569183892.db2.gz SBCZPNDQGDKGMM-CYFREDJKSA-N 0 0 449.507 2.480 50 0 biogenic IEAARN Cn1c2nc(N3CCCCC3)n(CCSc3nc4ccccc4[nH]3)c2c(=O)[nH]c1=O ZINC000000796604 569185397 /nfs/dbraw/zinc/18/53/97/569185397.db2.gz PXVHOYWIFUXTHQ-UHFFFAOYSA-N 0 0 425.518 2.082 50 0 IEAARN CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000252509723 569188454 /nfs/dbraw/zinc/18/84/54/569188454.db2.gz YUBUUOLJIKWQOF-GMBSWORKSA-N 0 0 435.546 2.055 50 0 IEAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000252511239 569188715 /nfs/dbraw/zinc/18/87/15/569188715.db2.gz FHZXURDSISUGQD-NXHRZFHOSA-N 0 0 435.532 2.122 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ncccc3C)C2=O)cc1OC ZINC000252537245 569190014 /nfs/dbraw/zinc/19/00/14/569190014.db2.gz KTXVYUUPELHLLY-MRXNPFEDSA-N 0 0 426.473 2.493 50 0 IEAARN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C2)n(C)n1 ZINC000252538667 569190172 /nfs/dbraw/zinc/19/01/72/569190172.db2.gz NCXHTTFLTPTRBJ-AZUAARDMSA-N 0 0 445.589 2.057 50 0 IEAARN COc1cccc(S(=O)(=O)N2CCCN([C@H]3CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000252585454 569191211 /nfs/dbraw/zinc/19/12/11/569191211.db2.gz IQNLTMMZIUEWQB-QFIPXVFZSA-N 0 0 443.569 2.193 50 0 IEAARN c1nc2nc(N3CC[C@@H](Oc4ccncc4)C3)cc(N3CC[C@@H](Oc4ccncc4)C3)n2n1 ZINC000252587211 569191641 /nfs/dbraw/zinc/19/16/41/569191641.db2.gz WIYOFYBHHRWFRN-WOJBJXKFSA-N 0 0 444.499 2.230 50 0 IEAARN COc1cc(-c2noc(CCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC ZINC000002202162 569192491 /nfs/dbraw/zinc/19/24/91/569192491.db2.gz BGHJFMHLBCXUNW-UHFFFAOYSA-N 0 0 426.429 2.433 50 0 IEAARN NC(=O)CCN(C(=O)CN1CCC(C(=O)NCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000027367914 569193515 /nfs/dbraw/zinc/19/35/15/569193515.db2.gz NIHHCVVCAXEFFM-UHFFFAOYSA-N 0 0 440.519 2.063 50 0 IEAARN CCN1CCN(C(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3ccccc3F)c2=O)CC1 ZINC000037399438 569194416 /nfs/dbraw/zinc/19/44/16/569194416.db2.gz NFYYHVJBZBFVFL-UHFFFAOYSA-N 0 0 444.894 2.109 50 0 IEAARN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037578594 569201559 /nfs/dbraw/zinc/20/15/59/569201559.db2.gz AUWSDLCHYPPHKB-IAGOWNOFSA-N 0 0 425.533 2.271 50 0 IEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252669812 569209920 /nfs/dbraw/zinc/20/99/20/569209920.db2.gz ISXYLFIYDJBBNT-FQEVSTJZSA-N 0 0 435.505 2.202 50 0 IEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000252675941 569210262 /nfs/dbraw/zinc/21/02/62/569210262.db2.gz VNBOWPGVLPBERX-SFHVURJKSA-N 0 0 442.928 2.185 50 0 IEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000252677082 569210511 /nfs/dbraw/zinc/21/05/11/569210511.db2.gz YBPIBMYVAOGIRZ-FQEVSTJZSA-N 0 0 436.537 2.323 50 0 IEAARN COc1ccc(Cc2nn3c(=O)/c(=C/C4=Cc5ccccc5OC4)sc3nc2=O)cc1 ZINC000002245995 569214369 /nfs/dbraw/zinc/21/43/69/569214369.db2.gz UFYFUZKVJHVTIY-NDENLUEZSA-N 0 0 431.473 2.086 50 0 IEAARN CC(=O)OCC(=O)[C@@]1(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 ZINC000003978010 569218461 /nfs/dbraw/zinc/21/84/61/569218461.db2.gz AKUJBENLRBOFTD-YOXUAMLHSA-N 0 0 434.504 2.467 50 0 IEAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(OC(F)F)c1 ZINC000028814150 569257499 /nfs/dbraw/zinc/25/74/99/569257499.db2.gz XKXGZZSTNWRLAF-UHFFFAOYSA-N 0 0 428.413 2.267 50 0 IEAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000253402198 569264932 /nfs/dbraw/zinc/26/49/32/569264932.db2.gz GDIUWJFHSLFQCE-IBGZPJMESA-N 0 0 426.904 2.125 50 0 biogenic IEAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc3[nH]c(CO)nc3c1)C=C2 ZINC000253410105 569265721 /nfs/dbraw/zinc/26/57/21/569265721.db2.gz MWDFXXGPQKUBCH-UHFFFAOYSA-N 0 0 436.468 2.457 50 0 biogenic IEAARN CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)c1 ZINC000253410134 569265742 /nfs/dbraw/zinc/26/57/42/569265742.db2.gz MWMRVBXNWRUXSA-BVZALQNUSA-N 0 0 442.516 2.004 50 0 biogenic IEAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC(=O)N[C@H]3c3ccnn3C)C2)c1 ZINC000253418411 569266643 /nfs/dbraw/zinc/26/66/43/569266643.db2.gz KWNSTMGOIZHOTB-SFGWALBWSA-N 0 0 437.544 2.025 50 0 IEAARN NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000253420372 569266824 /nfs/dbraw/zinc/26/68/24/569266824.db2.gz UBMKVCFWLSDGHI-LRDDRELGSA-N 0 0 448.372 2.125 50 0 IEAARN CCOC(=O)[C@@H](CNC(=O)c1cn(CC2(C)COC2)nn1)C1C2CC3CC(C2)CC1C3 ZINC000253430222 569267662 /nfs/dbraw/zinc/26/76/62/569267662.db2.gz XKMKLDATQDKBER-RJFAQORQSA-N 0 0 430.549 2.296 50 0 IEAARN C[C@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000027541063 569269286 /nfs/dbraw/zinc/26/92/86/569269286.db2.gz RYTRSSFOPFZEHZ-OAHLLOKOSA-N 0 0 429.533 2.499 50 0 IEAARN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570337 569273192 /nfs/dbraw/zinc/27/31/92/569273192.db2.gz JSVPZGIPEVUKRB-JKSUJKDBSA-N 0 0 430.530 2.012 50 0 IEAARN COc1cc(/C=C/C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc(OC)c1OC ZINC000253471617 569282658 /nfs/dbraw/zinc/28/26/58/569282658.db2.gz DKBYJZCEOBAWQV-MDZDMXLPSA-N 0 0 447.513 2.043 50 0 IEAARN O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000253472374 569282856 /nfs/dbraw/zinc/28/28/56/569282856.db2.gz LXPBTSMRBGBAKO-AWEZNQCLSA-N 0 0 426.347 2.145 50 0 IEAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)c1 ZINC000253473552 569282906 /nfs/dbraw/zinc/28/29/06/569282906.db2.gz WJDQKXFDUNBORZ-IBGZPJMESA-N 0 0 437.495 2.351 50 0 IEAARN COC(=O)c1ccc(NC(=O)C[C@H]2NC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000253535662 569284186 /nfs/dbraw/zinc/28/41/86/569284186.db2.gz APRFCVCPCKLZDJ-GOSISDBHSA-N 0 0 425.441 2.178 50 0 IEAARN COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623711 569284426 /nfs/dbraw/zinc/28/44/26/569284426.db2.gz IJUOPHMXGRSFAH-LLVKDONJSA-N 0 0 429.381 2.089 50 0 biogenic IEAARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000253414841 569289125 /nfs/dbraw/zinc/28/91/25/569289125.db2.gz YUBUUOLJIKWQOF-IDHHARJASA-N 0 0 435.546 2.055 50 0 IEAARN Cn1c2nc(NC[C@@H](O)c3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000002372806 569289227 /nfs/dbraw/zinc/28/92/27/569289227.db2.gz JXFSKCCYCBSFHO-QGZVFWFLSA-N 0 0 439.903 2.281 50 0 IEAARN S=C(NCCN1CCN(C(=S)NCc2ccccc2)CC1)NCc1ccccc1 ZINC000055155481 569293577 /nfs/dbraw/zinc/29/35/77/569293577.db2.gz QRUAEGIKYXXGJW-UHFFFAOYSA-N 0 0 427.643 2.343 50 0 IEAARN COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C(=O)C(F)(F)F)cc1 ZINC000027754017 569296660 /nfs/dbraw/zinc/29/66/60/569296660.db2.gz PQRKJNKIHJNOFV-JTDSTZFVSA-N 0 0 438.358 2.371 50 0 IEAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000225414189 569299182 /nfs/dbraw/zinc/29/91/82/569299182.db2.gz HZCZWECNVWZZIB-KPFFTGBYSA-N 0 0 448.523 2.433 50 0 biogenic IEAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225421908 569299788 /nfs/dbraw/zinc/29/97/88/569299788.db2.gz PHWAKMMQCNVRPB-FGTMMUONSA-N 0 0 427.574 2.435 50 0 biogenic IEAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCc1cccc(-n2cccn2)c1 ZINC000055342116 569305545 /nfs/dbraw/zinc/30/55/45/569305545.db2.gz CSXACRNAAWYTIA-FQEVSTJZSA-N 0 0 439.466 2.157 50 0 IEAARN CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000013031573 569307479 /nfs/dbraw/zinc/30/74/79/569307479.db2.gz DWJXYIIUKUCZAZ-UHFFFAOYSA-N 0 0 439.484 2.309 50 0 IEAARN Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccco1 ZINC000013040482 569307965 /nfs/dbraw/zinc/30/79/65/569307965.db2.gz ZLYRUEXLORUWCT-UHFFFAOYSA-N 0 0 427.482 2.460 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000013062994 569308626 /nfs/dbraw/zinc/30/86/26/569308626.db2.gz JVRFKSDAGKKDRJ-UHFFFAOYSA-N 0 0 449.916 2.328 50 0 IEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)COc2ccccc2OC)c(=O)[nH]c1=O ZINC000013063326 569308639 /nfs/dbraw/zinc/30/86/39/569308639.db2.gz WILXMTBWABQXQZ-UHFFFAOYSA-N 0 0 432.521 2.386 50 0 IEAARN CC(C)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013074052 569309096 /nfs/dbraw/zinc/30/90/96/569309096.db2.gz OXHMDKXAGUZQTJ-SECBINFHSA-N 0 0 430.832 2.093 50 0 IEAARN CC[C@@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=CN2 ZINC000013363284 569314113 /nfs/dbraw/zinc/31/41/13/569314113.db2.gz SRJSJLCFLPTBHT-HNNXBMFYSA-N 0 0 443.453 2.298 50 0 IEAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(Cl)cc2)cc1 ZINC000013371346 569314897 /nfs/dbraw/zinc/31/48/97/569314897.db2.gz RRCCEDMWUMKTBD-OALUTQOASA-N 0 0 427.975 2.420 50 0 IEAARN O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000328595861 569317847 /nfs/dbraw/zinc/31/78/47/569317847.db2.gz HGFGNHJAEHIWHA-UHFFFAOYSA-N 0 0 441.465 2.396 50 0 IEAARN O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000328595761 569317873 /nfs/dbraw/zinc/31/78/73/569317873.db2.gz DRMIKMNCOOJMHE-UHFFFAOYSA-N 0 0 440.424 2.343 50 0 IEAARN CCOC(=O)C1=C(CN(CC)Cc2cnn(C)c2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000078729359 569318716 /nfs/dbraw/zinc/31/87/16/569318716.db2.gz NXVABTJGSLUSRZ-HXUWFJFHSA-N 0 0 427.505 2.122 50 0 IEAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000078729333 569318731 /nfs/dbraw/zinc/31/87/31/569318731.db2.gz MGUOZYAHSMHBGG-UHFFFAOYSA-N 0 0 437.525 2.232 50 0 IEAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000078878553 569319845 /nfs/dbraw/zinc/31/98/45/569319845.db2.gz HHNCIHAVWPPZGG-GRDNDAEWSA-N 0 0 443.541 2.302 50 0 IEAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000078902802 569320145 /nfs/dbraw/zinc/32/01/45/569320145.db2.gz 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CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCc1ccc(Cl)cc1 ZINC000020581815 521663176 /nfs/dbraw/zinc/66/31/76/521663176.db2.gz QNOPEHIINNQDJJ-UHFFFAOYSA-N 0 0 440.949 2.056 50 0 biogenic IEAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COCc1nc2ccccc2c(=O)[nH]1 ZINC000012757204 521693989 /nfs/dbraw/zinc/69/39/89/521693989.db2.gz SMPRRMYUQCYMSO-UHFFFAOYSA-N 0 0 439.497 2.177 50 0 IEAARN CCCN1C(=O)CN(S(=O)(=O)c2ccc(C)cc2)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021528578 521699067 /nfs/dbraw/zinc/69/90/67/521699067.db2.gz ORVRMDYGSHSOHW-QHCPKHFHSA-N 0 0 443.569 2.313 50 0 IEAARN CCCN1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000021529198 521699200 /nfs/dbraw/zinc/69/92/00/521699200.db2.gz XMPMFACTRJPBNH-HSZRJFAPSA-N 0 0 443.569 2.313 50 0 IEAARN CCCN1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021528897 521699240 /nfs/dbraw/zinc/69/92/40/521699240.db2.gz WDPHIXMLIAXNPR-JOCHJYFZSA-N 0 0 447.532 2.144 50 0 IEAARN CCN1CCN(c2nc(F)c(F)c(S(=O)(=O)CCN3CCC(C)CC3)c2F)CC1 ZINC000024616700 521701061 /nfs/dbraw/zinc/70/10/61/521701061.db2.gz ITJULYJDQYWCBD-UHFFFAOYSA-N 0 0 434.528 2.146 50 0 IEAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c3s2)CC1 ZINC000021886387 521701932 /nfs/dbraw/zinc/70/19/32/521701932.db2.gz OKPCCKNBCDFZMD-UHFFFAOYSA-N 0 0 432.937 2.287 50 0 IEAARN CCCN1C(=O)c2c(C(=O)NCCc3ccco3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000035427712 521702129 /nfs/dbraw/zinc/70/21/29/521702129.db2.gz IVDGSDIFKGKVAN-QHCPKHFHSA-N 0 0 441.532 2.132 50 0 IEAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)CC1CC1 ZINC000036031518 521739499 /nfs/dbraw/zinc/73/94/99/521739499.db2.gz YNZDJEXDUREDFW-UHFFFAOYSA-N 0 0 434.562 2.445 50 0 IEAARN CCNC(=O)N1CCN(c2ccc(-c3noc(C4CCN(C(C)=O)CC4)n3)cc2)CC1 ZINC000033258378 521739835 /nfs/dbraw/zinc/73/98/35/521739835.db2.gz JCDXGRVYVDZKTQ-UHFFFAOYSA-N 0 0 426.521 2.314 50 0 IEAARN COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000012554929 521750166 /nfs/dbraw/zinc/75/01/66/521750166.db2.gz 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COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C ZINC000035598102 522894338 /nfs/dbraw/zinc/89/43/38/522894338.db2.gz GHDHMHRJJXBCAR-UHFFFAOYSA-N 0 0 442.545 2.107 50 0 IEAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)Cc3cnccn3)cc2)CC1 ZINC000012027829 522943205 /nfs/dbraw/zinc/94/32/05/522943205.db2.gz VLDQYDCVPDSKLT-KRWDZBQOSA-N 0 0 426.517 2.244 50 0 IEAARN CC[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000035452216 523003690 /nfs/dbraw/zinc/00/36/90/523003690.db2.gz QGRQEKFEQRZOIN-LBPRGKRZSA-N 0 0 429.926 2.083 50 0 IEAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024660963 523084259 /nfs/dbraw/zinc/08/42/59/523084259.db2.gz ZGDKIADYCFTGDQ-JKSUJKDBSA-N 0 0 436.555 2.447 50 0 IEAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000022847272 523194775 /nfs/dbraw/zinc/19/47/75/523194775.db2.gz UEXWPSSZMILCNZ-UHFFFAOYSA-N 0 0 444.963 2.455 50 0 IEAARN CCn1c(COC(=O)c2ccccc2NCCO)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021989275 523195660 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CCOC(=O)N1CCC(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 ZINC000013722699 556290961 /nfs/dbraw/zinc/29/09/61/556290961.db2.gz DDWBOZSPHLWGES-UHFFFAOYSA-N 0 0 442.516 2.239 50 0 IEAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000013724712 556292141 /nfs/dbraw/zinc/29/21/41/556292141.db2.gz FPPTVXVKWFOIAU-GOSISDBHSA-N 0 0 433.464 2.400 50 0 IEAARN COC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]2CS[C@H]3c4ccccc4C(=O)N23)cc1 ZINC000013731210 556295698 /nfs/dbraw/zinc/29/56/98/556295698.db2.gz XMZMKLPXQKSFEU-UWJYYQICSA-N 0 0 439.493 2.188 50 0 IEAARN COc1ccc(-c2coc3cc(OCC(=O)N[C@@H]4C=CS(=O)(=O)C4)ccc3c2=O)cc1 ZINC000013730986 556295817 /nfs/dbraw/zinc/29/58/17/556295817.db2.gz POSPEMHLLKTNGP-OAHLLOKOSA-N 0 0 441.461 2.274 50 0 biogenic IEAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1Cl ZINC000009525873 556296377 /nfs/dbraw/zinc/29/63/77/556296377.db2.gz ADFQWJPZYVFSQV-OAHLLOKOSA-N 0 0 429.860 2.324 50 0 IEAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccco4)nn2c1=O)CCCC3)N1CCOCC1 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COCCN1C(=O)C[C@@](CC(=O)N(C)CC[C@H]2CCCCO2)(c2ccccc2OC)C1=O ZINC000011815579 556358380 /nfs/dbraw/zinc/35/83/80/556358380.db2.gz XJONFWMEXITOQY-KOSHJBKYSA-N 0 0 446.544 2.146 50 0 IEAARN COCCN1C(=O)C[C@@](CC(=O)N(C)CC[C@@H]2CCCCO2)(c2ccccc2OC)C1=O ZINC000011815577 556358431 /nfs/dbraw/zinc/35/84/31/556358431.db2.gz XJONFWMEXITOQY-UUOWRZLLSA-N 0 0 446.544 2.146 50 0 IEAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000014066795 556359281 /nfs/dbraw/zinc/35/92/81/556359281.db2.gz SCJGQEYCZWZIGL-UHFFFAOYSA-N 0 0 444.509 2.096 50 0 IEAARN O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000032797639 556364319 /nfs/dbraw/zinc/36/43/19/556364319.db2.gz SBMSHAPJGPWTNV-UHFFFAOYSA-N 0 0 440.490 2.462 50 0 IEAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000014095455 556367137 /nfs/dbraw/zinc/36/71/37/556367137.db2.gz NMBKFPNFLDQDSH-IBGZPJMESA-N 0 0 447.582 2.275 50 0 IEAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000014095597 556367583 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556656553 /nfs/dbraw/zinc/65/65/53/556656553.db2.gz LYUYQQGDTMSFES-UHFFFAOYSA-N 0 0 428.558 2.445 50 0 IEAARN NC(=O)C1CCN(C(=O)CCCSc2ccc(NC(=O)c3ccc(F)cc3)nn2)CC1 ZINC000011794692 556656654 /nfs/dbraw/zinc/65/66/54/556656654.db2.gz KDDPHJOXMHHDKI-UHFFFAOYSA-N 0 0 445.520 2.464 50 0 IEAARN CN(Cc1cccnc1)S(=O)(=O)c1cc(C(=O)OCCOc2ccccc2)n(C)c1 ZINC000032928574 556656805 /nfs/dbraw/zinc/65/68/05/556656805.db2.gz YAFJFYDDCLMTIF-UHFFFAOYSA-N 0 0 429.498 2.477 50 0 IEAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)CC2)cc1 ZINC000017096612 556660531 /nfs/dbraw/zinc/66/05/31/556660531.db2.gz BGXAUXXPVITUGT-UHFFFAOYSA-N 0 0 429.546 2.117 50 0 IEAARN Cn1c2c(cc(C(=O)Nc3ccc4c(c3)OCO4)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000011845081 556660871 /nfs/dbraw/zinc/66/08/71/556660871.db2.gz JHTCUWQRWMFMLG-UHFFFAOYSA-N 0 0 432.436 2.068 50 0 IEAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000017098371 556663018 /nfs/dbraw/zinc/66/30/18/556663018.db2.gz XOQCBOQFHXBEMX-UHFFFAOYSA-N 0 0 433.420 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556739295 /nfs/dbraw/zinc/73/92/95/556739295.db2.gz LZCFROLUCQWWGY-SFHVURJKSA-N 0 0 437.466 2.026 50 0 IEAARN CCCS(=O)(=O)c1ncc(CN(C)Cc2ccc3nonc3c2)n1C[C@@H]1CCCO1 ZINC000055360291 556740388 /nfs/dbraw/zinc/74/03/88/556740388.db2.gz RHXCMYDILBAMRZ-KRWDZBQOSA-N 0 0 433.534 2.414 50 0 IEAARN Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 ZINC000002366663 556743197 /nfs/dbraw/zinc/74/31/97/556743197.db2.gz WSBOWKVBMXMIDY-LFIBNONCSA-N 0 0 443.598 2.364 50 0 IEAARN Cc1ccc(-n2nc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCCCC3)c3c2CCC3)cc1 ZINC000060362652 556747468 /nfs/dbraw/zinc/74/74/68/556747468.db2.gz DKPYAJFGSATEMS-PZJWPPBQSA-N 0 0 442.585 2.051 50 0 IEAARN O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000206245009 556748994 /nfs/dbraw/zinc/74/89/94/556748994.db2.gz IZSANECBDDLVFG-FAZYEBOESA-N 0 0 436.512 2.338 50 0 IEAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCCCOCc2ccco2)c1 ZINC000058005920 556752690 /nfs/dbraw/zinc/75/26/90/556752690.db2.gz 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CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 ZINC000058156718 556762766 /nfs/dbraw/zinc/76/27/66/556762766.db2.gz TXEQHEJGVJSWGZ-KRWDZBQOSA-N 0 0 449.548 2.239 50 0 IEAARN CSc1ccc(CN(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1 ZINC000058159717 556764130 /nfs/dbraw/zinc/76/41/30/556764130.db2.gz BXYVFUAPYUDBSM-UHFFFAOYSA-N 0 0 438.553 2.214 50 0 IEAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000058176600 556769464 /nfs/dbraw/zinc/76/94/64/556769464.db2.gz QXTVZSSAHROPPA-UHFFFAOYSA-N 0 0 430.512 2.167 50 0 IEAARN CONS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1 ZINC000058227539 556774056 /nfs/dbraw/zinc/77/40/56/556774056.db2.gz AMTASCNRGMTGKC-HNNXBMFYSA-N 0 0 439.921 2.197 50 0 IEAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)no1 ZINC000058311466 556779833 /nfs/dbraw/zinc/77/98/33/556779833.db2.gz XEFLXCGJRKPZTI-AWEZNQCLSA-N 0 0 446.529 2.170 50 0 IEAARN Cc1cccc2c1ncn(CCC(=O)Nc1ccccc1CN1CCC[C@H]1C(N)=O)c2=O ZINC000058317061 556780600 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CCn1cc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21 ZINC000011472108 557152269 /nfs/dbraw/zinc/15/22/69/557152269.db2.gz CVGDXXINQHFVEM-AWEZNQCLSA-N 0 0 437.452 2.315 50 0 IEAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2C[C@H](O)c2ccccc2)cc1 ZINC000000720430 557152710 /nfs/dbraw/zinc/15/27/10/557152710.db2.gz OHXRBZNWPNVGFW-IBGZPJMESA-N 0 0 445.479 2.096 50 0 biogenic IEAARN CCN1CCN(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000024601933 557152909 /nfs/dbraw/zinc/15/29/09/557152909.db2.gz NCXJDCVHYHHWPV-GFCCVEGCSA-N 0 0 430.456 2.206 50 0 IEAARN CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000727074 557156620 /nfs/dbraw/zinc/15/66/20/557156620.db2.gz PHWYAVNMEXMKCF-ZDUSSCGKSA-N 0 0 438.937 2.265 50 0 IEAARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000024630956 557156730 /nfs/dbraw/zinc/15/67/30/557156730.db2.gz PNEZCZCPZVCTBO-UHFFFAOYSA-N 0 0 426.425 2.460 50 0 IEAARN COC(=O)Cn1c2ccc(C(=O)OC)cc2sc1=NC(=O)Cc1ccc2c(c1)OCO2 ZINC000013969017 557156820 /nfs/dbraw/zinc/15/68/20/557156820.db2.gz IAOIRLMMUJCFGW-QURGRASLSA-N 0 0 442.449 2.061 50 0 IEAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1 ZINC000095528644 557158088 /nfs/dbraw/zinc/15/80/88/557158088.db2.gz BOZPLAWNGVZERT-HXUWFJFHSA-N 0 0 437.496 2.264 50 0 IEAARN COc1ccc(C(=O)N[C@H](C(=O)NC2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 ZINC000011528679 557159911 /nfs/dbraw/zinc/15/99/11/557159911.db2.gz XFBSBHDNAKWXNR-FQEVSTJZSA-N 0 0 427.501 2.464 50 0 IEAARN COC(=O)Cc1csc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2C)n1 ZINC000024715999 557160312 /nfs/dbraw/zinc/16/03/12/557160312.db2.gz SFKYAOHWHWWFIC-UHFFFAOYSA-N 0 0 433.515 2.394 50 0 IEAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000024748282 557162095 /nfs/dbraw/zinc/16/20/95/557162095.db2.gz HVPSGSXFWAFYIW-UHFFFAOYSA-N 0 0 447.557 2.338 50 0 IEAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4CCCCCC4)c3c2)C1 ZINC000014735370 557162356 /nfs/dbraw/zinc/16/23/56/557162356.db2.gz NCFRWYZQRMECLX-INIZCTEOSA-N 0 0 449.577 2.120 50 0 IEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nnnn1CC(C)C ZINC000024755718 557162910 /nfs/dbraw/zinc/16/29/10/557162910.db2.gz MDRWTMLHMNJVQY-ZDUSSCGKSA-N 0 0 426.568 2.007 50 0 IEAARN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000024755061 557162916 /nfs/dbraw/zinc/16/29/16/557162916.db2.gz RPBRKKNOYTUQJD-UHFFFAOYSA-N 0 0 443.978 2.101 50 0 IEAARN Cn1c2cc(S(=O)(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)ccc2oc1=O ZINC000206792131 557163752 /nfs/dbraw/zinc/16/37/52/557163752.db2.gz YHKITVNWGACYPA-LBPRGKRZSA-N 0 0 442.419 2.103 50 0 IEAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206906691 557166014 /nfs/dbraw/zinc/16/60/14/557166014.db2.gz HJQBDMXXMLYTKP-UHFFFAOYSA-N 0 0 441.495 2.452 50 0 IEAARN COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2nccn2C)cc1 ZINC000024773337 557166202 /nfs/dbraw/zinc/16/62/02/557166202.db2.gz HBFWQIIHKFZFFH-AOMKIAJQSA-N 0 0 448.479 2.416 50 0 IEAARN COc1cc(C(=O)NCC(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc(OC)c1OC ZINC000024785871 557167693 /nfs/dbraw/zinc/16/76/93/557167693.db2.gz IUORAOUKWUGAAL-UHFFFAOYSA-N 0 0 439.472 2.278 50 0 IEAARN COc1nn(C)c2nc(C)c(CCC(=O)NC[C@@H](CC(C)C)N3CCOCC3)c(C)c12 ZINC000024824461 557168980 /nfs/dbraw/zinc/16/89/80/557168980.db2.gz SFSGNFVAMSZYOV-GOSISDBHSA-N 0 0 431.581 2.389 50 0 IEAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000024829040 557169813 /nfs/dbraw/zinc/16/98/13/557169813.db2.gz XENNSBVEMBFEGF-BLLLJJGKSA-N 0 0 449.495 2.122 50 0 IEAARN CCOc1ccc(-c2nnc3n(Cc4ccccc4F)c4c(n23)n(C)c(=O)[nH]c4=O)cc1 ZINC000010970021 557181721 /nfs/dbraw/zinc/18/17/21/557181721.db2.gz LJFFFKQGPJOMLZ-UHFFFAOYSA-N 0 0 434.431 2.324 50 0 IEAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000024971753 557183944 /nfs/dbraw/zinc/18/39/44/557183944.db2.gz KIZHVYFAFZMXDG-CMJOXMDJSA-N 0 0 435.436 2.156 50 0 IEAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000024971767 557184060 /nfs/dbraw/zinc/18/40/60/557184060.db2.gz KIZHVYFAFZMXDG-WNSKOXEYSA-N 0 0 435.436 2.156 50 0 IEAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)s1 ZINC000009263955 557185125 /nfs/dbraw/zinc/18/51/25/557185125.db2.gz PTGVGUXBGBTZJL-UHFFFAOYSA-N 0 0 437.938 2.289 50 0 IEAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000024985584 557186235 /nfs/dbraw/zinc/18/62/35/557186235.db2.gz WEVCZSZWZIICBR-DZGCQCFKSA-N 0 0 432.420 2.406 50 0 IEAARN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1F ZINC000024986570 557186437 /nfs/dbraw/zinc/18/64/37/557186437.db2.gz YNLPLBBDXDKHIJ-MRXNPFEDSA-N 0 0 428.302 2.240 50 0 IEAARN CCc1nnc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)s1 ZINC000009328529 557187001 /nfs/dbraw/zinc/18/70/01/557187001.db2.gz YGWNIJUGLDSWNV-UHFFFAOYSA-N 0 0 449.537 2.071 50 0 IEAARN CCOc1ccc([C@@H](CNC(=O)CCN2CCSC2=O)N2CCOCC2)cc1OC ZINC000024991766 557187673 /nfs/dbraw/zinc/18/76/73/557187673.db2.gz MACGAUJNXWCFGL-QGZVFWFLSA-N 0 0 437.562 2.142 50 0 IEAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cc(C)no3)C2=O)cc(OC)c1OC ZINC000097997375 557187836 /nfs/dbraw/zinc/18/78/36/557187836.db2.gz PCQXVMIHSMJTDX-MHWRWJLKSA-N 0 0 447.469 2.475 50 0 IEAARN O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024373046 557189811 /nfs/dbraw/zinc/18/98/11/557189811.db2.gz CAPQWQVJPMRHBU-UHFFFAOYSA-N 0 0 435.424 2.118 50 0 IEAARN CN(Cc1cnn(C)c1)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000025046602 557190639 /nfs/dbraw/zinc/19/06/39/557190639.db2.gz KZNBQYCSYJDQIH-UHFFFAOYSA-N 0 0 434.543 2.344 50 0 IEAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000025063060 557193624 /nfs/dbraw/zinc/19/36/24/557193624.db2.gz JMKFONRSSBMDNB-UHFFFAOYSA-N 0 0 444.513 2.062 50 0 IEAARN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(F)cc1F ZINC000025064028 557193690 /nfs/dbraw/zinc/19/36/90/557193690.db2.gz XWVLHCZBSVJPGP-UHFFFAOYSA-N 0 0 426.485 2.497 50 0 IEAARN COC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)/C=C/c1cccs1 ZINC000100876547 557195115 /nfs/dbraw/zinc/19/51/15/557195115.db2.gz XTAQUFITSWUZDO-FRZNMHPSSA-N 0 0 436.536 2.482 50 0 IEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100872882 557195732 /nfs/dbraw/zinc/19/57/32/557195732.db2.gz MHIXFKNXPIGKLV-JZJYNLBNSA-N 0 0 425.919 2.391 50 0 IEAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000025119594 557195871 /nfs/dbraw/zinc/19/58/71/557195871.db2.gz VSUAUNWUVUNVOZ-QGZVFWFLSA-N 0 0 429.908 2.092 50 0 IEAARN CCCC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O ZINC000025115947 557195895 /nfs/dbraw/zinc/19/58/95/557195895.db2.gz DBNWKPVZHQEPAY-XDHUDOTRSA-N 0 0 435.480 2.281 50 0 IEAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O ZINC000100873158 557196203 /nfs/dbraw/zinc/19/62/03/557196203.db2.gz OSZOUIDQDBPMBQ-DQRAZIAOSA-N 0 0 425.466 2.081 50 0 IEAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000025140217 557196476 /nfs/dbraw/zinc/19/64/76/557196476.db2.gz KMYHKQLDYRAWMZ-UHFFFAOYSA-N 0 0 427.482 2.045 50 0 IEAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1c(F)cccc1F ZINC000100873654 557196479 /nfs/dbraw/zinc/19/64/79/557196479.db2.gz QIQABHLJXMHYLG-PYCFMQQDSA-N 0 0 441.481 2.406 50 0 IEAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1cnc2ccccc2n1 ZINC000100873816 557196482 /nfs/dbraw/zinc/19/64/82/557196482.db2.gz BRGJQPAASWJJBX-ATJXCDBQSA-N 0 0 442.522 2.437 50 0 IEAARN COC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1sc(C)nc1C ZINC000100877931 557197863 /nfs/dbraw/zinc/19/78/63/557197863.db2.gz NBOLWNRWCRYETO-ZPHPHTNESA-N 0 0 439.540 2.094 50 0 IEAARN COCCNC(=O)c1ccccc1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C ZINC000025166740 557198007 /nfs/dbraw/zinc/19/80/07/557198007.db2.gz SSLAGMXUCCDQQC-UHFFFAOYSA-N 0 0 428.518 2.020 50 0 IEAARN C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000025372211 557206247 /nfs/dbraw/zinc/20/62/47/557206247.db2.gz KQRVWOKMFFMAOU-HNNXBMFYSA-N 0 0 444.525 2.331 50 0 IEAARN Cc1c(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000025375069 557206314 /nfs/dbraw/zinc/20/63/14/557206314.db2.gz NQYGOVYYEPSQNC-UHFFFAOYSA-N 0 0 425.489 2.068 50 0 IEAARN CC(C)CN(CC(C)C)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000025387267 557206619 /nfs/dbraw/zinc/20/66/19/557206619.db2.gz XYSOZVMKCILYQA-QGZVFWFLSA-N 0 0 432.517 2.495 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc3ccccn32)c1 ZINC000025392543 557207618 /nfs/dbraw/zinc/20/76/18/557207618.db2.gz ZPVLTSFZKMDFQA-UHFFFAOYSA-N 0 0 425.923 2.364 50 0 IEAARN Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 ZINC000025405222 557208755 /nfs/dbraw/zinc/20/87/55/557208755.db2.gz KSCWUZIDKCFLHF-NRFANRHFSA-N 0 0 444.553 2.061 50 0 IEAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3cc(F)ccc3F)c(=O)n3c2CCCCC3)no1 ZINC000169771787 557212086 /nfs/dbraw/zinc/21/20/86/557212086.db2.gz AZRRDSGYMRFJSP-UHFFFAOYSA-N 0 0 445.426 2.266 50 0 IEAARN O=C(Cc1csc(-c2ccco2)n1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000025508066 557212269 /nfs/dbraw/zinc/21/22/69/557212269.db2.gz UPWLRUCMCUWUOR-UHFFFAOYSA-N 0 0 441.538 2.359 50 0 IEAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N/C(=O)c1ccccc1S(C)(=O)=O ZINC000101041711 557215091 /nfs/dbraw/zinc/21/50/91/557215091.db2.gz XCAIBIVQCZUSIK-LSDHQDQOSA-N 0 0 447.538 2.452 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc4c[nH]nc43)CC2)cc1 ZINC000025610652 557219393 /nfs/dbraw/zinc/21/93/93/557219393.db2.gz MDLIHWGLKAJMAX-UHFFFAOYSA-N 0 0 441.513 2.104 50 0 IEAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 ZINC000025726855 557223623 /nfs/dbraw/zinc/22/36/23/557223623.db2.gz HCZZRIIHCMVBLC-HNNXBMFYSA-N 0 0 438.933 2.299 50 0 IEAARN CCCn1nc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O ZINC000025815602 557227404 /nfs/dbraw/zinc/22/74/04/557227404.db2.gz RBBFIURYVVKIKU-HNNXBMFYSA-N 0 0 429.498 2.229 50 0 IEAARN NC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 ZINC000011613366 557230588 /nfs/dbraw/zinc/23/05/88/557230588.db2.gz NMTRWQCNZRHQHH-MRXNPFEDSA-N 0 0 446.492 2.357 50 0 IEAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)N1CCOCC1 ZINC000011613395 557230957 /nfs/dbraw/zinc/23/09/57/557230957.db2.gz MEHFSTSQONCSNB-CQSZACIVSA-N 0 0 431.905 2.131 50 0 IEAARN CC[C@@H]([NH2+]C[C@@H](O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000011667603 557231568 /nfs/dbraw/zinc/23/15/68/557231568.db2.gz MNKQDMAGFRLZDT-YLJYHZDGSA-N 0 0 436.530 2.013 50 0 IEAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000018092097 557236334 /nfs/dbraw/zinc/23/63/34/557236334.db2.gz IIDGVCWYEJUKDD-UHFFFAOYSA-N 0 0 447.488 2.226 50 0 IEAARN CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000098213138 557236299 /nfs/dbraw/zinc/23/62/99/557236299.db2.gz IHUITFCERGOFSG-UHFFFAOYSA-N 0 0 435.484 2.047 50 0 IEAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000018120804 557238192 /nfs/dbraw/zinc/23/81/92/557238192.db2.gz XEMYGZGGKMSRJY-LRGNLBRXSA-N 0 0 445.431 2.021 50 0 IEAARN COc1ccc([C@H](O)Cn2cnc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000583649632 557240593 /nfs/dbraw/zinc/24/05/93/557240593.db2.gz QWPBVXMVWZXSIF-HXUWFJFHSA-N 0 0 425.464 2.122 50 0 IEAARN COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604404470 557247501 /nfs/dbraw/zinc/24/75/01/557247501.db2.gz HOQATRQFACSVIT-SFHVURJKSA-N 0 0 439.468 2.310 50 0 biogenic IEAARN COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604404642 557247748 /nfs/dbraw/zinc/24/77/48/557247748.db2.gz GNOAGBVDDQBVOS-MRXNPFEDSA-N 0 0 427.457 2.237 50 0 biogenic IEAARN CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000026825655 557249090 /nfs/dbraw/zinc/24/90/90/557249090.db2.gz GLYJMTDTYWOMFN-UHFFFAOYSA-N 0 0 432.384 2.014 50 0 IEAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCCCn2c3ccccc3[nH]c2=O)c1 ZINC000026796880 557249138 /nfs/dbraw/zinc/24/91/38/557249138.db2.gz BULQVRPWXFKMQM-UHFFFAOYSA-N 0 0 431.514 2.248 50 0 IEAARN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026844045 557249486 /nfs/dbraw/zinc/24/94/86/557249486.db2.gz VABREUUKVNSLOX-QGZVFWFLSA-N 0 0 430.549 2.122 50 0 IEAARN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1c(C)c(C)sc1-n1cnnn1 ZINC000604419668 557251992 /nfs/dbraw/zinc/25/19/92/557251992.db2.gz QQBVDJGASHKJDZ-UHFFFAOYSA-N 0 0 442.501 2.074 50 0 IEAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 ZINC000018227682 557253029 /nfs/dbraw/zinc/25/30/29/557253029.db2.gz TULCPZWXCWEUTO-SFHVURJKSA-N 0 0 434.949 2.237 50 0 IEAARN COc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1OC ZINC000390830783 557253759 /nfs/dbraw/zinc/25/37/59/557253759.db2.gz NKKQOFMCLBRWIQ-LJQANCHMSA-N 0 0 425.528 2.254 50 0 IEAARN CCOC(=O)C1=C(COC(=O)c2ccccc2CSC2=NCCS2)NC(=O)NC1 ZINC000018261777 557254544 /nfs/dbraw/zinc/25/45/44/557254544.db2.gz OCUNVIQLLIQVIM-UHFFFAOYSA-N 0 0 435.527 2.309 50 0 IEAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000027047540 557255928 /nfs/dbraw/zinc/25/59/28/557255928.db2.gz DPCHTIKRXNFSBW-UHFFFAOYSA-N 0 0 445.589 2.368 50 0 IEAARN Cc1cc(C)nc(SCCn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000000812587 557257204 /nfs/dbraw/zinc/25/72/04/557257204.db2.gz ZJRRSYOKPOZOGX-UHFFFAOYSA-N 0 0 443.577 2.013 50 0 IEAARN Nc1c(C(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027372057 557261106 /nfs/dbraw/zinc/26/11/06/557261106.db2.gz CHTXWZDJRRRDFS-KRWDZBQOSA-N 0 0 428.539 2.407 50 0 IEAARN O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000027394632 557261814 /nfs/dbraw/zinc/26/18/14/557261814.db2.gz ZPRPCZHKVQXNON-HXUWFJFHSA-N 0 0 447.532 2.245 50 0 IEAARN COc1ccc(N2C(=O)c3ccccc3/C(=C/N[C@@H]3CCS(=O)(=O)C3)C2=O)c(OC)c1 ZINC000101189223 557262950 /nfs/dbraw/zinc/26/29/50/557262950.db2.gz PDDXXBCNVRDFIM-IIMQCXAKSA-N 0 0 442.493 2.008 50 0 IEAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000072271228 557265211 /nfs/dbraw/zinc/26/52/11/557265211.db2.gz VAMDSURONPAUDB-UHFFFAOYSA-N 0 0 442.545 2.493 50 0 IEAARN COc1cccc(Cn2nccc2NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1OC ZINC000101426150 557283618 /nfs/dbraw/zinc/28/36/18/557283618.db2.gz RCTRWPCNTYNHRL-CALCHBBNSA-N 0 0 440.500 2.452 50 0 IEAARN C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ncc(Cl)cc1Cl ZINC000101510060 557290216 /nfs/dbraw/zinc/29/02/16/557290216.db2.gz STIUFXKINYWTDP-DLOVCJGASA-N 0 0 428.272 2.434 50 0 IEAARN COc1ccc(CNC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCC3)CC2)cc1 ZINC000101624357 557292838 /nfs/dbraw/zinc/29/28/38/557292838.db2.gz PHAMISMAJGZMGO-UHFFFAOYSA-N 0 0 425.529 2.426 50 0 IEAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)cc4)ncn3n2)cc1 ZINC000011666438 557299997 /nfs/dbraw/zinc/29/99/97/557299997.db2.gz PVXVSGSJABGNCX-UHFFFAOYSA-N 0 0 433.468 2.282 50 0 IEAARN Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1C ZINC000014080432 557300592 /nfs/dbraw/zinc/30/05/92/557300592.db2.gz FLPJVBFSLPVHPW-GOSISDBHSA-N 0 0 445.541 2.129 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000014128693 557307782 /nfs/dbraw/zinc/30/77/82/557307782.db2.gz JRTVMTSDOTYAKN-QGZVFWFLSA-N 0 0 445.541 2.447 50 0 IEAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N ZINC000014142265 557310487 /nfs/dbraw/zinc/31/04/87/557310487.db2.gz CGQAWJYPHSGHBP-UHFFFAOYSA-N 0 0 440.457 2.152 50 0 IEAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102178638 557314283 /nfs/dbraw/zinc/31/42/83/557314283.db2.gz DPTGZSCEALXUMN-STQMWFEESA-N 0 0 425.407 2.278 50 0 IEAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000014201431 557317601 /nfs/dbraw/zinc/31/76/01/557317601.db2.gz YKTBMWIXZWHHNY-HLLBOEOZSA-N 0 0 438.546 2.279 50 0 IEAARN O=C(NC[C@@H](O)COc1ccccc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000032914622 557318114 /nfs/dbraw/zinc/31/81/14/557318114.db2.gz OKJFYBBQNDDWRC-RDOKFVIMSA-N 0 0 444.553 2.255 50 0 IEAARN COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)cc1S(N)(=O)=O ZINC000032922295 557318218 /nfs/dbraw/zinc/31/82/18/557318218.db2.gz JZDVSIXSXTZJMQ-HNNXBMFYSA-N 0 0 425.894 2.202 50 0 IEAARN O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000032933228 557318854 /nfs/dbraw/zinc/31/88/54/557318854.db2.gz BOLZFCYVJUVLGZ-KRWDZBQOSA-N 0 0 428.470 2.446 50 0 IEAARN COc1ccc(OCc2cc(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)c(C)o2)cc1 ZINC000032957450 557319112 /nfs/dbraw/zinc/31/91/12/557319112.db2.gz DLHIMFPYPWADLO-UHFFFAOYSA-N 0 0 430.457 2.056 50 0 IEAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCCN2CCOCC2)s1 ZINC000032995355 557321849 /nfs/dbraw/zinc/32/18/49/557321849.db2.gz YDKXVHQJQWOGRY-UHFFFAOYSA-N 0 0 431.562 2.260 50 0 IEAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1nccs1 ZINC000033129079 557324920 /nfs/dbraw/zinc/32/49/20/557324920.db2.gz TVEKKPDLGDIEPH-CYBMUJFWSA-N 0 0 449.558 2.027 50 0 IEAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000014242921 557329131 /nfs/dbraw/zinc/32/91/31/557329131.db2.gz MJUFNTWJSNZMJR-BFYDXBDKSA-N 0 0 438.546 2.279 50 0 IEAARN O=C(CCn1nc2ccccn2c1=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000072311452 557333214 /nfs/dbraw/zinc/33/32/14/557333214.db2.gz AKDNNAMOKGCDOM-UHFFFAOYSA-N 0 0 443.891 2.122 50 0 IEAARN Cn1c2ccccc2n(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1=O ZINC000072293373 557346370 /nfs/dbraw/zinc/34/63/70/557346370.db2.gz FIBPSQBJQDHHLU-HXUWFJFHSA-N 0 0 434.496 2.295 50 0 IEAARN CC(C)(C)c1cn2nc(N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)sc2n1 ZINC000023371074 557351843 /nfs/dbraw/zinc/35/18/43/557351843.db2.gz SVBDASJLBWJBGL-UHFFFAOYSA-N 0 0 429.575 2.480 50 0 IEAARN CCOC(=O)C(=O)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000023432938 557355789 /nfs/dbraw/zinc/35/57/89/557355789.db2.gz OWWXOVBOUFLRMB-UHFFFAOYSA-N 0 0 448.405 2.022 50 0 IEAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000023481623 557364283 /nfs/dbraw/zinc/36/42/83/557364283.db2.gz YVPRECZEXJOWRL-FQEVSTJZSA-N 0 0 434.514 2.086 50 0 IEAARN CN(Cc1ccccc1)C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O ZINC000072329708 557367221 /nfs/dbraw/zinc/36/72/21/557367221.db2.gz BEOCIPWPYAWDFS-UHFFFAOYSA-N 0 0 447.451 2.450 50 0 IEAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000102730249 557371189 /nfs/dbraw/zinc/37/11/89/557371189.db2.gz FLUXADHATCIBOK-JSGCOSHPSA-N 0 0 425.919 2.183 50 0 IEAARN CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000023805097 557375889 /nfs/dbraw/zinc/37/58/89/557375889.db2.gz KDOCDBQFSOMFFL-UHFFFAOYSA-N 0 0 438.572 2.426 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000023989890 557390173 /nfs/dbraw/zinc/39/01/73/557390173.db2.gz HZGURDJATUTPLB-FQEVSTJZSA-N 0 0 449.598 2.254 50 0 IEAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1OC ZINC000011694119 557392158 /nfs/dbraw/zinc/39/21/58/557392158.db2.gz VEMRZOHUUMWQSK-UHFFFAOYSA-N 0 0 437.496 2.473 50 0 IEAARN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O ZINC000011694111 557392174 /nfs/dbraw/zinc/39/21/74/557392174.db2.gz UDSZBJVQNRAHME-UHFFFAOYSA-N 0 0 437.452 2.021 50 0 IEAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 ZINC000013955891 557397729 /nfs/dbraw/zinc/39/77/29/557397729.db2.gz SJZPDBQYCJCKCE-UHFFFAOYSA-N 0 0 439.541 2.205 50 0 IEAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3O)n2C)cc1 ZINC000013956062 557398026 /nfs/dbraw/zinc/39/80/26/557398026.db2.gz WIWBZFAZUIBQGR-UHFFFAOYSA-N 0 0 427.486 2.190 50 0 IEAARN Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)[C@@H]2CC(=O)Nc1ccc(Cl)cc1 ZINC000102881613 557408028 /nfs/dbraw/zinc/40/80/28/557408028.db2.gz ZLRMNBKAUMRHEN-MRXNPFEDSA-N 0 0 438.871 2.313 50 0 IEAARN CN(C(=O)CCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000033548304 557410002 /nfs/dbraw/zinc/41/00/02/557410002.db2.gz QQHOARSWSMHVFF-MFYHJKBNSA-N 0 0 442.946 2.412 50 0 IEAARN COC(=O)CC1(NC(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)CCCC1 ZINC000408519006 557412695 /nfs/dbraw/zinc/41/26/95/557412695.db2.gz RIOXYQICZZPFNS-UHFFFAOYSA-N 0 0 437.924 2.103 50 0 IEAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)OC ZINC000103996932 557447192 /nfs/dbraw/zinc/44/71/92/557447192.db2.gz TZIHBFDCGFSPRF-NMLBUPMWSA-N 0 0 432.432 2.162 50 0 IEAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCc3nc4ccccc4n3C)C2=O)cc1 ZINC000223228740 557448692 /nfs/dbraw/zinc/44/86/92/557448692.db2.gz DZNGAZUCLBRRBF-LJQANCHMSA-N 0 0 449.511 2.141 50 0 IEAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000085690685 557459388 /nfs/dbraw/zinc/45/93/88/557459388.db2.gz CIECGYKGRMEOPR-MRXNPFEDSA-N 0 0 433.468 2.369 50 0 IEAARN COc1ccccc1CCNS(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000105050105 557473932 /nfs/dbraw/zinc/47/39/32/557473932.db2.gz VBPUVMRGDMLKIB-LEWJYISDSA-N 0 0 436.530 2.161 50 0 IEAARN CN1OC[C@H](S(=O)(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccc(F)c1F ZINC000105049585 557474028 /nfs/dbraw/zinc/47/40/28/557474028.db2.gz HCDMUJQKKFVCFC-FPOVZHCZSA-N 0 0 437.512 2.399 50 0 IEAARN C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000105055908 557474460 /nfs/dbraw/zinc/47/44/60/557474460.db2.gz OCHFYKNSGVPWLW-LJPSSGMGSA-N 0 0 446.935 2.157 50 0 IEAARN Cc1cc(=O)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)nn1-c1ccccc1 ZINC000018385816 557509103 /nfs/dbraw/zinc/50/91/03/557509103.db2.gz SGSIRDSSOSUHCY-UHFFFAOYSA-N 0 0 446.463 2.229 50 0 IEAARN O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031073 557524098 /nfs/dbraw/zinc/52/40/98/557524098.db2.gz FDAPNJRJXLJMPZ-HNNXBMFYSA-N 0 0 445.921 2.370 50 0 IEAARN Cc1ccc(OCC(=O)NCCn2ncc3c2ncn(Cc2ccccc2C)c3=O)cc1 ZINC000012072157 557526837 /nfs/dbraw/zinc/52/68/37/557526837.db2.gz ZJTUHQZXQWRZLP-UHFFFAOYSA-N 0 0 431.496 2.453 50 0 IEAARN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000106755226 557532142 /nfs/dbraw/zinc/53/21/42/557532142.db2.gz CCDNRLSVCGMYOB-UZUQRXQVSA-N 0 0 432.524 2.105 50 0 IEAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)cc1OC ZINC000044922071 557540996 /nfs/dbraw/zinc/54/09/96/557540996.db2.gz AAKFOWGDQBBZHV-UHFFFAOYSA-N 0 0 441.459 2.434 50 0 IEAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000045411197 557543325 /nfs/dbraw/zinc/54/33/25/557543325.db2.gz WYPWHXMDDTZNRF-UHFFFAOYSA-N 0 0 425.495 2.499 50 0 IEAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O ZINC000045896470 557546004 /nfs/dbraw/zinc/54/60/04/557546004.db2.gz CYGOMGZZMWVVBS-UHFFFAOYSA-N 0 0 442.560 2.309 50 0 IEAARN CCn1c(=O)c(-c2noc(C(=O)NC3CCCCCC3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946298 557550811 /nfs/dbraw/zinc/55/08/11/557550811.db2.gz CVUFPOSICNQJET-UHFFFAOYSA-N 0 0 438.488 2.225 50 0 IEAARN CCOC(=O)Oc1c(OC)cc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1OC ZINC000045961160 557555123 /nfs/dbraw/zinc/55/51/23/557555123.db2.gz AUOSJGQMZGGBOD-UHFFFAOYSA-N 0 0 443.416 2.476 50 0 IEAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1 ZINC000027643259 557675990 /nfs/dbraw/zinc/67/59/90/557675990.db2.gz VRDFLWNZOCULPZ-UHFFFAOYSA-N 0 0 431.905 2.336 50 0 IEAARN Cc1cc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)no1 ZINC000040081916 557693212 /nfs/dbraw/zinc/69/32/12/557693212.db2.gz DWRQMWMKWCCTBZ-INIZCTEOSA-N 0 0 443.529 2.173 50 0 IEAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000225446425 557723728 /nfs/dbraw/zinc/72/37/28/557723728.db2.gz RMFBDCSESGAGDD-DVECYGJZSA-N 0 0 440.519 2.450 50 0 IEAARN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000225609089 557751062 /nfs/dbraw/zinc/75/10/62/557751062.db2.gz QHELYQWRWNHTGD-GJZGRUSLSA-N 0 0 439.516 2.004 50 0 IEAARN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1 ZINC000225643922 557756211 /nfs/dbraw/zinc/75/62/11/557756211.db2.gz NZACCLMOPDXMPW-HNNXBMFYSA-N 0 0 440.529 2.451 50 0 IEAARN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1 ZINC000225643951 557756260 /nfs/dbraw/zinc/75/62/60/557756260.db2.gz NZACCLMOPDXMPW-OAHLLOKOSA-N 0 0 440.529 2.451 50 0 IEAARN O=S(=O)(Nc1ccc(Br)c(O)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000225697738 557765953 /nfs/dbraw/zinc/76/59/53/557765953.db2.gz PDLRDPVDKICDOO-UHFFFAOYSA-N 0 0 447.332 2.396 50 0 IEAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cc[nH]n3)CC2)cc1 ZINC000225701736 557766696 /nfs/dbraw/zinc/76/66/96/557766696.db2.gz ADRJZBWCNVCFHQ-HXUWFJFHSA-N 0 0 430.530 2.377 50 0 IEAARN CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000225829620 557782319 /nfs/dbraw/zinc/78/23/19/557782319.db2.gz ACEYOUQEOLVTIS-GFCCVEGCSA-N 0 0 440.367 2.456 50 0 IEAARN O=C1N[C@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=C[NH2+][C@H]2C=CC=C[C@@H]12 ZINC000227310367 557819992 /nfs/dbraw/zinc/81/99/92/557819992.db2.gz OYISWBUZQIPFQV-DCGLDWPTSA-N 0 0 440.813 2.340 50 0 IEAARN Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2C)cc1 ZINC000000850884 557830787 /nfs/dbraw/zinc/83/07/87/557830787.db2.gz FGRAEEHAXXCDCT-GOSISDBHSA-N 0 0 449.511 2.092 50 0 IEAARN CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cn(C)nc1C)[C@H](C1CC1)C[C@H]2C(F)F ZINC000229908657 557833995 /nfs/dbraw/zinc/83/39/95/557833995.db2.gz AAGIFJGDEYCMRN-KBPBESRZSA-N 0 0 443.476 2.286 50 0 IEAARN COc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccc(F)cc3F)c(=O)c2cc1OC ZINC000085942282 557835570 /nfs/dbraw/zinc/83/55/70/557835570.db2.gz VNKWHHOBCOHAFV-UHFFFAOYSA-N 0 0 447.438 2.472 50 0 IEAARN O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(-c2nccs2)cc1 ZINC000025042899 557850617 /nfs/dbraw/zinc/85/06/17/557850617.db2.gz JMXOFAUCBRXFAH-BFYDXBDKSA-N 0 0 434.543 2.156 50 0 IEAARN CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253501531 560037987 /nfs/dbraw/zinc/03/79/87/560037987.db2.gz WYAMNJUPQNEGOI-ARXROMJUSA-N 0 0 436.504 2.449 50 0 biogenic,in-vitro IEAARN COC(=O)C1C(C)=Nc2sc(C(N)=O)c(N)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009302616 560211198 /nfs/dbraw/zinc/21/11/98/560211198.db2.gz JOTBQNZRZAUSBB-ZDUSSCGKSA-N 0 0 433.486 2.459 50 0 biogenic,in-vitro IEAARN COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2OC)cc1OC ZINC000001075087 562920266 /nfs/dbraw/zinc/92/02/66/562920266.db2.gz CFARPYFSDUROHL-UHFFFAOYSA-N 0 0 429.502 2.139 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000001363313 562921365 /nfs/dbraw/zinc/92/13/65/562921365.db2.gz FEPCMQCJVZCBJF-INIZCTEOSA-N 0 0 432.498 2.141 50 0 IEAARN CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000001391677 562921636 /nfs/dbraw/zinc/92/16/36/562921636.db2.gz OLJJQZDMDGGHQE-LLVKDONJSA-N 0 0 429.709 2.089 50 0 IEAARN COc1ccc(CCNC(=O)CSc2nnnn2-c2cccc(C(C)=O)c2)cc1OC ZINC000001424477 562921770 /nfs/dbraw/zinc/92/17/70/562921770.db2.gz ZPVYRRUJGLMBQR-UHFFFAOYSA-N 0 0 441.513 2.333 50 0 IEAARN COC(=O)CN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000002269521 562926708 /nfs/dbraw/zinc/92/67/08/562926708.db2.gz IKGXIBFZRDVKPX-UHFFFAOYSA-N 0 0 444.307 2.233 50 0 IEAARN CN(C)c1nc(OCCOC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1 ZINC000002266582 562926719 /nfs/dbraw/zinc/92/67/19/562926719.db2.gz QYUPIVBPVDMJHA-UHFFFAOYSA-N 0 0 430.292 2.311 50 0 IEAARN CCOC(=O)c1cc(C(=O)OCC)c(=O)n(NC(=O)c2ccc(Cl)cc2Cl)c1N ZINC000002557514 562928363 /nfs/dbraw/zinc/92/83/63/562928363.db2.gz QGHXTFJRKKVKJP-UHFFFAOYSA-N 0 0 442.255 2.475 50 0 IEAARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 ZINC000002617212 562928424 /nfs/dbraw/zinc/92/84/24/562928424.db2.gz VMZBTTCFDKBYDX-UHFFFAOYSA-N 0 0 427.409 2.009 50 0 IEAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)C[C@H](C)O1 ZINC000002619389 562928473 /nfs/dbraw/zinc/92/84/73/562928473.db2.gz CZQHBVTWORVVKJ-GJZGRUSLSA-N 0 0 432.498 2.143 50 0 IEAARN COCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002661633 562929653 /nfs/dbraw/zinc/92/96/53/562929653.db2.gz XFXVASVKXFELGF-UHFFFAOYSA-N 0 0 426.498 2.161 50 0 IEAARN O=C(Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2ccccc21)N1CCOCC1 ZINC000003007676 562931586 /nfs/dbraw/zinc/93/15/86/562931586.db2.gz VAHKWMCUTXTFQQ-UHFFFAOYSA-N 0 0 431.492 2.268 50 0 IEAARN CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 ZINC000003217182 562932863 /nfs/dbraw/zinc/93/28/63/562932863.db2.gz FIKJMOZOAKVRGH-UHFFFAOYSA-N 0 0 427.478 2.479 50 0 IEAARN Nc1cccc2c1C(=O)N(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2=O ZINC000003249434 562933325 /nfs/dbraw/zinc/93/33/25/562933325.db2.gz PDCYSDOOWIRTJB-UHFFFAOYSA-N 0 0 427.482 2.270 50 0 IEAARN O=C(/C=C/c1ccc(F)cc1)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003271819 562933555 /nfs/dbraw/zinc/93/35/55/562933555.db2.gz JMUUUXGZOKOKSH-XCVCLJGOSA-N 0 0 448.472 2.042 50 0 IEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C(=O)c4cccc(N)c4C3=O)c2)C1 ZINC000003283237 562933663 /nfs/dbraw/zinc/93/36/63/562933663.db2.gz LBKAPIHOKOHZFG-ZIAGYGMSSA-N 0 0 441.509 2.372 50 0 IEAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000003283879 562933665 /nfs/dbraw/zinc/93/36/65/562933665.db2.gz YJSWQMCOWXEMAK-UHFFFAOYSA-N 0 0 428.413 2.334 50 0 IEAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccc(F)cc1 ZINC000003302909 562933988 /nfs/dbraw/zinc/93/39/88/562933988.db2.gz SHFJQXYMBCOYGN-UHFFFAOYSA-N 0 0 446.456 2.370 50 0 IEAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000003356258 562934749 /nfs/dbraw/zinc/93/47/49/562934749.db2.gz AOUSOHMKZZSYOT-UHFFFAOYSA-N 0 0 449.960 2.498 50 0 IEAARN COc1ccc(/C=C/C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000003432899 562935765 /nfs/dbraw/zinc/93/57/65/562935765.db2.gz ISIGBIFPRRGGBH-SOFGYWHQSA-N 0 0 436.555 2.449 50 0 IEAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccc2c(c1)OCCO2 ZINC000003454927 562936114 /nfs/dbraw/zinc/93/61/14/562936114.db2.gz PHFNHEKOFYZFMU-UHFFFAOYSA-N 0 0 427.482 2.281 50 0 IEAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000003495615 562936281 /nfs/dbraw/zinc/93/62/81/562936281.db2.gz PVYGCMZLIURMMJ-GFCCVEGCSA-N 0 0 431.514 2.348 50 0 IEAARN O=C(NCc1ccco1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000004110600 562941979 /nfs/dbraw/zinc/94/19/79/562941979.db2.gz XLIOCJKKAUUERE-KRWDZBQOSA-N 0 0 442.522 2.490 50 0 IEAARN O=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCCO2 ZINC000004142111 562942244 /nfs/dbraw/zinc/94/22/44/562942244.db2.gz DQBZBTNMGHXPJS-UHFFFAOYSA-N 0 0 433.305 2.199 50 0 IEAARN Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1 ZINC000004142320 562942255 /nfs/dbraw/zinc/94/22/55/562942255.db2.gz HXHUTGXEPDQJSH-UHFFFAOYSA-N 0 0 436.512 2.229 50 0 IEAARN COc1ccc(-n2c(Cn3c4ccccc4sc3=O)nnc2SCC(N)=O)cc1 ZINC000006577614 562947750 /nfs/dbraw/zinc/94/77/50/562947750.db2.gz XIFQAWWBGAOVIF-UHFFFAOYSA-N 0 0 427.511 2.278 50 0 IEAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCOC)c(O)c3c2)cc1 ZINC000008584637 562950020 /nfs/dbraw/zinc/95/00/20/562950020.db2.gz HSCSKNFTHBJHSV-UHFFFAOYSA-N 0 0 445.497 2.104 50 0 IEAARN Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)n1 ZINC000008593566 562952773 /nfs/dbraw/zinc/95/27/73/562952773.db2.gz VKINFSNKDIHRTD-UHFFFAOYSA-N 0 0 425.832 2.195 50 0 IEAARN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000008600854 562955127 /nfs/dbraw/zinc/95/51/27/562955127.db2.gz ZGOFFUYNDMUEGU-UHFFFAOYSA-N 0 0 425.510 2.245 50 0 IEAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008601236 562955239 /nfs/dbraw/zinc/95/52/39/562955239.db2.gz WBNRTDDCTYPEJW-SFHVURJKSA-N 0 0 442.603 2.291 50 0 IEAARN O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000008601462 562955360 /nfs/dbraw/zinc/95/53/60/562955360.db2.gz VPTHHOXNWZZPEO-KRWDZBQOSA-N 0 0 432.523 2.331 50 0 IEAARN Cc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 ZINC000008601593 562955469 /nfs/dbraw/zinc/95/54/69/562955469.db2.gz IMWDPGDJZYWTIQ-SFHVURJKSA-N 0 0 427.526 2.315 50 0 IEAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000008624188 562960020 /nfs/dbraw/zinc/96/00/20/562960020.db2.gz ATRKVMIBCUFLSJ-QHCPKHFHSA-N 0 0 438.459 2.006 50 0 IEAARN Cc1cccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCOCC4)c(O)c3c2)c1 ZINC000008642550 562960118 /nfs/dbraw/zinc/96/01/18/562960118.db2.gz IXVONIOBOFMIBH-UHFFFAOYSA-N 0 0 441.509 2.134 50 0 IEAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)c1 ZINC000008670638 562960703 /nfs/dbraw/zinc/96/07/03/562960703.db2.gz RSGPPZWBTZZTQW-CYBMUJFWSA-N 0 0 446.485 2.279 50 0 IEAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008671794 562961003 /nfs/dbraw/zinc/96/10/03/562961003.db2.gz RGOKVPFKSFPNFU-QGZVFWFLSA-N 0 0 448.526 2.039 50 0 IEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)NC1CCCCCCC1 ZINC000008690911 562963304 /nfs/dbraw/zinc/96/33/04/562963304.db2.gz NAHRLDJDIZDALB-UHFFFAOYSA-N 0 0 449.573 2.426 50 0 IEAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008691230 562963468 /nfs/dbraw/zinc/96/34/68/562963468.db2.gz GDKRGCIKEKFXDU-VMPITWQZSA-N 0 0 434.395 2.422 50 0 IEAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1ccccc1 ZINC000008692261 562963598 /nfs/dbraw/zinc/96/35/98/562963598.db2.gz BNPPJDBNETZNTF-UHFFFAOYSA-N 0 0 449.960 2.270 50 0 IEAARN Nc1c(C(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c(=O)[nH]c(=O)n1C1CC1 ZINC000008894271 562965828 /nfs/dbraw/zinc/96/58/28/562965828.db2.gz FJXRIZHBXMZISB-UHFFFAOYSA-N 0 0 434.478 2.163 50 0 IEAARN 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Cc1nc(C(=O)N2CCN(c3ccc(N4CCCC[C@H]4C)nn3)CC2)cc(-n2cccn2)n1 ZINC000090607691 568890138 /nfs/dbraw/zinc/89/01/38/568890138.db2.gz IBSYCTKDVUGYAJ-QGZVFWFLSA-N 0 0 447.547 2.102 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccc3c(c2)OCO3)cc1 ZINC000090612566 568892353 /nfs/dbraw/zinc/89/23/53/568892353.db2.gz VTIYMVWIPJBUCR-GOSISDBHSA-N 0 0 434.514 2.299 50 0 IEAARN O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)C1CCN(c2cc(-n3cccn3)ncn2)CC1 ZINC000090614069 568892522 /nfs/dbraw/zinc/89/25/22/568892522.db2.gz CCQPHWIBZUXPNN-UHFFFAOYSA-N 0 0 442.483 2.268 50 0 IEAARN Cc1nn(CC(=O)NCCc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000012986866 568894967 /nfs/dbraw/zinc/89/49/67/568894967.db2.gz DBZSQNPYHNJJKI-UHFFFAOYSA-N 0 0 436.553 2.419 50 0 IEAARN Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012986745 568895099 /nfs/dbraw/zinc/89/50/99/568895099.db2.gz SZTQWNLERJHZLE-UHFFFAOYSA-N 0 0 436.559 2.374 50 0 IEAARN O=C(CN1CCN(C(=O)c2cc(Br)ccc2O)CC1)NCc1ccccc1 ZINC000013005277 568899178 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2.237 50 0 biogenic IEAARN O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CCN(c2ccccn2)CC1 ZINC000238899727 568910065 /nfs/dbraw/zinc/91/00/65/568910065.db2.gz HCPMZXDWFGILSE-WGSAOQKQSA-N 0 0 432.528 2.342 50 0 IEAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000241588343 568912365 /nfs/dbraw/zinc/91/23/65/568912365.db2.gz PCDWNCKINLERJN-QZTJIDSGSA-N 0 0 430.592 2.143 50 0 IEAARN COc1ccc(C2=NO[C@@H]3[C@H]4O[C@H]([C@@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@@H]54)[C@H]23)c(OC)c1 ZINC000245246500 568913225 /nfs/dbraw/zinc/91/32/25/568913225.db2.gz MZTJORHDZYNNJI-NWUMPJBXSA-N 0 0 434.448 2.318 50 0 IEAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)c1C ZINC000016498894 568920377 /nfs/dbraw/zinc/92/03/77/568920377.db2.gz MQXOKOLFQHRZAK-UHFFFAOYSA-N 0 0 427.530 2.338 50 0 IEAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 ZINC000089420165 568924412 /nfs/dbraw/zinc/92/44/12/568924412.db2.gz KOUIGIMBPIURKF-KSSFIOAISA-N 0 0 433.892 2.110 50 0 IEAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000016596286 568924653 /nfs/dbraw/zinc/92/46/53/568924653.db2.gz NMBPPKMKYWWBFY-FQEVSTJZSA-N 0 0 442.493 2.272 50 0 IEAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002105032 568925013 /nfs/dbraw/zinc/92/50/13/568925013.db2.gz RHXCZTGKYSMARR-IPMKNSEASA-N 0 0 425.554 2.316 50 0 IEAARN N#CC(=NNc1c(Br)cc(Br)cc1Br)C(=O)NN ZINC000252634426 568926310 /nfs/dbraw/zinc/92/63/10/568926310.db2.gz WNNKPLDKGUJOPY-UHFFFAOYSA-N 0 0 439.893 2.255 50 0 IEAARN CS(=O)(=O)N1CCC(CNC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000089484470 568926805 /nfs/dbraw/zinc/92/68/05/568926805.db2.gz SNRLIEBRPMDMIE-UHFFFAOYSA-N 0 0 429.589 2.424 50 0 IEAARN COc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccc(F)cc3)c(=O)c2cc1OC ZINC000064438432 568928336 /nfs/dbraw/zinc/92/83/36/568928336.db2.gz CCAFGLCCHAFLGG-UHFFFAOYSA-N 0 0 429.448 2.333 50 0 IEAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)no1 ZINC000064450653 568928575 /nfs/dbraw/zinc/92/85/75/568928575.db2.gz HZPVIQGLPYDGEY-UHFFFAOYSA-N 0 0 432.433 2.498 50 0 IEAARN CCCCC(=O)Nc1cc2c(cc1N1CCC(C(=O)OCC)CC1)n(C)c(=O)c(=O)n2C ZINC000064526159 568931173 /nfs/dbraw/zinc/93/11/73/568931173.db2.gz PSRCAQUXJYWWAA-UHFFFAOYSA-N 0 0 444.532 2.145 50 0 IEAARN Cn1nc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c2c1CCN(C(=O)C1CC1)C2 ZINC000064565729 568932611 /nfs/dbraw/zinc/93/26/11/568932611.db2.gz DIMSVZUONWNNBM-KRWDZBQOSA-N 0 0 435.528 2.206 50 0 IEAARN Cn1c(=O)c(N2CCN(C(=O)Nc3ccccc3Br)CC2)nc2cccnc21 ZINC000064567521 568933574 /nfs/dbraw/zinc/93/35/74/568933574.db2.gz GKVNRFKIGBRJGO-UHFFFAOYSA-N 0 0 443.305 2.445 50 0 IEAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)NCc1ccc2c(c1)OCO2 ZINC000064591388 568935344 /nfs/dbraw/zinc/93/53/44/568935344.db2.gz NFJVUZDFALUFLP-UHFFFAOYSA-N 0 0 449.442 2.387 50 0 IEAARN CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(C(=O)C=Cc3ccccc3)CC1)C2=O ZINC000207884242 568935646 /nfs/dbraw/zinc/93/56/46/568935646.db2.gz YLNSXXMGSZMBIA-FPLPWBNLSA-N 0 0 438.528 2.470 50 0 IEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000016682447 568937843 /nfs/dbraw/zinc/93/78/43/568937843.db2.gz UWRUZLRFVUKCSY-NXNYUAIASA-N 0 0 437.521 2.457 50 0 IEAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000036000108 568941738 /nfs/dbraw/zinc/94/17/38/568941738.db2.gz JAQHADQQUZOYAY-VFNWGFHPSA-N 0 0 446.523 2.282 50 0 IEAARN O=C(Cn1nc2ccc(Sc3ccccc3)nn2c1=O)NCc1ccc2c(c1)OCO2 ZINC000064710072 568944593 /nfs/dbraw/zinc/94/45/93/568944593.db2.gz GSIHHQGKCBYZTC-UHFFFAOYSA-N 0 0 435.465 2.087 50 0 IEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CC4)C(C)C)CC3)nn2)cc1 ZINC000036065244 568944788 /nfs/dbraw/zinc/94/47/88/568944788.db2.gz OOEZBQRPYQPUHO-UHFFFAOYSA-N 0 0 437.544 2.448 50 0 IEAARN CCNC(=O)N(CC)CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036062874 568944821 /nfs/dbraw/zinc/94/48/21/568944821.db2.gz CODRGTYIBUOUKW-UHFFFAOYSA-N 0 0 430.940 2.497 50 0 IEAARN O=C(NC[C@@H]1CCCO1)c1coc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)n1 ZINC000036073060 568945627 /nfs/dbraw/zinc/94/56/27/568945627.db2.gz QZRYIXQMZPWMGM-FQEVSTJZSA-N 0 0 446.523 2.057 50 0 IEAARN COCCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000036085835 568948299 /nfs/dbraw/zinc/94/82/99/568948299.db2.gz TVDPXYGCFQUHDR-OAHLLOKOSA-N 0 0 442.903 2.423 50 0 IEAARN COc1cccc(Cn2c(=O)c(C(=O)NCC(C)C)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086425 568948657 /nfs/dbraw/zinc/94/86/57/568948657.db2.gz HOTYRHCXVIGXCT-UHFFFAOYSA-N 0 0 436.512 2.454 50 0 IEAARN COCCCNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036087455 568948830 /nfs/dbraw/zinc/94/88/30/568948830.db2.gz ZHHLRFUGEOMPMS-UHFFFAOYSA-N 0 0 442.903 2.171 50 0 IEAARN COc1cccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3ccc(C)cc3)c2=O)c1 ZINC000036086723 568949026 /nfs/dbraw/zinc/94/90/26/568949026.db2.gz LQCJKCQDQHJPNY-UHFFFAOYSA-N 0 0 446.463 2.283 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086575 568949042 /nfs/dbraw/zinc/94/90/42/568949042.db2.gz VWOFGHSKSYXZLC-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN COCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086773 568949143 /nfs/dbraw/zinc/94/91/43/568949143.db2.gz QTZOMXMLXHWYBA-UHFFFAOYSA-N 0 0 442.903 2.171 50 0 IEAARN Cc1cccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087013 568949389 /nfs/dbraw/zinc/94/93/89/568949389.db2.gz DORXIBNPEMBLKD-UHFFFAOYSA-N 0 0 441.491 2.384 50 0 IEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NCc1ccccc1 ZINC000064817658 568964845 /nfs/dbraw/zinc/96/48/45/568964845.db2.gz VMQRMVJRDMJWTO-UHFFFAOYSA-N 0 0 449.486 2.192 50 0 IEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1ccc(C)cc1 ZINC000064817628 568964897 /nfs/dbraw/zinc/96/48/97/568964897.db2.gz RCJZKPZUEFTWFQ-UHFFFAOYSA-N 0 0 445.523 2.361 50 0 IEAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2oc1=O ZINC000064818867 568965381 /nfs/dbraw/zinc/96/53/81/568965381.db2.gz TXKSBDLNZIVBBY-UHFFFAOYSA-N 0 0 430.482 2.295 50 0 IEAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(SC)c2)cn1C ZINC000064818956 568965566 /nfs/dbraw/zinc/96/55/66/568965566.db2.gz RUOTXTGPJJSILN-INIZCTEOSA-N 0 0 437.543 2.325 50 0 IEAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(F)c2)cn1C ZINC000064819034 568965857 /nfs/dbraw/zinc/96/58/57/568965857.db2.gz GWQVDOMRZIHRPR-KRWDZBQOSA-N 0 0 437.493 2.441 50 0 IEAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)=O)cc2)cn1C ZINC000064818988 568965862 /nfs/dbraw/zinc/96/58/62/568965862.db2.gz URTDOKADYWBTNY-SFHVURJKSA-N 0 0 447.513 2.196 50 0 IEAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2C)cn1C ZINC000064819039 568965871 /nfs/dbraw/zinc/96/58/71/568965871.db2.gz VGUWVFODWPOJJG-QGZVFWFLSA-N 0 0 437.493 2.441 50 0 IEAARN O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)C2CCCC2)CC1)c1ccc(F)cc1 ZINC000036157407 568965986 /nfs/dbraw/zinc/96/59/86/568965986.db2.gz PCCNCKDHPNJVHW-OAQYLSRUSA-N 0 0 445.535 2.212 50 0 IEAARN COc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn32)c(OC)c1 ZINC000064836657 568969398 /nfs/dbraw/zinc/96/93/98/568969398.db2.gz VOYWLXOWEBGBAU-UHFFFAOYSA-N 0 0 443.529 2.479 50 0 IEAARN C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)N3CCN(c4ccccc4)CC3)s2)C1 ZINC000064836724 568969400 /nfs/dbraw/zinc/96/94/00/568969400.db2.gz HKHWEJUYHICDCK-INIZCTEOSA-N 0 0 438.557 2.350 50 0 IEAARN COc1ccc(OC)c(CNC(=O)c2cc(=O)nc3sc(N4CCC[C@@H](C)C4)nn32)c1 ZINC000064836908 568969591 /nfs/dbraw/zinc/96/95/91/568969591.db2.gz JUPVBUPDPMXFAC-CYBMUJFWSA-N 0 0 443.529 2.335 50 0 IEAARN Cc1ccc(C(=O)NCCCOC(C)C)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000006739200 568969981 /nfs/dbraw/zinc/96/99/81/568969981.db2.gz PJNJEWVTSKBJOE-IRXDYDNUSA-N 0 0 425.576 2.220 50 0 IEAARN Cc1cccc(N2CCN(CCNC(=O)c3ccc4c(c3)nc(C)c(=O)n4C)CC2)c1C ZINC000064858935 568972463 /nfs/dbraw/zinc/97/24/63/568972463.db2.gz FKIKTEVEXFIOOG-UHFFFAOYSA-N 0 0 433.556 2.411 50 0 IEAARN COC(=O)c1sc2nc(CN(C[C@H](O)COCc3ccco3)C(C)C)[nH]c(=O)c2c1C ZINC000036207539 568973239 /nfs/dbraw/zinc/97/32/39/568973239.db2.gz CUTJIWXDJCPAKJ-AWEZNQCLSA-N 0 0 449.529 2.461 50 0 IEAARN COCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036209275 568973706 /nfs/dbraw/zinc/97/37/06/568973706.db2.gz MQJJJKXJQVTGQY-FQEVSTJZSA-N 0 0 443.569 2.470 50 0 IEAARN CC(C)C(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCC2)CC1 ZINC000036211680 568975669 /nfs/dbraw/zinc/97/56/69/568975669.db2.gz YEILQHSDSIELQY-HXUWFJFHSA-N 0 0 429.517 2.031 50 0 IEAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccc(OC)cc2)C(=O)NCC(C)C)CC1 ZINC000036214457 568977297 /nfs/dbraw/zinc/97/72/97/568977297.db2.gz IPZCQDDKGVFMMG-LJQANCHMSA-N 0 0 434.606 2.172 50 0 IEAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000036214863 568977412 /nfs/dbraw/zinc/97/74/12/568977412.db2.gz SQTNSHAGNZIESG-FXAWDEMLSA-N 0 0 437.606 2.458 50 0 IEAARN NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000036228411 568978766 /nfs/dbraw/zinc/97/87/66/568978766.db2.gz RJDVBXLKEYZCMJ-UHFFFAOYSA-N 0 0 441.509 2.167 50 0 IEAARN 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556790257 /nfs/dbraw/zinc/79/02/57/556790257.db2.gz BFOITHXVZRGUFW-UHFFFAOYSA-N 0 0 444.391 2.359 50 0 IEAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000059292262 556797202 /nfs/dbraw/zinc/79/72/02/556797202.db2.gz NDDPQCOWAXEYMF-KRWDZBQOSA-N 0 0 433.530 2.308 50 0 IEAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000059291704 556797258 /nfs/dbraw/zinc/79/72/58/556797258.db2.gz GIKVNXQOOQNTRF-GOSISDBHSA-N 0 0 433.530 2.107 50 0 IEAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000059291706 556797307 /nfs/dbraw/zinc/79/73/07/556797307.db2.gz GIKVNXQOOQNTRF-SFHVURJKSA-N 0 0 433.530 2.107 50 0 IEAARN Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)no1 ZINC000059363892 556798888 /nfs/dbraw/zinc/79/88/88/556798888.db2.gz SQPWHFZQXCALGI-CQSZACIVSA-N 0 0 435.278 2.196 50 0 IEAARN CC(C)c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000002627817 556801066 /nfs/dbraw/zinc/80/10/66/556801066.db2.gz IQAAJGBNCKQKKU-UHFFFAOYSA-N 0 0 443.982 2.207 50 0 IEAARN O=C(Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1)NC1CC1 ZINC000059591463 556802931 /nfs/dbraw/zinc/80/29/31/556802931.db2.gz IHINCRQUYHNTQN-UHFFFAOYSA-N 0 0 442.541 2.258 50 0 IEAARN COc1ccc(Cc2nnc(NC(=O)C3CCN(C(=O)N(C)C)CC3)s2)cc1OC ZINC000059759795 556804267 /nfs/dbraw/zinc/80/42/67/556804267.db2.gz IDDXGCOZXOVATI-UHFFFAOYSA-N 0 0 433.534 2.478 50 0 IEAARN CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000060098227 556806360 /nfs/dbraw/zinc/80/63/60/556806360.db2.gz WUWUSGVBIYARHV-GOSISDBHSA-N 0 0 425.485 2.425 50 0 IEAARN COc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000003241009 556806560 /nfs/dbraw/zinc/80/65/60/556806560.db2.gz RIANBLVHOWPKLP-UHFFFAOYSA-N 0 0 430.457 2.345 50 0 IEAARN Cc1ccccc1CC(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000097943478 556813185 /nfs/dbraw/zinc/81/31/85/556813185.db2.gz KPMQZGSGGCBSCB-QFIPXVFZSA-N 0 0 445.523 2.385 50 0 IEAARN Cc1ccccc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000097943484 556813307 /nfs/dbraw/zinc/81/33/07/556813307.db2.gz NZLOWPRQGPWICZ-NRFANRHFSA-N 0 0 431.496 2.456 50 0 IEAARN Nn1c(SCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)nnc1-c1ccccc1 ZINC000003442381 556815763 /nfs/dbraw/zinc/81/57/63/556815763.db2.gz RULZNURZVHRXQO-QGZVFWFLSA-N 0 0 449.602 2.099 50 0 IEAARN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)cc1 ZINC000003510040 556817148 /nfs/dbraw/zinc/81/71/48/556817148.db2.gz WBNKDXKIEOPNPS-UHFFFAOYSA-N 0 0 433.486 2.182 50 0 IEAARN COc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003620561 556817968 /nfs/dbraw/zinc/81/79/68/556817968.db2.gz CWZGVKJFWWEGDE-UHFFFAOYSA-N 0 0 446.525 2.343 50 0 IEAARN O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000072403078 556821190 /nfs/dbraw/zinc/82/11/90/556821190.db2.gz LYARLEMGHWBVHG-CQSZACIVSA-N 0 0 437.422 2.347 50 0 IEAARN O=C1CCc2cc(S(=O)(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)cc3c2N1CC3 ZINC000206659108 556826743 /nfs/dbraw/zinc/82/67/43/556826743.db2.gz 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557241724 /nfs/dbraw/zinc/24/17/24/557241724.db2.gz HILIZPOPHGJMKQ-UHFFFAOYSA-N 0 0 429.429 2.157 50 0 IEAARN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl ZINC000000810275 557243192 /nfs/dbraw/zinc/24/31/92/557243192.db2.gz OLRSNFNQUOPJGF-UHFFFAOYSA-N 0 0 426.878 2.160 50 0 IEAARN O=C(CN1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1)Nc1ccccc1Cl ZINC000018148360 557243220 /nfs/dbraw/zinc/24/32/20/557243220.db2.gz HZDKUIZLUSASMP-UHFFFAOYSA-N 0 0 428.876 2.031 50 0 IEAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)c1C2 ZINC000604404003 557246564 /nfs/dbraw/zinc/24/65/64/557246564.db2.gz HUGDQATXPKEXQA-XUWXXGDYSA-N 0 0 436.512 2.471 50 0 biogenic IEAARN CC[C@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[C@H]1CCS(=O)(=O)C1 ZINC000018186658 557247004 /nfs/dbraw/zinc/24/70/04/557247004.db2.gz IQMNHOPLSIPFMC-WFASDCNBSA-N 0 0 432.336 2.455 50 0 IEAARN COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604404641 557247791 /nfs/dbraw/zinc/24/77/91/557247791.db2.gz 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COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)ccc1OC(C)=O ZINC000027022704 557255634 /nfs/dbraw/zinc/25/56/34/557255634.db2.gz OCUMXTPBZKSGPJ-BKUYFWCQSA-N 0 0 448.500 2.497 50 0 IEAARN CC(C)NC(=O)CNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000027134042 557257592 /nfs/dbraw/zinc/25/75/92/557257592.db2.gz GHMAGGSEEZSNEQ-UHFFFAOYSA-N 0 0 426.926 2.076 50 0 IEAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000027155979 557258261 /nfs/dbraw/zinc/25/82/61/557258261.db2.gz HJAICGVAVWHUCN-OAQYLSRUSA-N 0 0 435.528 2.243 50 0 IEAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000027155983 557258315 /nfs/dbraw/zinc/25/83/15/557258315.db2.gz HJAICGVAVWHUCN-NRFANRHFSA-N 0 0 435.528 2.243 50 0 IEAARN COc1cccc(N2C[C@@H](C(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)CC2=O)c1 ZINC000390831707 557258831 /nfs/dbraw/zinc/25/88/31/557258831.db2.gz UHEYSVDLVDCUSE-RXVVDRJESA-N 0 0 442.537 2.437 50 0 IEAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024940572 557260307 /nfs/dbraw/zinc/26/03/07/557260307.db2.gz SWYLKBQJFHANFU-KRWDZBQOSA-N 0 0 433.430 2.485 50 0 IEAARN Nc1c(C(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027372053 557261192 /nfs/dbraw/zinc/26/11/92/557261192.db2.gz CHTXWZDJRRRDFS-QGZVFWFLSA-N 0 0 428.539 2.407 50 0 IEAARN CCc1ccc(CN(C)C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000027534506 557264525 /nfs/dbraw/zinc/26/45/25/557264525.db2.gz NYDCRXJYHYXFSW-UHFFFAOYSA-N 0 0 446.569 2.480 50 0 IEAARN CC(C)[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000027633645 557267975 /nfs/dbraw/zinc/26/79/75/557267975.db2.gz IFLXNKRZEHYJRB-QHCPKHFHSA-N 0 0 425.533 2.273 50 0 IEAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H](C)C(=O)NC(C)C ZINC000011021506 557268628 /nfs/dbraw/zinc/26/86/28/557268628.db2.gz XJFMCYYFIXUVMA-AWEZNQCLSA-N 0 0 440.591 2.082 50 0 IEAARN COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000027663066 557269219 /nfs/dbraw/zinc/26/92/19/557269219.db2.gz 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CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 ZINC000015882339 568856374 /nfs/dbraw/zinc/85/63/74/568856374.db2.gz GYRYVBYNOHTRKZ-UHFFFAOYSA-N 0 0 445.589 2.122 50 0 IEAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(C)cc1C ZINC000015883760 568857962 /nfs/dbraw/zinc/85/79/62/568857962.db2.gz JKNJRCHXHJLGQC-UHFFFAOYSA-N 0 0 428.514 2.126 50 0 IEAARN CCc1ccc(NC(=O)CSc2c(COC)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000015883763 568857976 /nfs/dbraw/zinc/85/79/76/568857976.db2.gz COBXQFLEUSMUFP-UHFFFAOYSA-N 0 0 428.514 2.072 50 0 IEAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000012936154 568865157 /nfs/dbraw/zinc/86/51/57/568865157.db2.gz DVSKPUZKUBJWQU-GOSISDBHSA-N 0 0 445.479 2.395 50 0 IEAARN COc1ccccc1CNC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012936641 568865995 /nfs/dbraw/zinc/86/59/95/568865995.db2.gz XDUITUIIZCMYJY-KRWDZBQOSA-N 0 0 449.548 2.236 50 0 IEAARN Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000026171183 568866989 /nfs/dbraw/zinc/86/69/89/568866989.db2.gz QUJDCRXCXUCQEH-MRXNPFEDSA-N 0 0 433.468 2.271 50 0 IEAARN CCc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NCCOC)c(O)c3c2)cc1 ZINC000006181198 568867958 /nfs/dbraw/zinc/86/79/58/568867958.db2.gz HYLVLFBBJPHAMJ-UHFFFAOYSA-N 0 0 443.525 2.292 50 0 IEAARN COCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccccc3C)cc2c1O ZINC000006181282 568868179 /nfs/dbraw/zinc/86/81/79/568868179.db2.gz FEDBMHWCVOALBK-UHFFFAOYSA-N 0 0 429.498 2.038 50 0 IEAARN O=C(NCCc1ccccc1F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012944273 568870467 /nfs/dbraw/zinc/87/04/67/568870467.db2.gz OLYDJMVWRNGJHE-UHFFFAOYSA-N 0 0 427.448 2.363 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(CC(C)C)s1 ZINC000012946283 568871136 /nfs/dbraw/zinc/87/11/36/568871136.db2.gz PUGIVVYJAHUHTH-UHFFFAOYSA-N 0 0 440.547 2.018 50 0 IEAARN CC(=O)c1ccc(N2CCN(C(=O)NCc3cccnc3N3CCOCC3)CC2)c(F)c1 ZINC000026387029 568877275 /nfs/dbraw/zinc/87/72/75/568877275.db2.gz VOLKAVSWUUBYQY-UHFFFAOYSA-N 0 0 441.507 2.292 50 0 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ZINC000575620185 568882970 /nfs/dbraw/zinc/88/29/70/568882970.db2.gz OMCYDYMKMLZFDC-UHFFFAOYSA-N 0 0 428.558 2.039 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3cccs3)CC2)c(C)c1 ZINC000010021480 568884353 /nfs/dbraw/zinc/88/43/53/568884353.db2.gz NQOYVBSTCAAYDG-SOFGYWHQSA-N 0 0 448.566 2.454 50 0 IEAARN COC(=O)c1nn(C(C)(C)CC(C)=O)c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(O)c12 ZINC000227097002 568885771 /nfs/dbraw/zinc/88/57/71/568885771.db2.gz CEAKHTKIMZBGSD-DZGCQCFKSA-N 0 0 440.283 2.454 50 0 IEAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NO[C@H]3CCCCO3)ccc2Cl)C[C@H](C)O1 ZINC000229756478 568886711 /nfs/dbraw/zinc/88/67/11/568886711.db2.gz YSFUDNNBEJLFGG-AHIWAGSCSA-N 0 0 432.926 2.326 50 0 IEAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c(OC)c1 ZINC000012976676 568891153 /nfs/dbraw/zinc/89/11/53/568891153.db2.gz ICYRKGJEWMLQEF-UHFFFAOYSA-N 0 0 443.485 2.178 50 0 IEAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)c1 ZINC000090610290 568892207 /nfs/dbraw/zinc/89/22/07/568892207.db2.gz MSVVANSOBIFSRT-UHFFFAOYSA-N 0 0 434.606 2.005 50 0 IEAARN COc1ccc(OC)c(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1 ZINC000012981913 568894612 /nfs/dbraw/zinc/89/46/12/568894612.db2.gz ADNDCVMDCQFENP-UHFFFAOYSA-N 0 0 429.292 2.044 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1CCSC1=O ZINC000012985523 568895710 /nfs/dbraw/zinc/89/57/10/568895710.db2.gz VJDKVIOSSLZNMP-UHFFFAOYSA-N 0 0 427.548 2.367 50 0 IEAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3cc(OC)ccc3NC2=O)cc1 ZINC000035780136 568896378 /nfs/dbraw/zinc/89/63/78/568896378.db2.gz IONSZNNLTKXDEU-CMCWBKRRSA-N 0 0 433.464 2.135 50 0 biogenic IEAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012996262 568896858 /nfs/dbraw/zinc/89/68/58/568896858.db2.gz KOKUVVGUBKESRS-FQEVSTJZSA-N 0 0 435.524 2.256 50 0 IEAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)cc1F ZINC000012997802 568897077 /nfs/dbraw/zinc/89/70/77/568897077.db2.gz YHEFUVVWCIVPPM-UKRRQHHQSA-N 0 0 435.525 2.442 50 0 IEAARN CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)n1 ZINC000013001487 568898991 /nfs/dbraw/zinc/89/89/91/568898991.db2.gz PFUOYTOZCVTHIB-AWEZNQCLSA-N 0 0 441.506 2.180 50 0 IEAARN CC(C)CN(C(=O)C[C@H]1OC(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013009914 568899668 /nfs/dbraw/zinc/89/96/68/568899668.db2.gz ZYSIJZLPBXAYBU-MRXNPFEDSA-N 0 0 428.489 2.066 50 0 IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2)C1 ZINC000240744132 568911825 /nfs/dbraw/zinc/91/18/25/568911825.db2.gz HUUIQKBOPJBADX-CFLQYTFWSA-N 0 0 437.587 2.500 50 0 IEAARN COC(=O)[C@@](NC(C)=O)(N(Cc1ccc(OC)c(OC)c1)C[C@H]1CCCO1)C(F)(F)F ZINC000245227635 568913062 /nfs/dbraw/zinc/91/30/62/568913062.db2.gz LGBCFKQRFMNWSL-DNVCBOLYSA-N 0 0 448.438 2.253 50 0 IEAARN COc1ccc(OC[C@H](O)CN(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245229401 568913089 /nfs/dbraw/zinc/91/30/89/568913089.db2.gz WVPPMIXRLIUFKT-RBUKOAKNSA-N 0 0 435.542 2.133 50 0 IEAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000245343767 568915362 /nfs/dbraw/zinc/91/53/62/568915362.db2.gz ZHHSFQROYPHFRL-GDBMZVCRSA-N 0 0 430.954 2.435 50 0 IEAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000001864603 568917115 /nfs/dbraw/zinc/91/71/15/568917115.db2.gz DFEXORSWQCXJCB-UHFFFAOYSA-N 0 0 426.288 2.462 50 0 IEAARN COc1ccccc1N1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000089473871 568926565 /nfs/dbraw/zinc/92/65/65/568926565.db2.gz YENZORBBSZGFCS-UHFFFAOYSA-N 0 0 435.521 2.242 50 0 IEAARN Cc1nnc([C@@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)c2ccccc2)[nH]1 ZINC000089497079 568926955 /nfs/dbraw/zinc/92/69/55/568926955.db2.gz QSXSQZVRUSDYOM-SFHVURJKSA-N 0 0 429.502 2.048 50 0 IEAARN CC(C)(C)NC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000006515429 568928661 /nfs/dbraw/zinc/92/86/61/568928661.db2.gz GJCKRIITBYPNLV-SFHVURJKSA-N 0 0 425.485 2.195 50 0 IEAARN COc1ccccc1-n1c(=O)n(CC(=O)N2CCC[C@@H](C)C2)c(=O)c2c(C)cc(C)nc21 ZINC000064450245 568928700 /nfs/dbraw/zinc/92/87/00/568928700.db2.gz UFJITMADZQSFFW-OAHLLOKOSA-N 0 0 436.512 2.431 50 0 IEAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NCc4cccc(C)c4)cc32)no1 ZINC000064450625 568928716 /nfs/dbraw/zinc/92/87/16/568928716.db2.gz IXQMFKIBTQHNRZ-UHFFFAOYSA-N 0 0 428.470 2.091 50 0 IEAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4F)cc32)no1 ZINC000064450651 568928732 /nfs/dbraw/zinc/92/87/32/568928732.db2.gz HAAWTHATUDGBCL-UHFFFAOYSA-N 0 0 432.433 2.498 50 0 IEAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000064461980 568929720 /nfs/dbraw/zinc/92/97/20/568929720.db2.gz AAJPOTHVJUALDG-UHFFFAOYSA-N 0 0 446.529 2.204 50 0 IEAARN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035877134 568930768 /nfs/dbraw/zinc/93/07/68/568930768.db2.gz DDRMJOXRZHIKBO-LDNFRZNASA-N 0 0 432.318 2.474 50 0 IEAARN COc1ccc(CC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000064526144 568931214 /nfs/dbraw/zinc/93/12/14/568931214.db2.gz WHKUWNRYKYPEOW-UHFFFAOYSA-N 0 0 436.512 2.417 50 0 IEAARN CCOC(=O)C1CCN(C(=O)[C@H](C)N2c3ccccc3C(=O)N3CCCC[C@H]3C2=O)CC1 ZINC000064526816 568931400 /nfs/dbraw/zinc/93/14/00/568931400.db2.gz CPLDFRAVKTUPHO-JXFKEZNVSA-N 0 0 441.528 2.218 50 0 IEAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NCc1ccncc1)C2 ZINC000064565609 568932496 /nfs/dbraw/zinc/93/24/96/568932496.db2.gz CTEOQTAQCWCABK-UHFFFAOYSA-N 0 0 446.511 2.049 50 0 IEAARN Cc1ccccc1C(=O)N1CCc2c(c(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)nn2C)C1 ZINC000064565707 568932546 /nfs/dbraw/zinc/93/25/46/568932546.db2.gz BRQVRPKLQZREPP-KRWDZBQOSA-N 0 0 449.555 2.058 50 0 IEAARN Cc1cccc(C(=O)N2CCc3c(c(C(=O)N4CCC[C@@H](C(=O)NC5CC5)C4)nn3C)C2)c1 ZINC000064565710 568932638 /nfs/dbraw/zinc/93/26/38/568932638.db2.gz DQBHPGZKLHHCJX-GOSISDBHSA-N 0 0 449.555 2.058 50 0 IEAARN COc1cc(OC)cc(C(=O)N2CCc3c(c(-c4nnc(SC)n4C)nn3C)C2)c1 ZINC000064567080 568933362 /nfs/dbraw/zinc/93/33/62/568933362.db2.gz ZWIBFESXZDYWDX-UHFFFAOYSA-N 0 0 428.518 2.153 50 0 IEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CC4)C(C)C)CC3)nn2)c1 ZINC000036073916 568946401 /nfs/dbraw/zinc/94/64/01/568946401.db2.gz HOFPYAQZERNKRX-UHFFFAOYSA-N 0 0 437.544 2.448 50 0 IEAARN CCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036085194 568947738 /nfs/dbraw/zinc/94/77/38/568947738.db2.gz IZWRMLCOGLTPRW-UHFFFAOYSA-N 0 0 436.365 2.350 50 0 IEAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccncc3)nn(-c3ccccc3F)c2=O)cc1 ZINC000036085225 568947796 /nfs/dbraw/zinc/94/77/96/568947796.db2.gz CYOHSLLVENNNRA-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085524 568948031 /nfs/dbraw/zinc/94/80/31/568948031.db2.gz PCPAQFMUYWHSLZ-UHFFFAOYSA-N 0 0 434.427 2.413 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086504 568948063 /nfs/dbraw/zinc/94/80/63/568948063.db2.gz JVPRSBHAKBMXGG-UHFFFAOYSA-N 0 0 427.464 2.076 50 0 IEAARN O=C(c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccccc2F)c1=O)N1CCCC1 ZINC000036085679 568948093 /nfs/dbraw/zinc/94/80/93/568948093.db2.gz FEIYNQLZSMMJJZ-UHFFFAOYSA-N 0 0 428.851 2.471 50 0 IEAARN O=C(NCc1ccncc1)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036086034 568948460 /nfs/dbraw/zinc/94/84/60/568948460.db2.gz BTLIMVOAYWNYLQ-UHFFFAOYSA-N 0 0 447.882 2.421 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086486 568948621 /nfs/dbraw/zinc/94/86/21/568948621.db2.gz STOUKGBVGAUMQH-UHFFFAOYSA-N 0 0 427.464 2.076 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086574 568948968 /nfs/dbraw/zinc/94/89/68/568948968.db2.gz DKIQEXLIXUPUIN-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1 ZINC000036086709 568948978 /nfs/dbraw/zinc/94/89/78/568948978.db2.gz YTPVNNYHLPMPRF-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086553 568949038 /nfs/dbraw/zinc/94/90/38/568949038.db2.gz BRQIVZXXBKGRQK-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN CC(C)c1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087792 568949728 /nfs/dbraw/zinc/94/97/28/568949728.db2.gz BZLNRSXBCRGNDA-OAQYLSRUSA-N 0 0 448.523 2.475 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3cccc(Cl)c3)c2=O)cc1F ZINC000036088916 568950128 /nfs/dbraw/zinc/95/01/28/568950128.db2.gz DOSUSDXPVRACNV-UHFFFAOYSA-N 0 0 428.851 2.436 50 0 IEAARN COc1cccc(Cn2c(=O)c(C(=O)NC3CC3)nn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000036089315 568950399 /nfs/dbraw/zinc/95/03/99/568950399.db2.gz CDLLUHXYNZMCPY-UHFFFAOYSA-N 0 0 440.887 2.305 50 0 IEAARN O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000036092077 568950626 /nfs/dbraw/zinc/95/06/26/568950626.db2.gz YZAJBQKGUZTHMP-JOCHJYFZSA-N 0 0 438.503 2.116 50 0 IEAARN Cc1cc(C)cc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093935 568950853 /nfs/dbraw/zinc/95/08/53/568950853.db2.gz ZLUSJNVOXIBAAC-UHFFFAOYSA-N 0 0 441.491 2.384 50 0 IEAARN CNC(=O)CSc1cnn(CC(=O)NCc2cccc(C(F)(F)F)c2)c(=O)c1Cl ZINC000064755613 568951178 /nfs/dbraw/zinc/95/11/78/568951178.db2.gz BKGKYTDQQJCFHY-UHFFFAOYSA-N 0 0 448.854 2.070 50 0 IEAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 ZINC000036108727 568953733 /nfs/dbraw/zinc/95/37/33/568953733.db2.gz FLWKQCFNBFFNOE-OAQYLSRUSA-N 0 0 439.537 2.053 50 0 IEAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CC(=O)N4CCc5ccccc5[C@H]4C3)ccc21 ZINC000036108755 568953761 /nfs/dbraw/zinc/95/37/61/568953761.db2.gz KTMCAYURPHOMKN-JOCHJYFZSA-N 0 0 439.537 2.116 50 0 IEAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 ZINC000006721390 568963304 /nfs/dbraw/zinc/96/33/04/568963304.db2.gz GVRMMXQISNKBFS-INIZCTEOSA-N 0 0 429.521 2.164 50 0 IEAARN Cc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000064817782 568964945 /nfs/dbraw/zinc/96/49/45/568964945.db2.gz SUQHJGMORSEAEX-UHFFFAOYSA-N 0 0 430.512 2.339 50 0 IEAARN CCCC(=O)OC[C@@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156594 568965470 /nfs/dbraw/zinc/96/54/70/568965470.db2.gz KHBGDWWRICKEHI-AWEZNQCLSA-N 0 0 437.562 2.016 50 0 IEAARN COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccco3)C3CCCC3)ccc21 ZINC000064818803 568965502 /nfs/dbraw/zinc/96/55/02/568965502.db2.gz OFFOXDIXUXTLMJ-UHFFFAOYSA-N 0 0 434.470 2.494 50 0 IEAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCCC2)cn1C ZINC000064818998 568965808 /nfs/dbraw/zinc/96/58/08/568965808.db2.gz LTFMLYARDXCACN-KRWDZBQOSA-N 0 0 425.551 2.194 50 0 IEAARN COCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036158168 568966625 /nfs/dbraw/zinc/96/66/25/568966625.db2.gz XNRFWUHQMYSBEY-LJQANCHMSA-N 0 0 447.532 2.301 50 0 IEAARN COc1ccc(CNC(=O)c2cc(=O)nc3sc(N4CCC(C)CC4)nn32)c(OC)c1 ZINC000064836413 568969433 /nfs/dbraw/zinc/96/94/33/568969433.db2.gz YOGBIRJUUQKMSO-UHFFFAOYSA-N 0 0 443.529 2.335 50 0 IEAARN CCOC(=O)c1sc2[nH]c(CN(Cc3ccccc3)C[C@@H](O)COC)nc(=O)c2c1C ZINC000036207215 568973088 /nfs/dbraw/zinc/97/30/88/568973088.db2.gz LSBVIRHUNYHRGC-MRXNPFEDSA-N 0 0 445.541 2.479 50 0 IEAARN 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CC(=O)NC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C1 ZINC000253418777 569266677 /nfs/dbraw/zinc/26/66/77/569266677.db2.gz SXUHKLZQPGPNHC-LJQANCHMSA-N 0 0 429.542 2.072 50 0 IEAARN CC(C)(C)CC(=O)NCC(=O)O[C@@H]1CCCC[C@@H]1OC(=O)CNC(=O)CC(C)(C)C ZINC000253419720 569266758 /nfs/dbraw/zinc/26/67/58/569266758.db2.gz RILTXQZGSSEYBX-IYBDPMFKSA-N 0 0 426.554 2.489 50 0 IEAARN COc1ccc(C2(C(=O)N3C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C3)CCCC2)cc1 ZINC000253427505 569267362 /nfs/dbraw/zinc/26/73/62/569267362.db2.gz VDVYIXRZEVFKBV-VQTJNVASSA-N 0 0 432.561 2.352 50 0 IEAARN O=C(Cn1ncn2nccc2c1=O)Nc1ccnc2c(Cl)cc(Br)cc12 ZINC000253432765 569269319 /nfs/dbraw/zinc/26/93/19/569269319.db2.gz NSGGJXYGFBENMR-UHFFFAOYSA-N 0 0 433.653 2.494 50 0 IEAARN O=C(CNC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000027572538 569273687 /nfs/dbraw/zinc/27/36/87/569273687.db2.gz LUSHXZKYKVYKQI-HNNXBMFYSA-N 0 0 430.455 2.370 50 0 IEAARN CC(C)OC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 ZINC000002342552 569275161 /nfs/dbraw/zinc/27/51/61/569275161.db2.gz NIPBFHZVDSICPU-UHFFFAOYSA-N 0 0 425.470 2.369 50 0 IEAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000017958705 569282595 /nfs/dbraw/zinc/28/25/95/569282595.db2.gz MHILWUFOOLFWPA-GASCZTMLSA-N 0 0 448.317 2.154 50 0 IEAARN COC(=O)c1ccc(-c2ccc([C@H](CC(N)=O)C3C(=O)NC=C(C(=O)OC)C3=O)o2)cc1 ZINC000253623600 569284439 /nfs/dbraw/zinc/28/44/39/569284439.db2.gz AOQCSSKOOXIEHC-ZDUSSCGKSA-N 0 0 440.408 2.333 50 0 biogenic IEAARN COc1ccc(CN(CC(=O)N2CCc3ccccc3C2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027649088 569288487 /nfs/dbraw/zinc/28/84/87/569288487.db2.gz WWDUDWCZQGBZJR-OAQYLSRUSA-N 0 0 428.554 2.269 50 0 IEAARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000253414842 569289124 /nfs/dbraw/zinc/28/91/24/569289124.db2.gz YUBUUOLJIKWQOF-SIXWZSSISA-N 0 0 435.546 2.055 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)CC2)cc1 ZINC000002376688 569289394 /nfs/dbraw/zinc/28/93/94/569289394.db2.gz ORFWBVLGYWZVPY-FQEVSTJZSA-N 0 0 437.606 2.309 50 0 IEAARN COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NC(C)(C)CO ZINC000002380174 569290188 /nfs/dbraw/zinc/29/01/88/569290188.db2.gz PGLROZLUUZKITB-UHFFFAOYSA-N 0 0 441.513 2.311 50 0 IEAARN COCCNS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1OC ZINC000002386528 569295068 /nfs/dbraw/zinc/29/50/68/569295068.db2.gz RCDCXMPRMRBZLY-UHFFFAOYSA-N 0 0 427.486 2.186 50 0 IEAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000009676867 569297742 /nfs/dbraw/zinc/29/77/42/569297742.db2.gz JQHPZIMIERCPHS-OAHLLOKOSA-N 0 0 430.526 2.473 50 0 IEAARN CCSc1nnc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)s1 ZINC000009820981 569298129 /nfs/dbraw/zinc/29/81/29/569298129.db2.gz RQRYHPQPPFNZAP-UHFFFAOYSA-N 0 0 438.531 2.149 50 0 IEAARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225421864 569299804 /nfs/dbraw/zinc/29/98/04/569299804.db2.gz PHWAKMMQCNVRPB-SQNIBIBYSA-N 0 0 427.574 2.435 50 0 biogenic IEAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)C1 ZINC000010708627 569300718 /nfs/dbraw/zinc/30/07/18/569300718.db2.gz VDAZXJXJMWVWFO-AWEZNQCLSA-N 0 0 437.543 2.007 50 0 IEAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000010708760 569300739 /nfs/dbraw/zinc/30/07/39/569300739.db2.gz YACHUBCMRZUARF-UHFFFAOYSA-N 0 0 439.559 2.397 50 0 IEAARN CCn1nnc2cc(C(=O)OCc3nc(CC(=O)Nc4ccccc4OC)no3)ccc21 ZINC000010855880 569301457 /nfs/dbraw/zinc/30/14/57/569301457.db2.gz LWRQUPUEPCOIJR-UHFFFAOYSA-N 0 0 436.428 2.381 50 0 IEAARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000013032006 569307467 /nfs/dbraw/zinc/30/74/67/569307467.db2.gz NGCCYMSGIQSXFF-IBGZPJMESA-N 0 0 439.553 2.044 50 0 IEAARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000013032003 569307481 /nfs/dbraw/zinc/30/74/81/569307481.db2.gz NGCCYMSGIQSXFF-LJQANCHMSA-N 0 0 439.553 2.044 50 0 IEAARN CCC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000013039941 569307947 /nfs/dbraw/zinc/30/79/47/569307947.db2.gz METYCDWHCWJLQT-AWEZNQCLSA-N 0 0 437.484 2.196 50 0 IEAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000013040883 569308169 /nfs/dbraw/zinc/30/81/69/569308169.db2.gz XRZQGVGYWQKBKM-MRXNPFEDSA-N 0 0 434.514 2.431 50 0 IEAARN COc1ccc2c(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc(=O)oc2c1 ZINC000013042503 569308223 /nfs/dbraw/zinc/30/82/23/569308223.db2.gz BQHDLCJZQBABLN-QFIPXVFZSA-N 0 0 436.464 2.286 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)cc1 ZINC000013096687 569309547 /nfs/dbraw/zinc/30/95/47/569309547.db2.gz OWHHVZUQXUOGEW-SFHVURJKSA-N 0 0 447.582 2.194 50 0 IEAARN CC(C)(C)NC(=O)CN1CCCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000007951625 569312322 /nfs/dbraw/zinc/31/23/22/569312322.db2.gz LODMHFWWISEWLC-UHFFFAOYSA-N 0 0 426.355 2.277 50 0 IEAARN CC(C)CCNC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)sc2SCC1=O ZINC000013357496 569313710 /nfs/dbraw/zinc/31/37/10/569313710.db2.gz BXGQCRJZUCSESX-UHFFFAOYSA-N 0 0 431.605 2.134 50 0 IEAARN COc1cc(Cc2nnc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc(OC)c1OC ZINC000013364036 569314131 /nfs/dbraw/zinc/31/41/31/569314131.db2.gz UFLZLKMXZIWOHT-UHFFFAOYSA-N 0 0 427.413 2.345 50 0 IEAARN Cc1nc(Cn2nnc(N3C(=O)CN(Cc4cccc(Br)c4)C3=O)c2C)no1 ZINC000328594938 569317683 /nfs/dbraw/zinc/31/76/83/569317683.db2.gz GHDIBAFCKGWOEU-UHFFFAOYSA-N 0 0 446.265 2.058 50 0 IEAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000078752143 569318909 /nfs/dbraw/zinc/31/89/09/569318909.db2.gz FQMYSZIEQBEXJR-NQIIRXRSSA-N 0 0 446.567 2.125 50 0 IEAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000078870261 569319629 /nfs/dbraw/zinc/31/96/29/569319629.db2.gz PCDWNCKINLERJN-MSOLQXFVSA-N 0 0 430.592 2.143 50 0 IEAARN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccc3ccccc32)s1 ZINC000078875874 569319670 /nfs/dbraw/zinc/31/96/70/569319670.db2.gz MPIGOLWKUFIZNW-UHFFFAOYSA-N 0 0 445.566 2.474 50 0 IEAARN COC(=O)c1ccc(-c2nnn(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)n2)cc1 ZINC000078876876 569319898 /nfs/dbraw/zinc/31/98/98/569319898.db2.gz SYZNQABRWFQVCK-UHFFFAOYSA-N 0 0 434.456 2.282 50 0 IEAARN NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1I ZINC000078879322 569320014 /nfs/dbraw/zinc/32/00/14/569320014.db2.gz MHHYCOMVBFCIML-KCJUWKMLSA-N 0 0 437.075 2.438 50 0 IEAARN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000078932281 569320249 /nfs/dbraw/zinc/32/02/49/569320249.db2.gz VUKZJBPOSVOTKS-KRWDZBQOSA-N 0 0 433.555 2.144 50 0 IEAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)c1ccccc1 ZINC000079019870 569322323 /nfs/dbraw/zinc/32/23/23/569322323.db2.gz MEBKKBCPVDGIMB-HKUYNNGSSA-N 0 0 429.542 2.176 50 0 IEAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)c1ccccc1 ZINC000079019879 569322330 /nfs/dbraw/zinc/32/23/30/569322330.db2.gz MEBKKBCPVDGIMB-MJGOQNOKSA-N 0 0 429.542 2.176 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000019597315 569322948 /nfs/dbraw/zinc/32/29/48/569322948.db2.gz KEYXBPJENDHXSG-UHFFFAOYSA-N 0 0 438.889 2.224 50 0 IEAARN CN1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079076056 569324752 /nfs/dbraw/zinc/32/47/52/569324752.db2.gz XZARIVRHRJKGDL-KRWDZBQOSA-N 0 0 433.509 2.316 50 0 IEAARN Cc1ccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)cc1NC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000079107214 569325868 /nfs/dbraw/zinc/32/58/68/569325868.db2.gz AVZNPXKDMQBTCV-HUUCEWRRSA-N 0 0 434.541 2.038 50 0 IEAARN CCc1ccc(C(=O)N(C)Cc2ccc(O)c(OC)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000079109758 569325971 /nfs/dbraw/zinc/32/59/71/569325971.db2.gz WAQMOBDVPHYRJB-UHFFFAOYSA-N 0 0 448.541 2.256 50 0 IEAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCC(N)=O)c(OC)c1 ZINC000079188844 569327783 /nfs/dbraw/zinc/32/77/83/569327783.db2.gz FEQOZWRQPASHRV-NQIIRXRSSA-N 0 0 439.420 2.122 50 0 biogenic IEAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C ZINC000079192530 569328045 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COCCN(C(=O)c1cc2c(cccc2F)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009222512 569512716 /nfs/dbraw/zinc/51/27/16/569512716.db2.gz CIMHTZDCBLYEET-UHFFFAOYSA-N 0 0 434.493 2.422 50 0 IEAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC(=O)NCCC2=CCCCC2)C1=O ZINC000009222627 569512763 /nfs/dbraw/zinc/51/27/63/569512763.db2.gz MUCNFXVQCCIUJV-OAQYLSRUSA-N 0 0 434.443 2.448 50 0 IEAARN CCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000009223729 569512994 /nfs/dbraw/zinc/51/29/94/569512994.db2.gz GFMYAXWZATYVLZ-HOTGVXAUSA-N 0 0 445.541 2.487 50 0 IEAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cccc(SC)c3)c2N)c1 ZINC000009226941 569513343 /nfs/dbraw/zinc/51/33/43/569513343.db2.gz KTXRPPAVZCCRAC-UHFFFAOYSA-N 0 0 442.501 2.490 50 0 IEAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccncc3)c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000009242811 569514708 /nfs/dbraw/zinc/51/47/08/569514708.db2.gz ZDSHNABCTJAVDT-LJQANCHMSA-N 0 0 433.464 2.476 50 0 IEAARN CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nnc(C3CC3)n2C)ccc1Cl ZINC000009245569 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429.458 2.258 50 0 IEAARN CCCCN(C(=O)CSc1nc2ccccc2c2nc(C)nn21)[C@@H]1CCS(=O)(=O)C1 ZINC000009256001 569516733 /nfs/dbraw/zinc/51/67/33/569516733.db2.gz NNKOEXUCPPZJDP-OAHLLOKOSA-N 0 0 447.586 2.494 50 0 IEAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000009265732 569517339 /nfs/dbraw/zinc/51/73/39/569517339.db2.gz HPXBOXIIWDVLLF-INIZCTEOSA-N 0 0 440.529 2.123 50 0 IEAARN C[C@H]1Sc2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2NC1=O ZINC000009284564 569519067 /nfs/dbraw/zinc/51/90/67/569519067.db2.gz FEPAZMSXDONJIM-CYBMUJFWSA-N 0 0 447.538 2.393 50 0 IEAARN COc1ccc(CCNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)c(OC)c1 ZINC000009287947 569519311 /nfs/dbraw/zinc/51/93/11/569519311.db2.gz JGXQSLLMITZVQI-INIZCTEOSA-N 0 0 445.545 2.010 50 0 IEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000009300568 569520618 /nfs/dbraw/zinc/52/06/18/569520618.db2.gz JYVGYWBLUIGRJT-UHFFFAOYSA-N 0 0 440.547 2.304 50 0 IEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000009300974 569520707 /nfs/dbraw/zinc/52/07/07/569520707.db2.gz CDQMHVMSVGWVLG-CYBMUJFWSA-N 0 0 433.530 2.407 50 0 IEAARN COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000009301697 569520754 /nfs/dbraw/zinc/52/07/54/569520754.db2.gz AAEBSUJKJNRTHR-MRXNPFEDSA-N 0 0 428.514 2.125 50 0 IEAARN C[C@H]1CCCc2sc3c(c21)-c1ncnn1-c1nnc(SCC(=O)N2CCOCC2)n1-3 ZINC000009307885 569521465 /nfs/dbraw/zinc/52/14/65/569521465.db2.gz BVTPHVHGSMOOGT-NSHDSACASA-N 0 0 443.558 2.281 50 0 IEAARN COC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009308560 569521485 /nfs/dbraw/zinc/52/14/85/569521485.db2.gz KTERQALQFMRNAJ-UHFFFAOYSA-N 0 0 447.426 2.268 50 0 IEAARN Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069846074 569521488 /nfs/dbraw/zinc/52/14/88/569521488.db2.gz NSKPKPUAHJXSIJ-HOTGVXAUSA-N 0 0 440.548 2.301 50 0 IEAARN 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IPQPSPKSNLPJTB-GFCCVEGCSA-N 0 0 425.432 2.491 50 0 IEAARN COc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036059941 525422709 /nfs/dbraw/zinc/42/27/09/525422709.db2.gz OOBZUDOSEZQXER-MOPGFXCFSA-N 0 0 426.469 2.311 50 0 IEAARN COc1ccc2c(CC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)coc2c1 ZINC000012695730 525498753 /nfs/dbraw/zinc/49/87/53/525498753.db2.gz MIEXEMXQRBUVCX-UHFFFAOYSA-N 0 0 434.452 2.127 50 0 IEAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000035431212 525516315 /nfs/dbraw/zinc/51/63/15/525516315.db2.gz CLUCOWKYWVKAQJ-NRFANRHFSA-N 0 0 441.553 2.332 50 0 IEAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000035431215 525516922 /nfs/dbraw/zinc/51/69/22/525516922.db2.gz CLUCOWKYWVKAQJ-OAQYLSRUSA-N 0 0 441.553 2.332 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000034856319 525542012 /nfs/dbraw/zinc/54/20/12/525542012.db2.gz RLXXBWFRAOCDHO-HXUWFJFHSA-N 0 0 429.586 2.439 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000012750467 525543092 /nfs/dbraw/zinc/54/30/92/525543092.db2.gz WFOVAINCRPYETO-OAQYLSRUSA-N 0 0 431.533 2.460 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000012342406 525546573 /nfs/dbraw/zinc/54/65/73/525546573.db2.gz VYNZRVQOHMONFB-UHFFFAOYSA-N 0 0 436.555 2.197 50 0 IEAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccn(C)n1 ZINC000024478106 525555531 /nfs/dbraw/zinc/55/55/31/525555531.db2.gz OFNNNWFIUPOATL-CYBMUJFWSA-N 0 0 447.380 2.221 50 0 IEAARN Cc1c(C)c2c(OCC(=O)N[C@H]3C=CS(=O)(=O)C3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012897676 525676177 /nfs/dbraw/zinc/67/61/77/525676177.db2.gz GAVQTVQQDRPEBV-AWEZNQCLSA-N 0 0 447.509 2.319 50 0 biogenic IEAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000012559736 525750868 /nfs/dbraw/zinc/75/08/68/525750868.db2.gz GMGLUMGKJUEXQH-UHFFFAOYSA-N 0 0 447.992 2.349 50 0 IEAARN Cc1c(Cl)cccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021869792 525759720 /nfs/dbraw/zinc/75/97/20/525759720.db2.gz ATFCYCHGKMKASD-IBGZPJMESA-N 0 0 427.954 2.074 50 0 IEAARN Cc1ccc(-c2cn3c4c(nc3n2-c2ccc(CCO)cc2)n(C)c(=O)n(C)c4=O)cc1 ZINC000012461993 525767912 /nfs/dbraw/zinc/76/79/12/525767912.db2.gz HQPOEZXNSASDDY-UHFFFAOYSA-N 0 0 429.480 2.186 50 0 IEAARN Cc1ccc(-c2cn3c4c(nc3n2C[C@H](O)c2ccccc2)n(C)c(=O)n(C)c4=O)cc1 ZINC000012461984 525768070 /nfs/dbraw/zinc/76/80/70/525768070.db2.gz DXXDSRCRXURMHB-IBGZPJMESA-N 0 0 429.480 2.395 50 0 IEAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012696448 525769508 /nfs/dbraw/zinc/76/95/08/525769508.db2.gz OPYJGHJDTZCADI-UHFFFAOYSA-N 0 0 428.489 2.467 50 0 IEAARN Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 ZINC000014755110 525772264 /nfs/dbraw/zinc/77/22/64/525772264.db2.gz YCJLQNQWEUHHHX-JVPBZIDWSA-N 0 0 442.903 2.186 50 0 IEAARN Cc1c(Cl)cccc1S(=O)(=O)N(C)CCn1cc(C(=O)N2CCCCC2)nn1 ZINC000012451806 525783045 /nfs/dbraw/zinc/78/30/45/525783045.db2.gz VPZYASTXTOLJNO-UHFFFAOYSA-N 0 0 425.942 2.187 50 0 IEAARN C[C@@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1cc(F)ccc1F ZINC000021528414 525794190 /nfs/dbraw/zinc/79/41/90/525794190.db2.gz XXVVAFGBACOIGJ-FQEVSTJZSA-N 0 0 443.516 2.171 50 0 IEAARN COc1cccc(C(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C(=O)C3=O)CC2)c1 ZINC000035376406 525794404 /nfs/dbraw/zinc/79/44/04/525794404.db2.gz FZORHAMBULPHLL-UHFFFAOYSA-N 0 0 435.524 2.479 50 0 IEAARN C[C@@]1(C(=O)NC2CCCCCC2)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(F)c1 ZINC000021528425 525794633 /nfs/dbraw/zinc/79/46/33/525794633.db2.gz UEKAFKPOIGPZNR-NRFANRHFSA-N 0 0 439.553 2.027 50 0 IEAARN COc1cccc(C(=O)N2CCC3(CC2)N[C@@H](C)C(=O)N3Cc2ccc3c(c2)OCO3)c1 ZINC000036024182 525798119 /nfs/dbraw/zinc/79/81/19/525798119.db2.gz NTZXHFFARCRDFP-INIZCTEOSA-N 0 0 437.496 2.377 50 0 IEAARN Cc1c(N2CCC(C(=O)NCc3cccs3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258763 525822741 /nfs/dbraw/zinc/82/27/41/525822741.db2.gz MSMUKXBDHXXSHJ-UHFFFAOYSA-N 0 0 438.553 2.439 50 0 IEAARN C[C@@]1(C2CCN(C(=O)C=Cc3c[nH]cn3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000012167768 525823372 /nfs/dbraw/zinc/82/33/72/525823372.db2.gz NXBZLLJTGXSHJI-JXSPYEIYSA-N 0 0 433.512 2.139 50 0 IEAARN Cc1ccsc1CCNC(=O)Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000020994762 525832744 /nfs/dbraw/zinc/83/27/44/525832744.db2.gz YBGKUYAGGXNWIE-UHFFFAOYSA-N 0 0 430.555 2.363 50 0 IEAARN C[C@@]1(CSc2ccccc2C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)NC1=O ZINC000012913498 525856469 /nfs/dbraw/zinc/85/64/69/525856469.db2.gz KMBZHGOIROTORR-QFIPXVFZSA-N 0 0 441.509 2.121 50 0 IEAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4cnc5sccn5c4=O)CC3)n2)cc1 ZINC000012766088 525877149 /nfs/dbraw/zinc/87/71/49/525877149.db2.gz PMHQLBIAWWXTKM-UHFFFAOYSA-N 0 0 436.497 2.072 50 0 IEAARN C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012907401 525887048 /nfs/dbraw/zinc/88/70/48/525887048.db2.gz AYIPYSHOCHFCCM-QKVFXAPYSA-N 0 0 425.466 2.285 50 0 IEAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O ZINC000022792074 525892054 /nfs/dbraw/zinc/89/20/54/525892054.db2.gz DWIVDNFYQRWVRZ-QFIPXVFZSA-N 0 0 442.541 2.062 50 0 IEAARN COc1cccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1OC ZINC000012875852 525910761 /nfs/dbraw/zinc/91/07/61/525910761.db2.gz CWVZHDOZDKDGKF-MRXNPFEDSA-N 0 0 426.469 2.487 50 0 IEAARN C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000014537549 525914558 /nfs/dbraw/zinc/91/45/58/525914558.db2.gz BNMFHFUDXWMXQE-YSGRDPCXSA-N 0 0 441.915 2.097 50 0 IEAARN Cc1c2ccccc2oc1C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012746023 525975723 /nfs/dbraw/zinc/97/57/23/525975723.db2.gz NJSLLYVGXMDDQL-JOCHJYFZSA-N 0 0 430.424 2.367 50 0 IEAARN COc1cccc(CNC(=O)Cc2cc(=O)[nH]c(SCC(=O)NC3CCCC3)n2)c1 ZINC000022629608 525976677 /nfs/dbraw/zinc/97/66/77/525976677.db2.gz YEGXBECACPLRTL-UHFFFAOYSA-N 0 0 430.530 2.201 50 0 IEAARN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012858667 525982331 /nfs/dbraw/zinc/98/23/31/525982331.db2.gz HEFXRTINFPMTAU-HZPDHXFCSA-N 0 0 433.496 2.182 50 0 IEAARN Cc1c[nH]c(CN(C)C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)n1 ZINC000012300054 526001810 /nfs/dbraw/zinc/00/18/10/526001810.db2.gz HIJCYFZLIWLYOH-UHFFFAOYSA-N 0 0 440.953 2.447 50 0 IEAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)Nc1sccc1C(N)=O ZINC000021605243 526002341 /nfs/dbraw/zinc/00/23/41/526002341.db2.gz BJRJADXZTNJJHS-LLVKDONJSA-N 0 0 432.527 2.059 50 0 IEAARN Cc1cc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)nn1C ZINC000012443145 526060212 /nfs/dbraw/zinc/06/02/12/526060212.db2.gz FOPLEQKEEJLGOQ-CYBMUJFWSA-N 0 0 436.519 2.022 50 0 IEAARN COc1cccc(COc2cn(C)c(C(=O)N3CCN(c4ccccn4)CC3)cc2=O)c1 ZINC000012167416 526061602 /nfs/dbraw/zinc/06/16/02/526061602.db2.gz PBURZSBJTSXFLO-UHFFFAOYSA-N 0 0 434.496 2.330 50 0 IEAARN CSc1cccc(NC(=O)Cn2nc3c4sc(N5CCCC5)nc4ncn3c2=O)c1 ZINC000033309094 526117091 /nfs/dbraw/zinc/11/70/91/526117091.db2.gz PEYKNPIEGAGPKM-UHFFFAOYSA-N 0 0 441.542 2.462 50 0 IEAARN COc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)CC2)c1 ZINC000035431298 526150754 /nfs/dbraw/zinc/15/07/54/526150754.db2.gz ZSZPWBRVGNBSGS-UHFFFAOYSA-N 0 0 446.573 2.171 50 0 IEAARN Cc1cc(Br)ccc1NC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O ZINC000012727611 526167748 /nfs/dbraw/zinc/16/77/48/526167748.db2.gz ABVDGHBWOQVZNM-FMKPAKJESA-N 0 0 444.351 2.103 50 0 IEAARN Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1 ZINC000035279541 526207236 /nfs/dbraw/zinc/20/72/36/526207236.db2.gz DTZIYHCBNORZDW-HXUWFJFHSA-N 0 0 445.585 2.473 50 0 IEAARN Cc1cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccon1 ZINC000021625045 526216048 /nfs/dbraw/zinc/21/60/48/526216048.db2.gz YAXBTBKHSWYLJH-CYBMUJFWSA-N 0 0 436.515 2.417 50 0 IEAARN CSc1nc2nc(C)c(CCC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c(C)n2n1 ZINC000018100569 526217696 /nfs/dbraw/zinc/21/76/96/526217696.db2.gz DXEYQVYGNUHOMD-UHFFFAOYSA-N 0 0 437.529 2.291 50 0 IEAARN C[C@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC(=O)c1ccccc1 ZINC000012799830 526228381 /nfs/dbraw/zinc/22/83/81/526228381.db2.gz AOFQXYPVCZBQTB-QGZVFWFLSA-N 0 0 426.492 2.117 50 0 IEAARN Cc1ccc(C(=O)O[C@@H]2C[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O[C@@H]2CO)cc1 ZINC000012447639 526238311 /nfs/dbraw/zinc/23/83/11/526238311.db2.gz NXWFPHFVYAGVET-SBHAEUEKSA-N 0 0 449.463 2.309 50 0 IEAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1C ZINC000022176771 526240850 /nfs/dbraw/zinc/24/08/50/526240850.db2.gz FBZKEMWQGRGFEI-INIZCTEOSA-N 0 0 446.525 2.216 50 0 IEAARN Cc1nn(CCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029921 526277630 /nfs/dbraw/zinc/27/76/30/526277630.db2.gz ZSPLOFYKNUYEFK-FQEVSTJZSA-N 0 0 446.573 2.105 50 0 IEAARN Cc1nn(CCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029075 526278042 /nfs/dbraw/zinc/27/80/42/526278042.db2.gz WJIZABORWSPQLZ-UHFFFAOYSA-N 0 0 434.518 2.084 50 0 IEAARN Cc1nn(CCC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029967 526278126 /nfs/dbraw/zinc/27/81/26/526278126.db2.gz 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ZINC000009830870 556311888 /nfs/dbraw/zinc/31/18/88/556311888.db2.gz JVIGXWVWXRGWGB-GASCZTMLSA-N 0 0 447.513 2.171 50 0 IEAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCCCC2)C1 ZINC000009830879 556311929 /nfs/dbraw/zinc/31/19/29/556311929.db2.gz HBSZIENSVDCTET-HOTGVXAUSA-N 0 0 435.546 2.274 50 0 IEAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000032753076 556314182 /nfs/dbraw/zinc/31/41/82/556314182.db2.gz YWWOSYYNIJHAKT-VQTJNVASSA-N 0 0 441.528 2.412 50 0 IEAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032747055 556315680 /nfs/dbraw/zinc/31/56/80/556315680.db2.gz INTPDOSGHBORMH-CQSZACIVSA-N 0 0 448.497 2.318 50 0 IEAARN COc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 ZINC000032753373 556322453 /nfs/dbraw/zinc/32/24/53/556322453.db2.gz UWIGATDDADYCCC-UHFFFAOYSA-N 0 0 434.562 2.082 50 0 IEAARN COCCNC(=O)C1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000032754395 556323405 /nfs/dbraw/zinc/32/34/05/556323405.db2.gz WMLLABRDIPGXJU-UHFFFAOYSA-N 0 0 425.533 2.163 50 0 IEAARN COc1ccc(Cl)cc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO ZINC000018600253 556323716 /nfs/dbraw/zinc/32/37/16/556323716.db2.gz SOCQNCCQHDWXKE-UHFFFAOYSA-N 0 0 442.921 2.360 50 0 IEAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1OC ZINC000010059745 556324423 /nfs/dbraw/zinc/32/44/23/556324423.db2.gz OYAKCQPVSXHITI-QGZVFWFLSA-N 0 0 434.514 2.438 50 0 IEAARN CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000010381795 556333971 /nfs/dbraw/zinc/33/39/71/556333971.db2.gz WEXNJFLHESWQMU-UHFFFAOYSA-N 0 0 429.926 2.039 50 0 IEAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000032776004 556336893 /nfs/dbraw/zinc/33/68/93/556336893.db2.gz GRZZZQUUCODOAY-VBKZILBWSA-N 0 0 448.479 2.132 50 0 IEAARN O=C(CN1CCN(Cc2ccsc2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000022921888 556340548 /nfs/dbraw/zinc/34/05/48/556340548.db2.gz LOWDRYRJQRVBTB-UHFFFAOYSA-N 0 0 448.614 2.289 50 0 IEAARN Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)C2)cnn1C ZINC000013960427 556347744 /nfs/dbraw/zinc/34/77/44/556347744.db2.gz BPJQSJAJNMCKCW-RQJZOYDLSA-N 0 0 434.606 2.462 50 0 IEAARN CCOc1ncccc1CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000032787260 556350283 /nfs/dbraw/zinc/35/02/83/556350283.db2.gz LIBJDXIFWBYMCN-UHFFFAOYSA-N 0 0 449.437 2.470 50 0 IEAARN COc1cccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)cc2F)c1 ZINC000011773197 556350681 /nfs/dbraw/zinc/35/06/81/556350681.db2.gz RKYDIOAOCXOZKI-NRFANRHFSA-N 0 0 429.492 2.192 50 0 IEAARN COc1cccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)cc2F)c1 ZINC000011773190 556350721 /nfs/dbraw/zinc/35/07/21/556350721.db2.gz RKYDIOAOCXOZKI-OAQYLSRUSA-N 0 0 429.492 2.192 50 0 IEAARN CCOC(=O)C1=C(COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)NC(=O)N[C@H]1C ZINC000013985865 556351862 /nfs/dbraw/zinc/35/18/62/556351862.db2.gz GNBVBVXFAFHRHM-NSHDSACASA-N 0 0 430.436 2.304 50 0 IEAARN C[C@@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2NC1=O ZINC000013987115 556352106 /nfs/dbraw/zinc/35/21/06/556352106.db2.gz YPCODUKWXZMUGX-XJKSGUPXSA-N 0 0 445.497 2.116 50 0 IEAARN COc1ccc([C@]2(CC(=O)N(C)C[C@H](O)c3ccccc3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000011784281 556352495 /nfs/dbraw/zinc/35/24/95/556352495.db2.gz GMVHYYJPPLKSQR-OFVILXPXSA-N 0 0 436.508 2.436 50 0 IEAARN Cc1cc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)ccc1Br ZINC000032796032 556352831 /nfs/dbraw/zinc/35/28/31/556352831.db2.gz JRFMDWVUTXHDHE-ZDUSSCGKSA-N 0 0 434.290 2.250 50 0 IEAARN CC[C@]1(C)NC(=O)N(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)C1=O ZINC000014067020 556359677 /nfs/dbraw/zinc/35/96/77/556359677.db2.gz CVPKZYFNAYQCEJ-IBGZPJMESA-N 0 0 445.526 2.247 50 0 IEAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 ZINC000014068740 556360075 /nfs/dbraw/zinc/36/00/75/556360075.db2.gz VZDLJUZJGXLMAF-OAHLLOKOSA-N 0 0 430.468 2.260 50 0 IEAARN CCn1c(=O)c2ccccc2n(CC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1=O ZINC000014070217 556360812 /nfs/dbraw/zinc/36/08/12/556360812.db2.gz WBNHMWAWPCXKRM-UHFFFAOYSA-N 0 0 443.887 2.314 50 0 IEAARN Cc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)cnn1-c1ccc(Br)cc1 ZINC000032796902 556362734 /nfs/dbraw/zinc/36/27/34/556362734.db2.gz KMRSXYYDHJPQCE-UHFFFAOYSA-N 0 0 441.351 2.051 50 0 IEAARN O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000014083308 556363156 /nfs/dbraw/zinc/36/31/56/556363156.db2.gz LMAAGADLLUHMAM-UHFFFAOYSA-N 0 0 441.553 2.176 50 0 IEAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000014093124 556365707 /nfs/dbraw/zinc/36/57/07/556365707.db2.gz LLDJFZMSHVXMAK-UHFFFAOYSA-N 0 0 432.452 2.297 50 0 IEAARN NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)cc1 ZINC000014113399 556370181 /nfs/dbraw/zinc/37/01/81/556370181.db2.gz BCZIGNRNHARXKJ-LJQANCHMSA-N 0 0 441.484 2.453 50 0 IEAARN COc1ccccc1-n1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)cc2)cn1 ZINC000011874649 556370611 /nfs/dbraw/zinc/37/06/11/556370611.db2.gz FCDLMUSLTAZVJU-JOCHJYFZSA-N 0 0 447.539 2.196 50 0 IEAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C(=O)[C@H]2C)cc1 ZINC000014136666 556375421 /nfs/dbraw/zinc/37/54/21/556375421.db2.gz PAIJOTDNHWLOHW-MRXNPFEDSA-N 0 0 440.525 2.198 50 0 IEAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000014140424 556376421 /nfs/dbraw/zinc/37/64/21/556376421.db2.gz VBXHZADMQVFZQA-OAQYLSRUSA-N 0 0 430.411 2.072 50 0 IEAARN O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000014141786 556376759 /nfs/dbraw/zinc/37/67/59/556376759.db2.gz KHEIZXCEZZGDFU-OAQYLSRUSA-N 0 0 443.569 2.102 50 0 IEAARN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccc(Cl)c2)c1OC ZINC000011933727 556377329 /nfs/dbraw/zinc/37/73/29/556377329.db2.gz LEDUVWUBQSPVEZ-LJQANCHMSA-N 0 0 445.947 2.407 50 0 IEAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cc[n+]([O-])cc3)C2)c(OC)c1 ZINC000011934749 556377896 /nfs/dbraw/zinc/37/78/96/556377896.db2.gz JXLXGOAZGGXYFF-KRWDZBQOSA-N 0 0 427.501 2.286 50 0 IEAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCc1cnc2ccccn12 ZINC000011936562 556378795 /nfs/dbraw/zinc/37/87/95/556378795.db2.gz GHLKMDABGQFLMS-JOCHJYFZSA-N 0 0 427.508 2.494 50 0 IEAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000014166128 556379850 /nfs/dbraw/zinc/37/98/50/556379850.db2.gz CVKJFTWIZGKCST-LJQANCHMSA-N 0 0 437.562 2.385 50 0 IEAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000011951757 556380222 /nfs/dbraw/zinc/38/02/22/556380222.db2.gz PJWXJVFJXSSZJF-LJQANCHMSA-N 0 0 431.920 2.364 50 0 IEAARN CCCCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000014168814 556380530 /nfs/dbraw/zinc/38/05/30/556380530.db2.gz VCJDGMVVRSVTQT-KRWDZBQOSA-N 0 0 430.592 2.147 50 0 IEAARN CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 ZINC000014180710 556382142 /nfs/dbraw/zinc/38/21/42/556382142.db2.gz HKNBBKYLJJPNAD-DEOSSOPVSA-N 0 0 434.496 2.283 50 0 IEAARN CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)C1 ZINC000011999076 556385376 /nfs/dbraw/zinc/38/53/76/556385376.db2.gz VDCMSKXOLFFVKW-HNNXBMFYSA-N 0 0 431.489 2.412 50 0 IEAARN Cn1cc(CCNC(=O)c2ccccc2OC2CCN(C(=O)c3cccnc3)CC2)cn1 ZINC000012030290 556388596 /nfs/dbraw/zinc/38/85/96/556388596.db2.gz DZDMWQVEAIYRDM-UHFFFAOYSA-N 0 0 433.512 2.471 50 0 IEAARN CC(C)NC(=O)CN1CCN(C(=O)COC(=O)c2sccc2-c2ccccc2)CC1 ZINC000014199803 556390552 /nfs/dbraw/zinc/39/05/52/556390552.db2.gz YZXMVEBNIMXGCZ-UHFFFAOYSA-N 0 0 429.542 2.241 50 0 IEAARN CCOC(=O)C[C@H](NC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1)C(C)C ZINC000012054230 556393580 /nfs/dbraw/zinc/39/35/80/556393580.db2.gz WBPBYCLGOLKDJN-HNNXBMFYSA-N 0 0 428.518 2.372 50 0 IEAARN Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2SC(F)F)c1=O ZINC000032810218 556396379 /nfs/dbraw/zinc/39/63/79/556396379.db2.gz RZWYLURUURGDFS-UHFFFAOYSA-N 0 0 439.488 2.073 50 0 IEAARN O=C(c1cccc(N2CCCC2=O)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000014231466 556397858 /nfs/dbraw/zinc/39/78/58/556397858.db2.gz VXCWUZZSDZGPJB-UHFFFAOYSA-N 0 0 427.526 2.101 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000014232599 556398183 /nfs/dbraw/zinc/39/81/83/556398183.db2.gz GTALBBUOSBSENZ-NWDGAFQWSA-N 0 0 425.457 2.467 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000014232610 556398575 /nfs/dbraw/zinc/39/85/75/556398575.db2.gz GTALBBUOSBSENZ-NEPJUHHUSA-N 0 0 425.457 2.467 50 0 IEAARN Nc1nc(COC(=O)CCS(=O)(=O)c2ccccc2)nc(Nc2ccc(F)cc2)n1 ZINC000014234915 556399176 /nfs/dbraw/zinc/39/91/76/556399176.db2.gz VSPGVTYCPJTCFZ-UHFFFAOYSA-N 0 0 431.449 2.244 50 0 IEAARN O=C(CCSc1nnnn1C[C@H]1CCCO1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014238415 556400303 /nfs/dbraw/zinc/40/03/03/556400303.db2.gz RLSWAPHJOZRFGD-FYMRZPMTSA-N 0 0 434.566 2.129 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCn2c(C)csc2=O)c1 ZINC000014239532 556400536 /nfs/dbraw/zinc/40/05/36/556400536.db2.gz JXQZIGSXHMECQL-UHFFFAOYSA-N 0 0 427.548 2.373 50 0 IEAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc21 ZINC000014245180 556404987 /nfs/dbraw/zinc/40/49/87/556404987.db2.gz CMIMBWNVPDDABW-AWEZNQCLSA-N 0 0 434.448 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CCKPCVVXANUXOB-HXUWFJFHSA-N 0 0 448.585 2.378 50 0 IEAARN CCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)ccc21 ZINC000033023314 556691388 /nfs/dbraw/zinc/69/13/88/556691388.db2.gz CFCRSJOSZAATCE-UHFFFAOYSA-N 0 0 431.518 2.151 50 0 IEAARN COc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C[C@H](C)c2ccccc2)cc1 ZINC000046140954 556691998 /nfs/dbraw/zinc/69/19/98/556691998.db2.gz MTMZLBOFXQMVED-IBGZPJMESA-N 0 0 445.585 2.176 50 0 IEAARN Cc1ccccc1C(=O)N(CCCc1ccccc1)CCS(=O)(=O)N1CCNCC1 ZINC000046141010 556692050 /nfs/dbraw/zinc/69/20/50/556692050.db2.gz QUFVUTWYVPMUMF-UHFFFAOYSA-N 0 0 429.586 2.305 50 0 IEAARN O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCCCCc1nnc2ccccn21 ZINC000252538953 556692211 /nfs/dbraw/zinc/69/22/11/556692211.db2.gz NLLINICINVEINH-QGZVFWFLSA-N 0 0 438.488 2.257 50 0 IEAARN COc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1 ZINC000065273313 556693854 /nfs/dbraw/zinc/69/38/54/556693854.db2.gz HFOZVMCKAFYEBB-KRWDZBQOSA-N 0 0 428.558 2.242 50 0 IEAARN CC(C)n1nnc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)NCc3ccco3)ccc21 ZINC000033023718 556693849 /nfs/dbraw/zinc/69/38/49/556693849.db2.gz XLDACSYIMMXDRM-IBGZPJMESA-N 0 0 431.518 2.465 50 0 IEAARN CCCCN(C(=O)CN(CC(F)(F)F)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000072314375 556700242 /nfs/dbraw/zinc/70/02/42/556700242.db2.gz YTERGGXPBIQGRM-UHFFFAOYSA-N 0 0 447.502 2.325 50 0 IEAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCO1 ZINC000013592762 556700765 /nfs/dbraw/zinc/70/07/65/556700765.db2.gz IQZOTKDZUFDKAU-LZQZEXGQSA-N 0 0 431.533 2.148 50 0 IEAARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)ccc21 ZINC000013610345 556702538 /nfs/dbraw/zinc/70/25/38/556702538.db2.gz PZDNYCRXBJCHFI-UHFFFAOYSA-N 0 0 448.497 2.455 50 0 IEAARN Cc1ccc2oc(N3CCN(C(=O)C[C@@H](C)N4C(=O)c5ccccc5C4=O)CC3)nc2n1 ZINC000033027358 556706452 /nfs/dbraw/zinc/70/64/52/556706452.db2.gz NEPSYRVYDBCAII-OAHLLOKOSA-N 0 0 433.468 2.255 50 0 IEAARN O=C(c1cn(C[C@H]2COc3ccccc3O2)nn1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000019146977 556706841 /nfs/dbraw/zinc/70/68/41/556706841.db2.gz SOZIULVMOVLBFL-INIZCTEOSA-N 0 0 440.891 2.129 50 0 IEAARN O=C(NCCN1CCOCC1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000019219943 556714364 /nfs/dbraw/zinc/71/43/64/556714364.db2.gz XWUHFZAXPSGGCT-UHFFFAOYSA-N 0 0 436.491 2.408 50 0 IEAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCC[C@@H]3CO)cc2Cl)CC1 ZINC000019223368 556716216 /nfs/dbraw/zinc/71/62/16/556716216.db2.gz LCVYJUIMJCPOSJ-OAHLLOKOSA-N 0 0 430.954 2.130 50 0 IEAARN O=c1ccc(N2CCCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1-c1ccccc1 ZINC000033037705 556722988 /nfs/dbraw/zinc/72/29/88/556722988.db2.gz OCHJOZPTGSJKAT-UHFFFAOYSA-N 0 0 446.479 2.412 50 0 IEAARN O=c1ccc(N2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1-c1ccccc1 ZINC000033037707 556723012 /nfs/dbraw/zinc/72/30/12/556723012.db2.gz DZJQTYOQCDCNFT-UHFFFAOYSA-N 0 0 446.479 2.412 50 0 IEAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nnc2ccccn21 ZINC000072325603 556723359 /nfs/dbraw/zinc/72/33/59/556723359.db2.gz ORYIXRLEAQRVMB-SFHVURJKSA-N 0 0 434.500 2.089 50 0 biogenic IEAARN Cc1nnc(NC(=O)Cn2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2=O)s1 ZINC000061718856 556725196 /nfs/dbraw/zinc/72/51/96/556725196.db2.gz DWSFHBDXRGSZGX-UHFFFAOYSA-N 0 0 445.936 2.022 50 0 IEAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCCCCC1 ZINC000072329724 556727445 /nfs/dbraw/zinc/72/74/45/556727445.db2.gz LBZVIRAWABSKJF-UHFFFAOYSA-N 0 0 425.445 2.194 50 0 IEAARN O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000061721252 556729517 /nfs/dbraw/zinc/72/95/17/556729517.db2.gz TUKZJLXIEHIODA-KRWDZBQOSA-N 0 0 425.485 2.309 50 0 IEAARN COc1cccc(NC(=O)C[C@@H](C[NH+]2CCN(Cc3c(C)noc3C)CC2)C(=O)[O-])c1 ZINC000061721795 556730006 /nfs/dbraw/zinc/73/00/06/556730006.db2.gz NXJIZWJZHNUPSD-KRWDZBQOSA-N 0 0 430.505 2.147 50 0 IEAARN COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)N[C@@H](CO)Cc3ccccc3)n2)c1 ZINC000071332959 556730986 /nfs/dbraw/zinc/73/09/86/556730986.db2.gz GZUSVNSSVYGLMU-MRXNPFEDSA-N 0 0 429.860 2.434 50 0 IEAARN Cn1c2cc(Br)c(S(=O)(=O)N3CCc4ccccc4C3)cc2n(C)c1=O ZINC000078876355 556735998 /nfs/dbraw/zinc/73/59/98/556735998.db2.gz UZZUADSGLPQRDL-UHFFFAOYSA-N 0 0 436.331 2.387 50 0 IEAARN Cc1ccccc1N1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)CC1 ZINC000055167320 556736498 /nfs/dbraw/zinc/73/64/98/556736498.db2.gz LSEJLPMGXRAQDW-OAQYLSRUSA-N 0 0 442.510 2.313 50 0 IEAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000080328727 556739134 /nfs/dbraw/zinc/73/91/34/556739134.db2.gz YQMMRGLEVQDDIN-SFHVURJKSA-N 0 0 442.497 2.345 50 0 IEAARN Cc1cc(C)n(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)n1 ZINC000055270328 556739244 /nfs/dbraw/zinc/73/92/44/556739244.db2.gz LZCFROLUCQWWGY-GOSISDBHSA-N 0 0 437.466 2.026 50 0 IEAARN O=C(c1ccc2c(c1)no[n+]2[O-])N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055308821 556740004 /nfs/dbraw/zinc/74/00/04/556740004.db2.gz IFILNYOKFUCBTC-IBGZPJMESA-N 0 0 425.464 2.027 50 0 IEAARN Cc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3cccs3)CC2)c(C)c1 ZINC000055358378 556740466 /nfs/dbraw/zinc/74/04/66/556740466.db2.gz AHKLWAMVTLAFJB-NRFANRHFSA-N 0 0 426.586 2.404 50 0 IEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000055562759 556742527 /nfs/dbraw/zinc/74/25/27/556742527.db2.gz IIJFQSRUMMYZHY-UHFFFAOYSA-N 0 0 429.448 2.160 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000206229040 556748726 /nfs/dbraw/zinc/74/87/26/556748726.db2.gz ZRDQMZGOQRKYOM-NHCUHLMSSA-N 0 0 437.496 2.148 50 0 IEAARN CCNC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 ZINC000057986857 556750396 /nfs/dbraw/zinc/75/03/96/556750396.db2.gz HODBHWPSIXYFSL-OAHLLOKOSA-N 0 0 449.533 2.472 50 0 IEAARN O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000057997162 556751758 /nfs/dbraw/zinc/75/17/58/556751758.db2.gz ZLVACFVGCXCWGF-NRFANRHFSA-N 0 0 430.505 2.363 50 0 IEAARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000058018660 556754301 /nfs/dbraw/zinc/75/43/01/556754301.db2.gz NICITAATEMIRRP-UHFFFAOYSA-N 0 0 426.970 2.391 50 0 IEAARN O=C(CNC(=O)c1ccccc1Cl)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011154943 556755576 /nfs/dbraw/zinc/75/55/76/556755576.db2.gz GZYLYFHAAQZTFC-UHFFFAOYSA-N 0 0 435.933 2.039 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](OC[C@H]1CCCO1)C(C)C ZINC000058061180 556756080 /nfs/dbraw/zinc/75/60/80/556756080.db2.gz XHVJTDZFYSOSMH-XLIONFOSSA-N 0 0 440.562 2.175 50 0 IEAARN Cc1cc2ncn(C[C@@H](O)CNC(=O)CN3C(=S)N=NC3c3cccs3)c2cc1C ZINC000058063337 556756205 /nfs/dbraw/zinc/75/62/05/556756205.db2.gz VEQLOIYHUVEICJ-AWEZNQCLSA-N 0 0 442.570 2.439 50 0 IEAARN CCCCCNC(=O)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)CC1 ZINC000058109620 556758714 /nfs/dbraw/zinc/75/87/14/556758714.db2.gz PYKAXZFKPYJOCX-FQEVSTJZSA-N 0 0 430.528 2.449 50 0 IEAARN COc1cccc(N2CCN(CC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)c1 ZINC000058135627 556760551 /nfs/dbraw/zinc/76/05/51/556760551.db2.gz GDRSQFLDHBMQBK-UHFFFAOYSA-N 0 0 446.573 2.015 50 0 IEAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccccc1-n1cnnn1 ZINC000096544245 556761095 /nfs/dbraw/zinc/76/10/95/556761095.db2.gz KMSBTDRMGMMUTH-GZTJUZNOSA-N 0 0 438.444 2.268 50 0 IEAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000058140033 556761127 /nfs/dbraw/zinc/76/11/27/556761127.db2.gz HJMSCMWFFNWLIA-QGZVFWFLSA-N 0 0 425.485 2.396 50 0 IEAARN COc1ccc(C2(CNC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)CCOCC2)cc1 ZINC000062001533 556764311 /nfs/dbraw/zinc/76/43/11/556764311.db2.gz ZIYDRGGKURJQHE-HXUWFJFHSA-N 0 0 437.496 2.000 50 0 biogenic IEAARN COc1cc(-c2nn(CN3CCN(c4ncccn4)CC3)c(=S)o2)cc(OC)c1OC ZINC000058160885 556764942 /nfs/dbraw/zinc/76/49/42/556764942.db2.gz OBLQLMLVTKMGLL-UHFFFAOYSA-N 0 0 444.517 2.468 50 0 IEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1 ZINC000058161685 556765373 /nfs/dbraw/zinc/76/53/73/556765373.db2.gz FBCBZJJWHGLZJI-UHFFFAOYSA-N 0 0 441.484 2.029 50 0 IEAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC ZINC000062022711 556766041 /nfs/dbraw/zinc/76/60/41/556766041.db2.gz IRZOMYLHIWDTHH-SFHVURJKSA-N 0 0 436.516 2.255 50 0 IEAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(Cc3nc(-c4cccnc4)no3)C2)CC1 ZINC000062022908 556766252 /nfs/dbraw/zinc/76/62/52/556766252.db2.gz NVMODZAFCFSTNP-QGZVFWFLSA-N 0 0 442.520 2.081 50 0 IEAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2nc(-c3ncccn3)no2)C1 ZINC000062022918 556766295 /nfs/dbraw/zinc/76/62/95/556766295.db2.gz XEIVCAHZXKUDMM-KRWDZBQOSA-N 0 0 449.515 2.214 50 0 IEAARN CCCn1c(N)c(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c(=O)[nH]c1=O ZINC000058166916 556767009 /nfs/dbraw/zinc/76/70/09/556767009.db2.gz HRDPTTSDFKUSIY-UHFFFAOYSA-N 0 0 427.530 2.201 50 0 IEAARN CN(Cc1cccnc1)C(=O)CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000058171074 556767929 /nfs/dbraw/zinc/76/79/29/556767929.db2.gz YCSMIDZLGLYUGC-UHFFFAOYSA-N 0 0 425.439 2.423 50 0 IEAARN O=C(COC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCc1ccc(Cl)cc1 ZINC000058173745 556768880 /nfs/dbraw/zinc/76/88/80/556768880.db2.gz KFKJGJVTQLAPOK-UHFFFAOYSA-N 0 0 439.855 2.137 50 0 IEAARN 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CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000015333408 568758370 /nfs/dbraw/zinc/75/83/70/568758370.db2.gz RGGJHOAVMKFFET-QFIPXVFZSA-N 0 0 425.441 2.262 50 0 IEAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N2CCCC2)c2ccccc21 ZINC000263585379 568759077 /nfs/dbraw/zinc/75/90/77/568759077.db2.gz HYRVVEYVSNYWPJ-SFHVURJKSA-N 0 0 428.533 2.353 50 0 biogenic IEAARN O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000263588047 568760996 /nfs/dbraw/zinc/76/09/96/568760996.db2.gz OLHSZKBXNOAAGQ-KRWDZBQOSA-N 0 0 431.876 2.254 50 0 IEAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000078413786 568761212 /nfs/dbraw/zinc/76/12/12/568761212.db2.gz AWMWHXPGJMCORZ-UHFFFAOYSA-N 0 0 441.507 2.451 50 0 IEAARN O=C(CN1CCn2nnc(-c3nc(-c4ccccc4)no3)c2C1=O)N1CCc2ccccc21 ZINC000263615601 568776278 /nfs/dbraw/zinc/77/62/78/568776278.db2.gz DEESGQNIAQGAHM-UHFFFAOYSA-N 0 0 441.451 2.040 50 0 IEAARN C[C@@H](NC(=O)CN1CCn2nnc(-c3nc(-c4ccccc4)no3)c2C1=O)c1ccccc1 ZINC000263616009 568776332 /nfs/dbraw/zinc/77/63/32/568776332.db2.gz GLLFTMGLIXWUSJ-OAHLLOKOSA-N 0 0 443.467 2.328 50 0 IEAARN CCOC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O ZINC000263617551 568777315 /nfs/dbraw/zinc/77/73/15/568777315.db2.gz OIQAQUYGSBXYJP-UHFFFAOYSA-N 0 0 446.463 2.471 50 0 IEAARN Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCOCC5)CC4)c3CO2)cc1 ZINC000263618146 568778190 /nfs/dbraw/zinc/77/81/90/568778190.db2.gz RLLSQDWFCFJMCY-OAQYLSRUSA-N 0 0 438.528 2.174 50 0 IEAARN Cc1cn2nnc(C(=O)N3CCC(C(=O)N[C@H](C)c4ccc(F)cc4)CC3)c2c(=O)[nH]1 ZINC000263619576 568778370 /nfs/dbraw/zinc/77/83/70/568778370.db2.gz ZIIFKXTWSKYSKU-CYBMUJFWSA-N 0 0 426.452 2.007 50 0 IEAARN COc1ccc(-n2ncc3c2NC(=O)C[C@]32c3cc(C)ccc3N(CC(N)=O)C2=O)cc1 ZINC000032100125 568780486 /nfs/dbraw/zinc/78/04/86/568780486.db2.gz VBWGGAPBTXMVRD-QHCPKHFHSA-N 0 0 431.452 2.299 50 0 IEAARN COc1cccc2ccn(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c21 ZINC000032100388 568780492 /nfs/dbraw/zinc/78/04/92/568780492.db2.gz MJXMDHHUULTCRG-UHFFFAOYSA-N 0 0 431.489 2.322 50 0 IEAARN NC(=O)C1CCN(C(=O)CCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000032104365 568781076 /nfs/dbraw/zinc/78/10/76/568781076.db2.gz ZVWMBMAMVMLUNI-UHFFFAOYSA-N 0 0 439.516 2.006 50 0 IEAARN O=C(c1nn(CCc2ccccc2)c2c1CN(C(=O)c1cccnc1)CC2)N1CCOCC1 ZINC000014536278 568781490 /nfs/dbraw/zinc/78/14/90/568781490.db2.gz FHMKFLXAGNFYTE-UHFFFAOYSA-N 0 0 445.523 2.192 50 0 IEAARN COc1cc(OC)cc([C@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccc4c(c2)OCO4)C3)c1 ZINC000004143918 568781925 /nfs/dbraw/zinc/78/19/25/568781925.db2.gz NWEPSSIXRRGCLX-OAQYLSRUSA-N 0 0 437.452 2.425 50 0 IEAARN NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1 ZINC000071899320 568782981 /nfs/dbraw/zinc/78/29/81/568782981.db2.gz YBQBJSKPHKMSDH-UHFFFAOYSA-N 0 0 445.282 2.303 50 0 IEAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3c2cccc3C)c1 ZINC000223237602 568786668 /nfs/dbraw/zinc/78/66/68/568786668.db2.gz CBAYRSBFVQIVOJ-UHFFFAOYSA-N 0 0 430.530 2.439 50 0 IEAARN CC[C@H](CO)NS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1OC ZINC000001425806 568793798 /nfs/dbraw/zinc/79/37/98/568793798.db2.gz FGIQGRWIZFQIRF-OAHLLOKOSA-N 0 0 441.513 2.311 50 0 IEAARN COc1cccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccccc2OC)c1 ZINC000001429297 568794462 /nfs/dbraw/zinc/79/44/62/568794462.db2.gz VLBKECAHVBGDFW-UHFFFAOYSA-N 0 0 431.452 2.360 50 0 IEAARN COCCCCNC(=O)C[C@@]1(C(=O)NCCCCOC)CCN(C(=O)OC(C)(C)C)C1 ZINC000084200007 568796095 /nfs/dbraw/zinc/79/60/95/568796095.db2.gz DYXMMWKHSVMGSQ-QFIPXVFZSA-N 0 0 443.585 2.089 50 0 IEAARN Cc1nc2ccccc2n1CCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O ZINC000084290486 568797060 /nfs/dbraw/zinc/79/70/60/568797060.db2.gz OICUAKJESVGLCD-UHFFFAOYSA-N 0 0 428.514 2.307 50 0 IEAARN O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000084535715 568798489 /nfs/dbraw/zinc/79/84/89/568798489.db2.gz BIAITOZDKMYQCD-SFTDATJTSA-N 0 0 426.538 2.251 50 0 IEAARN CC[C@@H](C)NS(=O)(=O)c1cc(-n2cc(S(=O)(=O)N[C@@H](C)CC)cn2)ccc1C ZINC000084726618 568800433 /nfs/dbraw/zinc/80/04/33/568800433.db2.gz HUPVCVIOSJLHIU-LSDHHAIUSA-N 0 0 428.580 2.334 50 0 IEAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677535 568804601 /nfs/dbraw/zinc/80/46/01/568804601.db2.gz KRPUVTMMDYRQEL-UHFFFAOYSA-N 0 0 449.530 2.424 50 0 IEAARN CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000015678581 568805123 /nfs/dbraw/zinc/80/51/23/568805123.db2.gz PLUAEYLADMIUOD-UHFFFAOYSA-N 0 0 433.917 2.161 50 0 IEAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cccc(Cl)c4)sc3nc2=O)cc1OC ZINC000001450156 568817980 /nfs/dbraw/zinc/81/79/80/568817980.db2.gz PYNJSXDDIWJYSH-WQRHYEAKSA-N 0 0 441.896 2.320 50 0 IEAARN COc1ccc(C(=O)N[C@H](Nc2ccc(S(N)(=O)=O)cc2)C(=O)c2ccccc2)cc1 ZINC000001462073 568819851 /nfs/dbraw/zinc/81/98/51/568819851.db2.gz RHIPOHHECUIQTB-NRFANRHFSA-N 0 0 439.493 2.394 50 0 IEAARN COc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)cc1OC ZINC000015767730 568821887 /nfs/dbraw/zinc/82/18/87/568821887.db2.gz GUNZYQADSXSIMB-UHFFFAOYSA-N 0 0 442.497 2.290 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCc1ccccc1C ZINC000015775580 568823398 /nfs/dbraw/zinc/82/33/98/568823398.db2.gz MXRBFLAMGNONTQ-JOCHJYFZSA-N 0 0 441.553 2.374 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCc1ccccc1)N2C(C)=O ZINC000015775965 568823601 /nfs/dbraw/zinc/82/36/01/568823601.db2.gz RCLUUHQYGLSGGG-QFIPXVFZSA-N 0 0 443.569 2.354 50 0 IEAARN CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)s1 ZINC000015777587 568824773 /nfs/dbraw/zinc/82/47/73/568824773.db2.gz BSSYDJZVBVEFFJ-GFCCVEGCSA-N 0 0 444.608 2.467 50 0 IEAARN O=C(c1csc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1)N1CCCC1 ZINC000085641339 568828728 /nfs/dbraw/zinc/82/87/28/568828728.db2.gz HUAYCYOOPORGAG-UHFFFAOYSA-N 0 0 425.576 2.007 50 0 IEAARN Cc1nc(Cn2c3ccc(S(=O)(=O)NCCCc4ccccc4)cc3oc2=O)no1 ZINC000085642336 568828866 /nfs/dbraw/zinc/82/88/66/568828866.db2.gz PFIXQUGRJFFZNY-UHFFFAOYSA-N 0 0 428.470 2.245 50 0 IEAARN Cc1cc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)no1 ZINC000085645408 568829750 /nfs/dbraw/zinc/82/97/50/568829750.db2.gz ZZXUIKXHCQQJPE-UHFFFAOYSA-N 0 0 432.506 2.321 50 0 IEAARN CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000085650834 568830869 /nfs/dbraw/zinc/83/08/69/568830869.db2.gz INRGYVWRFWZQHZ-IBGZPJMESA-N 0 0 444.557 2.065 50 0 IEAARN COc1ccc(OCC(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000085653985 568832581 /nfs/dbraw/zinc/83/25/81/568832581.db2.gz UJQBEOBXCZLRHY-UHFFFAOYSA-N 0 0 434.496 2.359 50 0 IEAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000085654526 568832707 /nfs/dbraw/zinc/83/27/07/568832707.db2.gz VCABBHHYEDTFSW-UHFFFAOYSA-N 0 0 435.459 2.292 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000085654418 568833803 /nfs/dbraw/zinc/83/38/03/568833803.db2.gz MCINAYPDIYXVOR-UHFFFAOYSA-N 0 0 440.525 2.060 50 0 IEAARN O=C(c1cccc(Br)c1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000015787098 568836857 /nfs/dbraw/zinc/83/68/57/568836857.db2.gz KYVBOVLXWMBFKT-UHFFFAOYSA-N 0 0 427.302 2.415 50 0 IEAARN CC1(C)c2cc(S(=O)(=O)N3CCCCC3)ccc2N(CC(=O)N2CCCCC2)C1=O ZINC000015823158 568840055 /nfs/dbraw/zinc/84/00/55/568840055.db2.gz BUXRZDWZVPTIGY-UHFFFAOYSA-N 0 0 433.574 2.498 50 0 IEAARN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 ZINC000015823714 568840258 /nfs/dbraw/zinc/84/02/58/568840258.db2.gz SPXFXGFHJCCAMA-UHFFFAOYSA-N 0 0 428.558 2.103 50 0 IEAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 ZINC000012868120 568841640 /nfs/dbraw/zinc/84/16/40/568841640.db2.gz RHDRZUYAUIXCNP-UHFFFAOYSA-N 0 0 440.525 2.071 50 0 IEAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OC ZINC000025666143 568842547 /nfs/dbraw/zinc/84/25/47/568842547.db2.gz VVZDIVZRLUHQKF-XKGZKEIXSA-N 0 0 449.548 2.148 50 0 IEAARN COc1cc([C@@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)cc(OC)c1O ZINC000015834424 568842736 /nfs/dbraw/zinc/84/27/36/568842736.db2.gz QEPXMNRGYILTFD-SFHVURJKSA-N 0 0 434.452 2.266 50 0 IEAARN CC(=O)O[C@@H](CN(c1ccc(NS(C)(=O)=O)cc1)S(C)(=O)=O)c1ccccc1 ZINC000043214929 568843171 /nfs/dbraw/zinc/84/31/71/568843171.db2.gz IZVOEAPZJVKHET-SFHVURJKSA-N 0 0 426.516 2.129 50 0 IEAARN COc1ccc(CCNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1OC ZINC000015843125 568844677 /nfs/dbraw/zinc/84/46/77/568844677.db2.gz OGYZPYOLCINZSZ-UHFFFAOYSA-N 0 0 446.525 2.379 50 0 biogenic IEAARN CSc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006147784 568846453 /nfs/dbraw/zinc/84/64/53/568846453.db2.gz QHDCLKXPMORJPD-UHFFFAOYSA-N 0 0 446.554 2.418 50 0 IEAARN CCOc1ccccc1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000006162652 568849041 /nfs/dbraw/zinc/84/90/41/568849041.db2.gz ZCJMDJWJJHYERK-UHFFFAOYSA-N 0 0 446.456 2.023 50 0 IEAARN COCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)c(Cl)c2)n(C)c1=O ZINC000006177677 568852531 /nfs/dbraw/zinc/85/25/31/568852531.db2.gz HQXDZVHBJQLBNF-UHFFFAOYSA-N 0 0 431.880 2.064 50 0 IEAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(Cl)c1 ZINC000015883819 568857733 /nfs/dbraw/zinc/85/77/33/568857733.db2.gz ASHPEDSGSPCESS-UHFFFAOYSA-N 0 0 434.905 2.163 50 0 IEAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCCc1ccccc1 ZINC000015883493 568857749 /nfs/dbraw/zinc/85/77/49/568857749.db2.gz WRPQCDRIFDPDQX-UHFFFAOYSA-N 0 0 426.542 2.207 50 0 IEAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000015883761 568857909 /nfs/dbraw/zinc/85/79/09/568857909.db2.gz AEKGTKYCSXORPU-UHFFFAOYSA-N 0 0 428.514 2.126 50 0 IEAARN CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2)NC(=S)N1C ZINC000012893026 568858286 /nfs/dbraw/zinc/85/82/86/568858286.db2.gz ZWLBDSMSFMWCMC-JBYIUTFZSA-N 0 0 428.510 2.307 50 0 IEAARN COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000016047671 568869168 /nfs/dbraw/zinc/86/91/68/568869168.db2.gz RSHDRKKFZPMAQO-MRXNPFEDSA-N 0 0 443.500 2.368 50 0 IEAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000012940336 568869816 /nfs/dbraw/zinc/86/98/16/568869816.db2.gz AQXXQCKAAZQDNX-UHFFFAOYSA-N 0 0 432.484 2.493 50 0 IEAARN Cc1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)ccc1Br ZINC000012944415 568870453 /nfs/dbraw/zinc/87/04/53/568870453.db2.gz GRSFIRGRJAGSKG-UHFFFAOYSA-N 0 0 426.336 2.468 50 0 IEAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012946732 568871223 /nfs/dbraw/zinc/87/12/23/568871223.db2.gz AIYZCAHHBUYGDU-UHFFFAOYSA-N 0 0 448.317 2.327 50 0 IEAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCC[C@@H](C(N)=O)C4)c32)C1 ZINC000024107280 568879737 /nfs/dbraw/zinc/87/97/37/568879737.db2.gz ZFMICXHWTHOCBP-LSDHHAIUSA-N 0 0 429.590 2.350 50 0 IEAARN CN1c2ccc(F)cc2N(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)S1(=O)=O ZINC000575613599 568879744 /nfs/dbraw/zinc/87/97/44/568879744.db2.gz UUCKZWCQAXKWSX-UHFFFAOYSA-N 0 0 439.534 2.184 50 0 IEAARN CCc1ncnc(O[C@@H]2CCN(C(=O)CN3CCN(c4ccccc4OC)C3=O)C2)c1F ZINC000575613545 568879816 /nfs/dbraw/zinc/87/98/16/568879816.db2.gz RUGRWJOONZHYMT-OAHLLOKOSA-N 0 0 443.479 2.109 50 0 IEAARN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575614294 568879984 /nfs/dbraw/zinc/87/99/84/568879984.db2.gz YPEBOZCRAHNUBN-HNNXBMFYSA-N 0 0 435.406 2.206 50 0 IEAARN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)C1 ZINC000035344054 568880493 /nfs/dbraw/zinc/88/04/93/568880493.db2.gz DPBSGVPVEAJXGW-OALUTQOASA-N 0 0 426.561 2.076 50 0 IEAARN Cc1ccc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2n1 ZINC000006238862 568880659 /nfs/dbraw/zinc/88/06/59/568880659.db2.gz WTBOSWCALZMRTM-UHFFFAOYSA-N 0 0 425.510 2.455 50 0 IEAARN CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575617663 568881804 /nfs/dbraw/zinc/88/18/04/568881804.db2.gz QHRHLRZOZDROIC-DLBZAZTESA-N 0 0 432.995 2.286 50 0 IEAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006300130 568882610 /nfs/dbraw/zinc/88/26/10/568882610.db2.gz JVXSYKAZGFKFMF-KRWDZBQOSA-N 0 0 425.464 2.133 50 0 IEAARN COC(=O)c1nn(C(C)(C)CC(C)=O)c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(O)c12 ZINC000227096990 568885722 /nfs/dbraw/zinc/88/57/22/568885722.db2.gz 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ZINC000169763985 569096630 /nfs/dbraw/zinc/09/66/30/569096630.db2.gz OJSWRCUIVIEQSW-UHFFFAOYSA-N 0 0 439.472 2.132 50 0 IEAARN COc1cc(CNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc(OC)c1OC ZINC000036392011 569098159 /nfs/dbraw/zinc/09/81/59/569098159.db2.gz LMWIDYGZLZIYSD-QFBILLFUSA-N 0 0 448.516 2.311 50 0 IEAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)CCC4CCCC4)CC3)cc2oc1=O ZINC000065075823 569099774 /nfs/dbraw/zinc/09/97/74/569099774.db2.gz WSFMKQXUPNEIOM-UHFFFAOYSA-N 0 0 435.546 2.418 50 0 IEAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000065076682 569099925 /nfs/dbraw/zinc/09/99/25/569099925.db2.gz PRZVDUXZBWQUPL-AWEZNQCLSA-N 0 0 432.436 2.202 50 0 IEAARN O=S(=O)(NCc1ccnc(N2CCOCC2)c1)c1cc(Br)cnc1Cl ZINC000036397333 569099992 /nfs/dbraw/zinc/09/99/92/569099992.db2.gz APNPGIWYIVPSBT-UHFFFAOYSA-N 0 0 447.742 2.208 50 0 IEAARN COc1ccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)c(OC)c1 ZINC000065076375 569100136 /nfs/dbraw/zinc/10/01/36/569100136.db2.gz SHOUWMGLMVDMBY-HNNXBMFYSA-N 0 0 448.479 2.491 50 0 IEAARN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000036398286 569101299 /nfs/dbraw/zinc/10/12/99/569101299.db2.gz VQJBWBIWSLBMJC-IBGZPJMESA-N 0 0 437.544 2.271 50 0 IEAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)c1 ZINC000169777122 569102453 /nfs/dbraw/zinc/10/24/53/569102453.db2.gz MCXVMRPJFVTMFU-UHFFFAOYSA-N 0 0 432.436 2.330 50 0 IEAARN Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C3=C2C(=O)OC3)cc1 ZINC000169780819 569103130 /nfs/dbraw/zinc/10/31/30/569103130.db2.gz OSIOXHIMJFRUHY-OAQYLSRUSA-N 0 0 435.436 2.282 50 0 IEAARN C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 ZINC000065096597 569103575 /nfs/dbraw/zinc/10/35/75/569103575.db2.gz BFYLIJMXKYNTIN-CQSZACIVSA-N 0 0 435.933 2.102 50 0 IEAARN C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 ZINC000065096596 569103581 /nfs/dbraw/zinc/10/35/81/569103581.db2.gz BFYLIJMXKYNTIN-AWEZNQCLSA-N 0 0 435.933 2.102 50 0 IEAARN Cc1ccc(CNC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)cc1 ZINC000065100255 569105454 /nfs/dbraw/zinc/10/54/54/569105454.db2.gz GYVMPFJGKRPDBH-UHFFFAOYSA-N 0 0 429.480 2.051 50 0 IEAARN CC[C@@H](C)NC(=O)Cn1c2nc(SC)sc2c(=O)n(-c2ccccc2OC)c1=O ZINC000065100667 569105613 /nfs/dbraw/zinc/10/56/13/569105613.db2.gz VTZMESUGJYJJOB-LLVKDONJSA-N 0 0 434.543 2.254 50 0 IEAARN COc1ccc(OC)c(CNC(=O)c2nc(CCS(=O)(=O)c3ccccc3)no2)c1 ZINC000065117261 569107394 /nfs/dbraw/zinc/10/73/94/569107394.db2.gz OUIFZDMCROGYLJ-UHFFFAOYSA-N 0 0 431.470 2.033 50 0 IEAARN CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)C1 ZINC000169793913 569108275 /nfs/dbraw/zinc/10/82/75/569108275.db2.gz RIVXHXXGIMQIDF-HUUCEWRRSA-N 0 0 437.562 2.420 50 0 IEAARN O=C(CSc1ccc(N2CCC[C@H](C(=O)NC3CC3)C2)nn1)NCc1ccccc1 ZINC000065131447 569109446 /nfs/dbraw/zinc/10/94/46/569109446.db2.gz KECMXQNFECSXEC-KRWDZBQOSA-N 0 0 425.558 2.380 50 0 IEAARN O=C(CSc1ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)nn1)NCc1cccs1 ZINC000065131784 569109731 /nfs/dbraw/zinc/10/97/31/569109731.db2.gz OGHUXJYIXVZKKP-CQSZACIVSA-N 0 0 431.587 2.442 50 0 IEAARN O=C(Cn1ncc2c(c1=O)N(CC1CC1)C(=O)CS2)Nc1ccc(Br)cc1 ZINC000065132811 569109931 /nfs/dbraw/zinc/10/99/31/569109931.db2.gz JXVQEAXRWLPDQO-UHFFFAOYSA-N 0 0 449.330 2.493 50 0 IEAARN Cc1nc(-c2cc(S(=O)(=O)N3CCOCC3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137532 569110534 /nfs/dbraw/zinc/11/05/34/569110534.db2.gz HWTMUHTXTRWZCV-UHFFFAOYSA-N 0 0 438.575 2.104 50 0 IEAARN Cc1nc(-c2cc(S(=O)(=O)NC3CCCC3)cn2C)sc1C(=O)N1CCOCC1 ZINC000065137551 569110569 /nfs/dbraw/zinc/11/05/69/569110569.db2.gz SNFMEJPYRQZQLQ-UHFFFAOYSA-N 0 0 438.575 2.150 50 0 IEAARN O=C(Cn1nc2c(N3CCSCC3)nccn2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000065151624 569111311 /nfs/dbraw/zinc/11/13/11/569111311.db2.gz AYMUOESZGFOYFF-UHFFFAOYSA-N 0 0 438.435 2.102 50 0 IEAARN O=C(C1=NN(Cc2ccc(F)cc2)c2ccc(Cl)cc2S1(=O)=O)N1CCOCC1 ZINC000065183396 569113806 /nfs/dbraw/zinc/11/38/06/569113806.db2.gz GMJILJSTENEFNY-UHFFFAOYSA-N 0 0 437.880 2.445 50 0 IEAARN Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)NCc3ccc4c(c3)OCO4)C3=C2C(=O)OC3)c1 ZINC000065183416 569113838 /nfs/dbraw/zinc/11/38/38/569113838.db2.gz FGHVZDSEZXXAKM-QFIPXVFZSA-N 0 0 449.463 2.226 50 0 IEAARN COc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)cc1F ZINC000065198719 569114936 /nfs/dbraw/zinc/11/49/36/569114936.db2.gz JRBJRCZQBMXJLP-UHFFFAOYSA-N 0 0 434.493 2.113 50 0 IEAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)NCc3ccc(F)cc3Cl)c(=O)n21 ZINC000065196731 569115755 /nfs/dbraw/zinc/11/57/55/569115755.db2.gz SAHCADIUOINJJD-UHFFFAOYSA-N 0 0 426.839 2.370 50 0 IEAARN Cn1c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)cnc2n(-c2ccc(F)cc2)c1=O ZINC000065197132 569115917 /nfs/dbraw/zinc/11/59/17/569115917.db2.gz KTTHABGJWXNGGT-UHFFFAOYSA-N 0 0 448.410 2.247 50 0 IEAARN COc1ccc(-n2c3ncc(C(=O)NCc4ccc(C)cc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197158 569115982 /nfs/dbraw/zinc/11/59/82/569115982.db2.gz OVYJVXCZHYLJJT-UHFFFAOYSA-N 0 0 430.464 2.331 50 0 IEAARN COc1ccc(-n2c(=O)n(C)c(=O)c3cc(C(=O)NCc4ccccc4F)cnc32)cc1 ZINC000065197165 569115998 /nfs/dbraw/zinc/11/59/98/569115998.db2.gz VAHKYGDEHBYWRS-UHFFFAOYSA-N 0 0 434.427 2.162 50 0 IEAARN Cc1ccc(-n2c(=O)n(C)c(=O)c3cc(C(=O)Nc4ccc5c(c4)OCO5)cnc32)cc1 ZINC000065197144 569116034 /nfs/dbraw/zinc/11/60/34/569116034.db2.gz WSTQYHHABFVMPE-UHFFFAOYSA-N 0 0 430.420 2.374 50 0 IEAARN COc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1 ZINC000065226771 569117983 /nfs/dbraw/zinc/11/79/83/569117983.db2.gz XEXHFMWCOPLTBI-QGZVFWFLSA-N 0 0 425.533 2.416 50 0 IEAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000036569514 569118765 /nfs/dbraw/zinc/11/87/65/569118765.db2.gz GQOZIEFEUMVZSM-CRAIPNDOSA-N 0 0 434.880 2.215 50 0 IEAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)C1 ZINC000065236956 569119535 /nfs/dbraw/zinc/11/95/35/569119535.db2.gz JXGZGFGJBYPZHM-LJQANCHMSA-N 0 0 429.565 2.485 50 0 IEAARN C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc2c1=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000036584593 569119928 /nfs/dbraw/zinc/11/99/28/569119928.db2.gz WKBONKNLKZTFQC-HZPDHXFCSA-N 0 0 431.496 2.302 50 0 IEAARN C=C1C(N2CCC(NC(=O)c3ccnn3CC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239148 569120109 /nfs/dbraw/zinc/12/01/09/569120109.db2.gz QKAICSYTYCYVJM-UHFFFAOYSA-N 0 0 427.530 2.270 50 0 IEAARN CC1CCN(c2cc(-n3cnc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3)ncn2)CC1 ZINC000065239819 569120713 /nfs/dbraw/zinc/12/07/13/569120713.db2.gz DCDHOCGRTAXJGU-UHFFFAOYSA-N 0 0 449.515 2.090 50 0 IEAARN COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1N1CCc2ccccc2C1 ZINC000036592978 569121218 /nfs/dbraw/zinc/12/12/18/569121218.db2.gz XYVHLQSJMNANEA-WIYYLYMNSA-N 0 0 435.567 2.001 50 0 IEAARN Cc1cccc(CNC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)c1 ZINC000065254307 569122488 /nfs/dbraw/zinc/12/24/88/569122488.db2.gz LUEIAKNPNJXHOZ-UHFFFAOYSA-N 0 0 425.514 2.290 50 0 IEAARN CCN(CCNC(=O)c1nc2c(cnn2C)c(N2CCSCC2)n1)c1ccccc1 ZINC000065257206 569123317 /nfs/dbraw/zinc/12/33/17/569123317.db2.gz NOEWGGWDWJKKDY-UHFFFAOYSA-N 0 0 425.562 2.173 50 0 IEAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000036613302 569123689 /nfs/dbraw/zinc/12/36/89/569123689.db2.gz JGKHNRLQYJLVIO-UHFFFAOYSA-N 0 0 441.557 2.452 50 0 IEAARN COc1cc([C@H](CC(=O)NCCn2nccc2C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731131 569126328 /nfs/dbraw/zinc/12/63/28/569126328.db2.gz LCXLKIFNYAHXBI-INIZCTEOSA-N 0 0 427.457 2.211 50 0 biogenic IEAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000524732444 569126734 /nfs/dbraw/zinc/12/67/34/569126734.db2.gz DNANBBVJMNAFQL-IBGZPJMESA-N 0 0 436.603 2.404 50 0 IEAARN COC(=O)c1cc(=O)c2cc(NC(=O)C[C@@H](c3ccsc3)n3cnnn3)ccc2o1 ZINC000524733169 569127117 /nfs/dbraw/zinc/12/71/17/569127117.db2.gz BMLXWBNTNZSKPB-AWEZNQCLSA-N 0 0 425.426 2.246 50 0 IEAARN CSCC[C@H](NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1nnc2ccccn21 ZINC000524733465 569127859 /nfs/dbraw/zinc/12/78/59/569127859.db2.gz MCJGUDVJSCOUHV-INIZCTEOSA-N 0 0 438.513 2.146 50 0 IEAARN COC(=O)CC1CCN(C(=O)[C@H](CCSC)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000524734965 569127862 /nfs/dbraw/zinc/12/78/62/569127862.db2.gz VESOUHUCQWTDML-KRWDZBQOSA-N 0 0 433.530 2.198 50 0 IEAARN COc1ccc2cnn(CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)c(=O)c2c1OC ZINC000524734960 569127865 /nfs/dbraw/zinc/12/78/65/569127865.db2.gz NRIHDONILRPXDV-INIZCTEOSA-N 0 0 439.468 2.235 50 0 IEAARN Cc1nc2ncc3c(ccn(CC(=O)N[C@@H]4CCCc5c6ccccc6[nH]c54)c3=O)n2n1 ZINC000524735118 569128049 /nfs/dbraw/zinc/12/80/49/569128049.db2.gz WMQCVVDPVYKDQF-GOSISDBHSA-N 0 0 427.468 2.423 50 0 IEAARN COc1ccc(CNC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1 ZINC000065273312 569129400 /nfs/dbraw/zinc/12/94/00/569129400.db2.gz HFOZVMCKAFYEBB-QGZVFWFLSA-N 0 0 428.558 2.242 50 0 IEAARN CCCn1cc(CNC(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c(C)n1 ZINC000065273426 569129455 /nfs/dbraw/zinc/12/94/55/569129455.db2.gz BCWLFXSFCUVECQ-QGZVFWFLSA-N 0 0 444.605 2.148 50 0 IEAARN COc1ccc(CC(=O)N2CCN(c3nc4ccncc4n(CC(C)C)c3=O)CC2)cc1 ZINC000065292791 569130906 /nfs/dbraw/zinc/13/09/06/569130906.db2.gz IZNUEEDMPJUMFQ-UHFFFAOYSA-N 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569210162 /nfs/dbraw/zinc/21/01/62/569210162.db2.gz QEJZJPBHCCXGPG-GOSISDBHSA-N 0 0 426.519 2.478 50 0 IEAARN Cn1c2nc3n(cc(-c4cccs4)n3-c3ccc4c(c3)OCCO4)c2c(=O)n(C)c1=O ZINC000002234575 569211405 /nfs/dbraw/zinc/21/14/05/569211405.db2.gz VRYIZHSKUQQIAV-UHFFFAOYSA-N 0 0 435.465 2.175 50 0 IEAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(NC(C)=O)ccc3OC)n2N)c1 ZINC000002245596 569214327 /nfs/dbraw/zinc/21/43/27/569214327.db2.gz BAADIFRAUMWRKI-UHFFFAOYSA-N 0 0 442.501 2.365 50 0 IEAARN CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC(C(=O)OCC)CC1)OCO3 ZINC000002254199 569216641 /nfs/dbraw/zinc/21/66/41/569216641.db2.gz NHZFQQPWBHDJET-UHFFFAOYSA-N 0 0 445.472 2.287 50 0 IEAARN O=C(NCc1ccccc1)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 ZINC000002255630 569216795 /nfs/dbraw/zinc/21/67/95/569216795.db2.gz QEVBXUNWXQPYQB-UHFFFAOYSA-N 0 0 430.464 2.196 50 0 IEAARN O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 ZINC000014985557 569256790 /nfs/dbraw/zinc/25/67/90/569256790.db2.gz CFUAGJIYQCLOKA-OALUTQOASA-N 0 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O=C(NCCN1CCN(c2ccccc2)CC1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000056925363 569427637 /nfs/dbraw/zinc/42/76/37/569427637.db2.gz KCRXIFHSDNUPKQ-LJQANCHMSA-N 0 0 425.508 2.052 50 0 IEAARN O=C(NCc1ccco1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945847 569428114 /nfs/dbraw/zinc/42/81/14/569428114.db2.gz TWIHWHHHDJHUCZ-HXUWFJFHSA-N 0 0 440.475 2.308 50 0 IEAARN CC(C)CCn1c2c(nc1N1CCN(Cc3ccc(Cl)cc3)CC1)n(C)c(=O)[nH]c2=O ZINC000056952516 569428671 /nfs/dbraw/zinc/42/86/71/569428671.db2.gz WBIDALIPCSNDJN-UHFFFAOYSA-N 0 0 444.967 2.445 50 0 IEAARN COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccc(SC)c2)CC1 ZINC000056997882 569428966 /nfs/dbraw/zinc/42/89/66/569428966.db2.gz GGNMYMCSOWLSQT-UHFFFAOYSA-N 0 0 428.558 2.294 50 0 IEAARN COc1ccc(CCN2CC(=O)N(c3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000056998030 569428994 /nfs/dbraw/zinc/42/89/94/569428994.db2.gz XRBXLGJBKUXHIP-PMACEKPBSA-N 0 0 434.945 2.406 50 0 IEAARN Cc1ccccc1N1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000057270689 569430324 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556502921 /nfs/dbraw/zinc/50/29/21/556502921.db2.gz RDNVEYCMFCJACX-INIZCTEOSA-N 0 0 427.592 2.247 50 0 IEAARN CN1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2cccc(Br)c2)CC1 ZINC000013387940 556503724 /nfs/dbraw/zinc/50/37/24/556503724.db2.gz CSEIFZKIMCBSQI-PDGQHHTCSA-N 0 0 429.318 2.389 50 0 IEAARN COc1ccc(CCCN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC ZINC000015118188 556504742 /nfs/dbraw/zinc/50/47/42/556504742.db2.gz NDAXDGGTMIKFAI-UHFFFAOYSA-N 0 0 448.589 2.104 50 0 IEAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NCCc1ccc(OC)cc1 ZINC000015127307 556505180 /nfs/dbraw/zinc/50/51/80/556505180.db2.gz YCAYAFPGFFSMOH-UHFFFAOYSA-N 0 0 434.562 2.148 50 0 IEAARN COC(=O)CN(C(=S)Nc1ccccc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000013482152 556508201 /nfs/dbraw/zinc/50/82/01/556508201.db2.gz JQLFSBZDTHPYBR-KRWDZBQOSA-N 0 0 427.482 2.199 50 0 IEAARN C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013494687 556508781 /nfs/dbraw/zinc/50/87/81/556508781.db2.gz AAMKBLDQFJXQIZ-JTQLQIEISA-N 0 0 428.499 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C[C@H](CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000046140939 556691706 /nfs/dbraw/zinc/69/17/06/556691706.db2.gz QPCKCYQSWPHRFX-GOSISDBHSA-N 0 0 433.549 2.307 50 0 IEAARN O=C(c1ccccc1Cl)N(CCc1ccccc1)CCS(=O)(=O)N1CCNCC1 ZINC000046140858 556691809 /nfs/dbraw/zinc/69/18/09/556691809.db2.gz PMMLZAULORGPED-UHFFFAOYSA-N 0 0 435.977 2.260 50 0 IEAARN Cc1cccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C[C@H](C)c2ccccc2)c1 ZINC000046140943 556692192 /nfs/dbraw/zinc/69/21/92/556692192.db2.gz YBUAHQFTVHZCSU-FQEVSTJZSA-N 0 0 429.586 2.476 50 0 IEAARN Cc1ccccc1C1(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC000072313329 556693286 /nfs/dbraw/zinc/69/32/86/556693286.db2.gz ZLTSKQCSHMEELK-UHFFFAOYSA-N 0 0 426.561 2.172 50 0 IEAARN Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)n(C)n1 ZINC000013614530 556702870 /nfs/dbraw/zinc/70/28/70/556702870.db2.gz LFGPMKJLVXTALH-UHFFFAOYSA-N 0 0 430.490 2.205 50 0 IEAARN COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)sc2c1 ZINC000033026871 556704176 /nfs/dbraw/zinc/70/41/76/556704176.db2.gz GSOZTRPYJQFUBS-UHFFFAOYSA-N 0 0 449.558 2.386 50 0 IEAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CCN(C(=O)NC)C1 ZINC000065292090 556706861 /nfs/dbraw/zinc/70/68/61/556706861.db2.gz ZXHOPVBZZFOIEJ-GOSISDBHSA-N 0 0 448.511 2.206 50 0 IEAARN COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCC(OC)OC)c(C)n3n2)c1 ZINC000013660128 556708355 /nfs/dbraw/zinc/70/83/55/556708355.db2.gz BLRVMPURPRUJOC-UHFFFAOYSA-N 0 0 443.504 2.093 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000036086526 556714788 /nfs/dbraw/zinc/71/47/88/556714788.db2.gz NNBMHSSDONJVFP-UHFFFAOYSA-N 0 0 434.427 2.413 50 0 IEAARN Cc1ccc(C(=O)Nc2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)nc2)c(=O)n1C ZINC000072324749 556722445 /nfs/dbraw/zinc/72/24/45/556722445.db2.gz MQQDVHCRFXDLSI-SJORKVTESA-N 0 0 431.496 2.126 50 0 biogenic IEAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000061717961 556724439 /nfs/dbraw/zinc/72/44/39/556724439.db2.gz 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COc1cc(CN(C)C(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)cc(OC)c1OC ZINC000055104127 556734994 /nfs/dbraw/zinc/73/49/94/556734994.db2.gz VOKANLNUBQZYCI-INIZCTEOSA-N 0 0 433.505 2.314 50 0 IEAARN CCOC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000019312850 556735707 /nfs/dbraw/zinc/73/57/07/556735707.db2.gz FZWXYQNVEWYPKN-UHFFFAOYSA-N 0 0 444.575 2.495 50 0 IEAARN CCCn1c(=O)[nH]nc1SCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019315454 556735883 /nfs/dbraw/zinc/73/58/83/556735883.db2.gz ZDLVPMSVGJZXSN-UHFFFAOYSA-N 0 0 429.468 2.441 50 0 IEAARN CN(Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)Cc1ccc(-n2cccn2)cc1 ZINC000055199894 556737668 /nfs/dbraw/zinc/73/76/68/556737668.db2.gz FVERVQZVWUOPDH-HXUWFJFHSA-N 0 0 429.546 2.283 50 0 IEAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCC1CCOCC1 ZINC000055225168 556738359 /nfs/dbraw/zinc/73/83/59/556738359.db2.gz GVMVPWYQUNWIDA-XYASWCNUSA-N 0 0 429.561 2.174 50 0 IEAARN COc1cc(OC)c(OC)c2[nH]c(C(=O)NCc3ccnc(N4CCOCC4)c3)cc21 ZINC000033046854 556742742 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O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1 ZINC000263616995 568777439 /nfs/dbraw/zinc/77/74/39/568777439.db2.gz LOBQGWSURGWGRM-UHFFFAOYSA-N 0 0 430.443 2.414 50 0 IEAARN O=C(c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000263619132 568777811 /nfs/dbraw/zinc/77/78/11/568777811.db2.gz XBVLHQBJBGLLBA-HXUWFJFHSA-N 0 0 442.491 2.005 50 0 IEAARN COc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)cc1 ZINC000032106012 568781004 /nfs/dbraw/zinc/78/10/04/568781004.db2.gz CSONBRTZNOOOSG-MRXNPFEDSA-N 0 0 434.496 2.086 50 0 IEAARN CC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000032103699 568781062 /nfs/dbraw/zinc/78/10/62/568781062.db2.gz GCSMXCXJKCPLPD-SFHVURJKSA-N 0 0 430.486 2.206 50 0 IEAARN CC(=O)c1ccc(C(F)(F)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)n1C ZINC000083843751 568782827 /nfs/dbraw/zinc/78/28/27/568782827.db2.gz PZJDPTWRXYOGTL-UHFFFAOYSA-N 0 0 433.455 2.336 50 0 IEAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)c1 ZINC000223239179 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568821925 /nfs/dbraw/zinc/82/19/25/568821925.db2.gz GPEYUMQNPFOPMT-UHFFFAOYSA-N 0 0 442.497 2.290 50 0 IEAARN Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000015768565 568821947 /nfs/dbraw/zinc/82/19/47/568821947.db2.gz JKJZCCCLFPHPKO-JBVUFVISSA-N 0 0 445.541 2.413 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)[C@H]1CCCCN21 ZINC000015774356 568823093 /nfs/dbraw/zinc/82/30/93/568823093.db2.gz LRVXKHPZRLSUPN-LJQANCHMSA-N 0 0 448.589 2.045 50 0 IEAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](CC(=O)NCc1ccccc1)S2 ZINC000015775040 568823274 /nfs/dbraw/zinc/82/32/74/568823274.db2.gz AXQJSSZHROBGRZ-GOSISDBHSA-N 0 0 433.555 2.081 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCc1ccccc1 ZINC000015775596 568823395 /nfs/dbraw/zinc/82/33/95/568823395.db2.gz ZWMMNICFRHEOMB-JOCHJYFZSA-N 0 0 441.553 2.455 50 0 IEAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)CC1 ZINC000223418162 568826570 /nfs/dbraw/zinc/82/65/70/568826570.db2.gz 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COc1ccccc1NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2sc1=O ZINC000085651941 568831636 /nfs/dbraw/zinc/83/16/36/568831636.db2.gz NTHIDEUKWISKQH-UHFFFAOYSA-N 0 0 447.538 2.495 50 0 IEAARN COc1cccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)c1 ZINC000085651883 568831650 /nfs/dbraw/zinc/83/16/50/568831650.db2.gz NWAWHAOPEXKVFI-UHFFFAOYSA-N 0 0 447.538 2.495 50 0 IEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 ZINC000085658613 568833876 /nfs/dbraw/zinc/83/38/76/568833876.db2.gz UNHATJUQMONLJG-UHFFFAOYSA-N 0 0 425.551 2.268 50 0 IEAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c1C ZINC000085710486 568835029 /nfs/dbraw/zinc/83/50/29/568835029.db2.gz ONBZATCVRVYLQC-SFHVURJKSA-N 0 0 433.549 2.275 50 0 IEAARN CN1CCN(C(=O)Cn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)CC1 ZINC000085876697 568838516 /nfs/dbraw/zinc/83/85/16/568838516.db2.gz MQUGPEXLWAOEMD-UHFFFAOYSA-N 0 0 427.508 2.348 50 0 biogenic IEAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000015824227 568840402 /nfs/dbraw/zinc/84/04/02/568840402.db2.gz NDTAFUCSZNPUNM-UHFFFAOYSA-N 0 0 428.474 2.126 50 0 IEAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCc3ccccc3C1)n2C ZINC000006147844 568846437 /nfs/dbraw/zinc/84/64/37/568846437.db2.gz DRFYFRUSMBJNSK-UHFFFAOYSA-N 0 0 426.542 2.341 50 0 IEAARN COc1ccc(CCNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1OC ZINC000015858608 568846741 /nfs/dbraw/zinc/84/67/41/568846741.db2.gz MVEQHABYMMFHFH-UHFFFAOYSA-N 0 0 446.525 2.379 50 0 biogenic IEAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC ZINC000015867963 568851432 /nfs/dbraw/zinc/85/14/32/568851432.db2.gz WCWAXUJSCSHFPO-CQSZACIVSA-N 0 0 449.471 2.427 50 0 IEAARN COc1ccccc1NC(=O)CSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000015883474 568857734 /nfs/dbraw/zinc/85/77/34/568857734.db2.gz LCCFQXLMCSEBRJ-UHFFFAOYSA-N 0 0 428.514 2.495 50 0 IEAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccc(F)cc1 ZINC000015883490 568857770 /nfs/dbraw/zinc/85/77/70/568857770.db2.gz JKMJKDFCBDQDJS-UHFFFAOYSA-N 0 0 430.505 2.303 50 0 IEAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCCc1ccccc1 ZINC000015883694 568857812 /nfs/dbraw/zinc/85/78/12/568857812.db2.gz PUNYRCZVVQOYBI-UHFFFAOYSA-N 0 0 440.569 2.282 50 0 IEAARN COc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000015884063 568857972 /nfs/dbraw/zinc/85/79/72/568857972.db2.gz XYBGCHROGSMFSK-UHFFFAOYSA-N 0 0 443.511 2.419 50 0 IEAARN CNC(=O)C1CCN(C(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)CC1 ZINC000012935945 568864942 /nfs/dbraw/zinc/86/49/42/568864942.db2.gz LXPXSZOCMNSPDG-UHFFFAOYSA-N 0 0 443.475 2.450 50 0 IEAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)c(C)c1 ZINC000016047569 568868989 /nfs/dbraw/zinc/86/89/89/568868989.db2.gz XCCLHNZJRMODRQ-UHFFFAOYSA-N 0 0 431.452 2.244 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000012944455 568870448 /nfs/dbraw/zinc/87/04/48/568870448.db2.gz XRLKMZKNIRYPJQ-UHFFFAOYSA-N 0 0 438.571 2.444 50 0 IEAARN CCc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000012944471 568870482 /nfs/dbraw/zinc/87/04/82/568870482.db2.gz ZCJLRHRUUCEVTO-UHFFFAOYSA-N 0 0 438.571 2.389 50 0 IEAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000012945224 568870655 /nfs/dbraw/zinc/87/06/55/568870655.db2.gz PPZJXNQKSIHJNN-SJLPKXTDSA-N 0 0 446.500 2.270 50 0 IEAARN CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1C ZINC000012948603 568871586 /nfs/dbraw/zinc/87/15/86/568871586.db2.gz UAOQAYNMUNOGHG-UHFFFAOYSA-N 0 0 435.546 2.289 50 0 IEAARN Cc1cc(C)nc(SCC(=O)NC[C@@H](C)NC(=O)CSc2nc(C)cc(C)n2)n1 ZINC000001661665 568877436 /nfs/dbraw/zinc/87/74/36/568877436.db2.gz FSWYXNPASAGANE-OAHLLOKOSA-N 0 0 434.591 2.006 50 0 IEAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1 ZINC000575605285 568878080 /nfs/dbraw/zinc/87/80/80/568878080.db2.gz IVVXBUWJOZNPHC-UHFFFAOYSA-N 0 0 436.438 2.257 50 0 IEAARN COc1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nc(N2CCCCC2)n1 ZINC000575606869 568878210 /nfs/dbraw/zinc/87/82/10/568878210.db2.gz MGLQHNRXUUKOTA-UHFFFAOYSA-N 0 0 431.440 2.368 50 0 IEAARN COc1cccc(N2C[C@H](C(=O)NCc3nnc4n3CC[C@H](C(F)(F)F)C4)CC2=O)c1 ZINC000575607683 568878253 /nfs/dbraw/zinc/87/82/53/568878253.db2.gz OLSVQLUNJSBEKT-OLZOCXBDSA-N 0 0 437.422 2.081 50 0 IEAARN O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1cccc(-n2cnnn2)c1 ZINC000575608926 568878574 /nfs/dbraw/zinc/87/85/74/568878574.db2.gz YYMAIPQMXNFJKW-UHFFFAOYSA-N 0 0 425.412 2.345 50 0 IEAARN CCOc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4ncc(Cl)cn4)C3)C2=O)cc1 ZINC000575611188 568878968 /nfs/dbraw/zinc/87/89/68/568878968.db2.gz BSVFSVFOQUFYBU-SFHVURJKSA-N 0 0 445.907 2.451 50 0 IEAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575612765 568879522 /nfs/dbraw/zinc/87/95/22/568879522.db2.gz MOZPESZISXFRKC-INIZCTEOSA-N 0 0 436.921 2.208 50 0 IEAARN CCOc1ccc(S(=O)(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1C ZINC000575613843 568879713 /nfs/dbraw/zinc/87/97/13/568879713.db2.gz WLBXFSPNLQWGFF-UHFFFAOYSA-N 0 0 443.522 2.012 50 0 IEAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O ZINC000575613565 568879762 /nfs/dbraw/zinc/87/97/62/568879762.db2.gz TWEUHNJKKSKQJN-UHFFFAOYSA-N 0 0 447.467 2.296 50 0 IEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCOC(=O)[C@@H]32)c1 ZINC000221997472 568885059 /nfs/dbraw/zinc/88/50/59/568885059.db2.gz BFHNQXNIBXCPAE-IIBYNOLFSA-N 0 0 443.525 2.088 50 0 IEAARN O=C(NC[C@H]1CCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000226948853 568885617 /nfs/dbraw/zinc/88/56/17/568885617.db2.gz DPYANTLAOFTVRG-ZBFHGGJFSA-N 0 0 431.352 2.288 50 0 IEAARN Cc1ccc(N2CCC[C@@H](C(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)C2)nn1 ZINC000090592255 568888916 /nfs/dbraw/zinc/88/89/16/568888916.db2.gz NQKPGNQXJYERKF-GOSISDBHSA-N 0 0 436.491 2.181 50 0 IEAARN CCOC(=O)C1CCN(c2nc(C)cc(=O)n2CC(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000090610191 568892060 /nfs/dbraw/zinc/89/20/60/568892060.db2.gz USBHUYMSIXYLSK-UHFFFAOYSA-N 0 0 440.500 2.173 50 0 IEAARN O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000090612710 568892437 /nfs/dbraw/zinc/89/24/37/568892437.db2.gz LBRVMNJSKRKJDO-SFHVURJKSA-N 0 0 439.468 2.111 50 0 IEAARN Cc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000012986897 568895119 /nfs/dbraw/zinc/89/51/19/568895119.db2.gz BUGCZYGCPGGZHY-HXUWFJFHSA-N 0 0 427.526 2.093 50 0 IEAARN COc1ccc(C(=O)NCCC(=O)OC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000012983300 568895313 /nfs/dbraw/zinc/89/53/13/568895313.db2.gz JLHAMQZDQMZENE-UHFFFAOYSA-N 0 0 426.535 2.331 50 0 IEAARN COP(=O)(OC)C1(NCCNC2(P(=O)(OC)OC)CCOCC2)CCOCC1 ZINC000036359446 568896423 /nfs/dbraw/zinc/89/64/23/568896423.db2.gz UTYPXLZKZPDCKH-UHFFFAOYSA-N 0 0 444.402 2.151 50 0 IEAARN Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC000012997774 568896956 /nfs/dbraw/zinc/89/69/56/568896956.db2.gz LULKAZIGLXQOBP-UHFFFAOYSA-N 0 0 431.439 2.311 50 0 IEAARN NC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)sc2c1CCCC2 ZINC000013000324 568898630 /nfs/dbraw/zinc/89/86/30/568898630.db2.gz QAPIQDYZIPKJQU-UHFFFAOYSA-N 0 0 426.542 2.122 50 0 IEAARN CCOC(=O)C1=C(COC(=O)c2nccnc2-c2nc3ccccc3s2)NC(=O)NC1 ZINC000013000830 568898760 /nfs/dbraw/zinc/89/87/60/568898760.db2.gz RBUDTGBDKPWVDF-UHFFFAOYSA-N 0 0 439.453 2.040 50 0 IEAARN CC(CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000013008672 568899473 /nfs/dbraw/zinc/89/94/73/568899473.db2.gz QDCCPWDMYPTEDI-GHTZIAJQSA-N 0 0 440.565 2.144 50 0 IEAARN CC(C)(CNC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1)N1CCOCC1 ZINC000013010125 568899709 /nfs/dbraw/zinc/89/97/09/568899709.db2.gz GLGYQIPDYWSCOY-UHFFFAOYSA-N 0 0 442.585 2.446 50 0 IEAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1C ZINC000013012107 568901067 /nfs/dbraw/zinc/90/10/67/568901067.db2.gz SDTKPJKQKFUWBK-UHFFFAOYSA-N 0 0 435.502 2.188 50 0 IEAARN CC(C)CN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013019697 568902062 /nfs/dbraw/zinc/90/20/62/568902062.db2.gz FBBGIISXZZBQES-UHFFFAOYSA-N 0 0 441.532 2.204 50 0 IEAARN COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(CC(=O)c2ccccc2)c(=O)n1C ZINC000006444285 568907077 /nfs/dbraw/zinc/90/70/77/568907077.db2.gz LJNQSAAQAHLDKS-UHFFFAOYSA-N 0 0 443.463 2.339 50 0 IEAARN COCCn1c(C)cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n1C ZINC000006444624 568907272 /nfs/dbraw/zinc/90/72/72/568907272.db2.gz MUDXDBRKGHFVTR-UHFFFAOYSA-N 0 0 436.299 2.459 50 0 IEAARN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000242339020 568912729 /nfs/dbraw/zinc/91/27/29/568912729.db2.gz ZEFTUIRMYKYBTQ-OZOXKJRCSA-N 0 0 432.542 2.386 50 0 IEAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)N2CCC[C@H](C)C2)c1 ZINC000245253597 568913395 /nfs/dbraw/zinc/91/33/95/568913395.db2.gz IXOGKIYOAMPHTD-DLBZAZTESA-N 0 0 446.573 2.218 50 0 IEAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)NC3CCCC3)CC2)cc1 ZINC000245256350 568914069 /nfs/dbraw/zinc/91/40/69/568914069.db2.gz PJVACMWNGFOMBM-IYARVYRRSA-N 0 0 435.590 2.255 50 0 IEAARN COc1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@H]3C2=O)cc1OC ZINC000245312095 568914639 /nfs/dbraw/zinc/91/46/39/568914639.db2.gz SGNZOGHXIPCUNW-LZLYRXPVSA-N 0 0 438.461 2.182 50 0 IEAARN CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 ZINC000001864787 568917050 /nfs/dbraw/zinc/91/70/50/568917050.db2.gz WWDROQOEXLSDJN-IBGZPJMESA-N 0 0 444.454 2.379 50 0 IEAARN CCc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)sc1C ZINC000089282993 568918075 /nfs/dbraw/zinc/91/80/75/568918075.db2.gz HZIBMWXQOQSTAT-UHFFFAOYSA-N 0 0 436.555 2.309 50 0 IEAARN CNc1snc(C)c1C(=O)OCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000016554246 568921428 /nfs/dbraw/zinc/92/14/28/568921428.db2.gz OVUMDEZENKTJQA-CYBMUJFWSA-N 0 0 425.532 2.311 50 0 IEAARN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 ZINC000089420167 568924456 /nfs/dbraw/zinc/92/44/56/568924456.db2.gz KOUIGIMBPIURKF-KBXCAEBGSA-N 0 0 433.892 2.110 50 0 IEAARN CS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC1(c3ccccc3)CCOCC1)CCO2 ZINC000089490152 568926812 /nfs/dbraw/zinc/92/68/12/568926812.db2.gz YWLWRHVXIFUCFS-UHFFFAOYSA-N 0 0 444.553 2.154 50 0 IEAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)no1 ZINC000064450654 568928800 /nfs/dbraw/zinc/92/88/00/568928800.db2.gz PDXGRSCTYYJYTA-UHFFFAOYSA-N 0 0 440.481 2.309 50 0 IEAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NCCc4ccccc4)cc32)no1 ZINC000064450675 568928895 /nfs/dbraw/zinc/92/88/95/568928895.db2.gz UVSZDZSBRLXLEZ-UHFFFAOYSA-N 0 0 442.497 2.079 50 0 IEAARN CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000006547320 568930940 /nfs/dbraw/zinc/93/09/40/568930940.db2.gz AVZUVZFVRHMMJY-UHFFFAOYSA-N 0 0 431.923 2.161 50 0 IEAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)CC(C)C)n(C)c(=O)c(=O)n3C)CC1 ZINC000064526165 568931190 /nfs/dbraw/zinc/93/11/90/568931190.db2.gz CTMLBIIHDNKTMY-UHFFFAOYSA-N 0 0 444.532 2.001 50 0 IEAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)CCC(=O)NCc1cccs1)C2 ZINC000064565513 568932539 /nfs/dbraw/zinc/93/25/39/568932539.db2.gz YULOYQMEAMZWOX-UHFFFAOYSA-N 0 0 443.573 2.089 50 0 IEAARN COc1cc(NC(=O)Cn2c(C)cc3nc4sc(C)nn4c(=O)c32)cc(OC)c1OC 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COC(=O)c1c2c(sc1NC(=O)c1cc(C(=O)N3CCOCC3)nn1C)CCCCC2 ZINC000036612404 569123636 /nfs/dbraw/zinc/12/36/36/569123636.db2.gz FVNBLWCUPWTHSC-UHFFFAOYSA-N 0 0 446.529 2.262 50 0 IEAARN O=C(c1cccc(CN2CCCC2=O)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000013127257 569125101 /nfs/dbraw/zinc/12/51/01/569125101.db2.gz MNOBEIFVTDRQHH-UHFFFAOYSA-N 0 0 433.555 2.017 50 0 IEAARN COc1cc([C@H](CC(=O)NCCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731149 569126300 /nfs/dbraw/zinc/12/63/00/569126300.db2.gz LKMWDTOCYFDDNY-HNNXBMFYSA-N 0 0 443.456 2.330 50 0 biogenic IEAARN COc1cc([C@@H](CC(=O)NCCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731150 569126302 /nfs/dbraw/zinc/12/63/02/569126302.db2.gz LKMWDTOCYFDDNY-OAHLLOKOSA-N 0 0 443.456 2.330 50 0 biogenic IEAARN COc1cc([C@@H](CC(=O)NCCCn2ccnc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524732154 569126708 /nfs/dbraw/zinc/12/67/08/569126708.db2.gz ZOERPYATLYEMQV-MRXNPFEDSA-N 0 0 427.457 2.293 50 0 biogenic IEAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1c2ccccc2nc1C(F)(F)F ZINC000524733419 569127073 /nfs/dbraw/zinc/12/70/73/569127073.db2.gz QAGXGXDCLMVURA-HNNXBMFYSA-N 0 0 445.401 2.312 50 0 IEAARN CSCC[C@H](NC(=O)c1c2c(sc1-n1cnnn1)CCC2)c1nnc2ccccn21 ZINC000524735427 569128147 /nfs/dbraw/zinc/12/81/47/569128147.db2.gz BOPPVYSMUINFMR-ZDUSSCGKSA-N 0 0 440.558 2.479 50 0 IEAARN C=C1C(N2CCCN(C(=O)NCCOC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271918 569128712 /nfs/dbraw/zinc/12/87/12/569128712.db2.gz PTFINVBDHGZQED-UHFFFAOYSA-N 0 0 434.562 2.086 50 0 IEAARN O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3ccccn3)CC1)C2)N1CCOCC1 ZINC000065272728 569129120 /nfs/dbraw/zinc/12/91/20/569129120.db2.gz BVRVKQZSVHRQGI-QGZVFWFLSA-N 0 0 440.569 2.069 50 0 IEAARN Cc1nc(C)c(C(=O)NCCn2ncc3c2ncn(Cc2ccccc2F)c3=O)s1 ZINC000036653444 569130125 /nfs/dbraw/zinc/13/01/25/569130125.db2.gz QOZVQLGSDLFZOZ-UHFFFAOYSA-N 0 0 426.477 2.284 50 0 IEAARN CCOC(=O)N1CCN(c2nc3c(cnn3-c3ccc(Cl)cc3)c(NCCO)n2)CC1 ZINC000036656936 569130291 /nfs/dbraw/zinc/13/02/91/569130291.db2.gz UFJKXVFPTQJOQT-UHFFFAOYSA-N 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Cc1oc2c(c1C(=O)N(C)CC(=O)N1CCOCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291983 569130620 /nfs/dbraw/zinc/13/06/20/569130620.db2.gz BHTOYZIPBMGIEH-UHFFFAOYSA-N 0 0 429.492 2.216 50 0 IEAARN CCn1c2cnccc2nc(N2CCN(C(=O)Cc3ccc(OC)c(Cl)c3)CC2)c1=O ZINC000065292732 569130710 /nfs/dbraw/zinc/13/07/10/569130710.db2.gz MFMLIGXYLNJVGC-UHFFFAOYSA-N 0 0 441.919 2.365 50 0 IEAARN CC(C)Cn1c2cnccc2nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O ZINC000065292863 569130835 /nfs/dbraw/zinc/13/08/35/569130835.db2.gz SKVTXEBHJGVRGD-UHFFFAOYSA-N 0 0 445.520 2.098 50 0 IEAARN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c1=O ZINC000065292789 569130848 /nfs/dbraw/zinc/13/08/48/569130848.db2.gz IHTCJMIBEIORKV-UHFFFAOYSA-N 0 0 434.544 2.476 50 0 IEAARN Cc1ccccc1S(=O)(=O)N1CCN(c2nc3ccncc3n(CC(C)C)c2=O)CC1 ZINC000065292865 569130852 /nfs/dbraw/zinc/13/08/52/569130852.db2.gz RCGWHGZOJMTCTG-UHFFFAOYSA-N 0 0 441.557 2.267 50 0 IEAARN COc1ccccc1NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295825 569131495 /nfs/dbraw/zinc/13/14/95/569131495.db2.gz XJNPLCFDIFJZOP-UHFFFAOYSA-N 0 0 444.499 2.195 50 0 IEAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)NC1CCCCCC1 ZINC000065295671 569131508 /nfs/dbraw/zinc/13/15/08/569131508.db2.gz TWKXFTTWFQBDAH-UHFFFAOYSA-N 0 0 434.548 2.387 50 0 IEAARN COc1cccc(CN2CCCN(CC(=O)Nc3cc(OC)cc(OC)c3)S2(=O)=O)c1 ZINC000065302103 569132840 /nfs/dbraw/zinc/13/28/40/569132840.db2.gz VTSUUDCGCICNCJ-UHFFFAOYSA-N 0 0 449.529 2.104 50 0 IEAARN CC(=O)c1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1 ZINC000065305276 569133015 /nfs/dbraw/zinc/13/30/15/569133015.db2.gz PZTCICWXWVIILL-UHFFFAOYSA-N 0 0 439.497 2.370 50 0 IEAARN CC(C)Cn1c2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)n2c2ccsc2c1=O ZINC000065305256 569133089 /nfs/dbraw/zinc/13/30/89/569133089.db2.gz PSVJNVHGADNXEW-UHFFFAOYSA-N 0 0 433.440 2.445 50 0 IEAARN CCCCn1c2nn(CC(=O)N3CCc4ccccc4C3)c(=O)n2c2ccsc2c1=O ZINC000065305374 569133142 /nfs/dbraw/zinc/13/31/42/569133142.db2.gz SKNCSRQXGNPCLX-UHFFFAOYSA-N 0 0 437.525 2.257 50 0 IEAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2ccco2)c1=O)Nc1ccc(F)cc1 ZINC000065305516 569133317 /nfs/dbraw/zinc/13/33/17/569133317.db2.gz HQQOHYNFUUDWKI-UHFFFAOYSA-N 0 0 439.428 2.292 50 0 IEAARN CCc1cc(N2CCN(C(=O)Cc3ccccc3Br)CC2)nc2nncn21 ZINC000065311899 569133651 /nfs/dbraw/zinc/13/36/51/569133651.db2.gz CYWXMWJBWPDTPS-UHFFFAOYSA-N 0 0 429.322 2.341 50 0 IEAARN CCc1cc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc2nncn21 ZINC000065311898 569133667 /nfs/dbraw/zinc/13/36/67/569133667.db2.gz KSAYRJTXAKIYHC-UHFFFAOYSA-N 0 0 429.322 2.341 50 0 IEAARN Cc1nn(C)c(C)c1CNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311506 569133746 /nfs/dbraw/zinc/13/37/46/569133746.db2.gz UXEGPHWTPRVRIA-UHFFFAOYSA-N 0 0 434.544 2.175 50 0 IEAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCCc2ccncc2)CC3)CC1 ZINC000065313398 569135139 /nfs/dbraw/zinc/13/51/39/569135139.db2.gz XXHIVRRFYZKGBP-GOSISDBHSA-N 0 0 441.601 2.307 50 0 IEAARN O=C(NCCOc1ccc(F)cc1)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036708445 569135930 /nfs/dbraw/zinc/13/59/30/569135930.db2.gz UZOLDFZUUCRXTI-OAHLLOKOSA-N 0 0 433.461 2.451 50 0 IEAARN COc1ccc(CNC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 ZINC000065319821 569136021 /nfs/dbraw/zinc/13/60/21/569136021.db2.gz RNFYXTMFAXALDF-UHFFFAOYSA-N 0 0 445.570 2.407 50 0 IEAARN CC(C)Sc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1 ZINC000238814371 569136498 /nfs/dbraw/zinc/13/64/98/569136498.db2.gz BCBSHEMNUPEULU-UHFFFAOYSA-N 0 0 436.603 2.386 50 0 IEAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cc1 ZINC000238955547 569138157 /nfs/dbraw/zinc/13/81/57/569138157.db2.gz XWYXDZVFLJHDFZ-UHFFFAOYSA-N 0 0 443.500 2.143 50 0 IEAARN COc1cc(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc(Cl)c1OC ZINC000036806723 569138178 /nfs/dbraw/zinc/13/81/78/569138178.db2.gz ZGLDHHBDEIYOFZ-UHFFFAOYSA-N 0 0 442.903 2.323 50 0 IEAARN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)n1C ZINC000037008938 569139474 /nfs/dbraw/zinc/13/94/74/569139474.db2.gz VESVVTXGNGOHSI-UHFFFAOYSA-N 0 0 445.589 2.174 50 0 IEAARN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000065603635 569140049 /nfs/dbraw/zinc/14/00/49/569140049.db2.gz GABMKXWEZNXPPH-IBGZPJMESA-N 0 0 438.509 2.254 50 0 IEAARN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000065606553 569140170 /nfs/dbraw/zinc/14/01/70/569140170.db2.gz TYEWYAHPTHGVEM-INIZCTEOSA-N 0 0 427.592 2.145 50 0 IEAARN CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(CC)c1 ZINC000007425632 569140198 /nfs/dbraw/zinc/14/01/98/569140198.db2.gz AKKFABAQVYKTLV-INIZCTEOSA-N 0 0 429.521 2.028 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000037185746 569140673 /nfs/dbraw/zinc/14/06/73/569140673.db2.gz IBACISKUXZXGMT-FQEVSTJZSA-N 0 0 446.573 2.352 50 0 IEAARN CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(OC)cc2)NC(=S)N1C ZINC000037224377 569141053 /nfs/dbraw/zinc/14/10/53/569141053.db2.gz ZWLBDSMSFMWCMC-NPPFBWRTSA-N 0 0 428.510 2.307 50 0 IEAARN Nc1nccc([C@@H]2CCCN(Cc3nnc(C(=O)NCc4ccc(F)cc4)s3)C2)n1 ZINC000170616802 569146735 /nfs/dbraw/zinc/14/67/35/569146735.db2.gz OXRJILIPUMPCTO-CQSZACIVSA-N 0 0 427.509 2.359 50 0 IEAARN Cn1c2nc(NC3CCCCC3)n(C[C@@H](O)COc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000170624426 569148077 /nfs/dbraw/zinc/14/80/77/569148077.db2.gz GEYVXTHHSDMQLQ-CQSZACIVSA-N 0 0 447.923 2.261 50 0 IEAARN Cc1ccc(Oc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2cccc(C)c2)cc1 ZINC000170624408 569148187 /nfs/dbraw/zinc/14/81/87/569148187.db2.gz PHBOVAPTDMVRBA-MRXNPFEDSA-N 0 0 436.468 2.272 50 0 IEAARN COc1cccc(N2CCC[C@H](NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)C2)c1 ZINC000170630080 569148773 /nfs/dbraw/zinc/14/87/73/569148773.db2.gz XUVVUPTZHWMGEQ-INIZCTEOSA-N 0 0 438.571 2.354 50 0 IEAARN COc1ccc(/C=C/C(=O)Nc2ccc(-n3nnc(C(=O)NC4CC4)n3)cc2)cc1OC ZINC000071000905 569149228 /nfs/dbraw/zinc/14/92/28/569149228.db2.gz MYMPAOXHJDNHSA-UUILKARUSA-N 0 0 434.456 2.224 50 0 IEAARN C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009882756 569149798 /nfs/dbraw/zinc/14/97/98/569149798.db2.gz 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/nfs/dbraw/zinc/31/02/40/569310240.db2.gz GXTQQMGYVJHKCC-UHFFFAOYSA-N 0 0 445.892 2.125 50 0 IEAARN COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c21 ZINC000013147307 569312078 /nfs/dbraw/zinc/31/20/78/569312078.db2.gz GNWYYTXQNJTVRZ-QZQOTICOSA-N 0 0 447.538 2.010 50 0 IEAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NCCc1ccccc1F ZINC000013371952 569315068 /nfs/dbraw/zinc/31/50/68/569315068.db2.gz QTAGXJYQZJMEDN-ROUUACIJSA-N 0 0 431.938 2.251 50 0 IEAARN O=C([O-])[C@@H]1[NH2+][C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000002461896 569316288 /nfs/dbraw/zinc/31/62/88/569316288.db2.gz SRLOIPDJEPYJRI-ZJIFWQFVSA-N 0 0 449.232 2.197 50 0 IEAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cccc3nsnc32)cc1 ZINC000019077563 569316403 /nfs/dbraw/zinc/31/64/03/569316403.db2.gz ZLHQLIYXHGUNOM-RUNBWSAHSA-N 0 0 440.481 2.400 50 0 IEAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nonc2C(=O)N2CCCCC2)cs1 ZINC000078875565 569319762 /nfs/dbraw/zinc/31/97/62/569319762.db2.gz MYRXIOFKCNVPOC-UHFFFAOYSA-N 0 0 444.473 2.487 50 0 IEAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N[C@@H](C)CCc1cccn1C ZINC000078947233 569320303 /nfs/dbraw/zinc/32/03/03/569320303.db2.gz NUOLPONAYJSOGD-KSSFIOAISA-N 0 0 449.602 2.470 50 0 IEAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N[C@@H](C)CCc1cccn1C ZINC000078947235 569320326 /nfs/dbraw/zinc/32/03/26/569320326.db2.gz NUOLPONAYJSOGD-KBXCAEBGSA-N 0 0 449.602 2.470 50 0 IEAARN Cc1nc[nH]c1CNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000078976452 569321282 /nfs/dbraw/zinc/32/12/82/569321282.db2.gz WDGLYIJKRZNRQZ-KRWDZBQOSA-N 0 0 440.529 2.071 50 0 IEAARN COc1ccc(CCNC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1OC ZINC000019560616 569321724 /nfs/dbraw/zinc/32/17/24/569321724.db2.gz RUOOWPRGWGKLRZ-IBGZPJMESA-N 0 0 437.496 2.014 50 0 biogenic IEAARN Cc1c2ccccc2oc(=O)c1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000079021749 569322556 /nfs/dbraw/zinc/32/25/56/569322556.db2.gz MOMGXMQEWBHYAS-UHFFFAOYSA-N 0 0 436.493 2.129 50 0 IEAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2c(C)noc2C)c(=O)[nH]c1=O ZINC000019622978 569323480 /nfs/dbraw/zinc/32/34/80/569323480.db2.gz VEYDSZCALJQPEV-UHFFFAOYSA-N 0 0 425.489 2.300 50 0 IEAARN O=C(Cn1nc2ccccn2c1=O)Nc1cc(-c2ccc(Br)cc2)ncn1 ZINC000079055801 569323655 /nfs/dbraw/zinc/32/36/55/569323655.db2.gz FVOQVFLPMONAES-UHFFFAOYSA-N 0 0 425.246 2.354 50 0 IEAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C(C)C)cc1)c(=O)n2C ZINC000019625636 569323765 /nfs/dbraw/zinc/32/37/65/569323765.db2.gz PYLHNJQFLRJFTJ-UHFFFAOYSA-N 0 0 438.484 2.342 50 0 IEAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(NCCc4nn[nH]n4)c23)c1 ZINC000079061693 569323911 /nfs/dbraw/zinc/32/39/11/569323911.db2.gz CTQCMYKSUDDVIF-UHFFFAOYSA-N 0 0 428.547 2.420 50 0 IEAARN Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)n1 ZINC000079062635 569324298 /nfs/dbraw/zinc/32/42/98/569324298.db2.gz FHCSIJFVWOOJEF-OAHLLOKOSA-N 0 0 434.543 2.176 50 0 IEAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C1)OC(C)(C)CC3 ZINC000079189967 569327962 /nfs/dbraw/zinc/32/79/62/569327962.db2.gz JHFLIZBZAZEBEU-OAHLLOKOSA-N 0 0 433.526 2.441 50 0 biogenic IEAARN COC(=O)COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)ccc1OC ZINC000079191435 569328067 /nfs/dbraw/zinc/32/80/67/569328067.db2.gz JEBTWFNKPFFSSA-NQIIRXRSSA-N 0 0 440.404 2.419 50 0 biogenic IEAARN COC(=O)COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)ccc1OC ZINC000079191446 569328130 /nfs/dbraw/zinc/32/81/30/569328130.db2.gz JEBTWFNKPFFSSA-GHTZIAJQSA-N 0 0 440.404 2.419 50 0 biogenic IEAARN COC(=O)COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)cc1OC ZINC000079193427 569328185 /nfs/dbraw/zinc/32/81/85/569328185.db2.gz CHZQNUDYMAFKJG-RXVVDRJESA-N 0 0 440.404 2.419 50 0 biogenic IEAARN Cc1nc2ncc3c(ccn(CC(=O)NCCSc4ccc(Cl)cc4)c3=O)n2n1 ZINC000079494960 569331405 /nfs/dbraw/zinc/33/14/05/569331405.db2.gz NQMTZXGLSXXMJZ-UHFFFAOYSA-N 0 0 428.905 2.310 50 0 IEAARN CC(=O)NCCN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000020115020 569335022 /nfs/dbraw/zinc/33/50/22/569335022.db2.gz BFRQEYZUJRNOPJ-SFHVURJKSA-N 0 0 428.489 2.293 50 0 IEAARN CN1c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2N(C)S1(=O)=O ZINC000390826551 569353819 /nfs/dbraw/zinc/35/38/19/569353819.db2.gz AIWOPHDOTYIVGX-LBPRGKRZSA-N 0 0 434.905 2.462 50 0 IEAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCOC)c(O)c3c2)cc1 ZINC000020211870 569356237 /nfs/dbraw/zinc/35/62/37/569356237.db2.gz ISCNTLUJSVUDMH-UHFFFAOYSA-N 0 0 429.498 2.268 50 0 IEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NCc3ccc(F)cc3)C(C)C)ccc21 ZINC000020232012 569357145 /nfs/dbraw/zinc/35/71/45/569357145.db2.gz MBRKUYHXVTZUQC-NRFANRHFSA-N 0 0 447.532 2.354 50 0 IEAARN C[C@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000020234818 569357218 /nfs/dbraw/zinc/35/72/18/569357218.db2.gz USWMMHOQOFMPHQ-MRXNPFEDSA-N 0 0 429.542 2.377 50 0 IEAARN CCOC(=O)N1CCN(C(=O)C[S@](=O)Cc2nc(-c3ccc(OC)cc3)oc2C)CC1 ZINC000020241430 569357953 /nfs/dbraw/zinc/35/79/53/569357953.db2.gz OSTJLBHRFJLXLX-HKBQPEDESA-N 0 0 449.529 2.208 50 0 IEAARN CCOC(CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S@@]2=O)OCC ZINC000020243352 569358334 /nfs/dbraw/zinc/35/83/34/569358334.db2.gz MWHGZNGXEFDJDY-SSEXGKCCSA-N 0 0 430.526 2.470 50 0 IEAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N[C@@H](C)c1ccccc1 ZINC000020284954 569359028 /nfs/dbraw/zinc/35/90/28/569359028.db2.gz BMZUDJQCTNZXIS-LIRRHRJNSA-N 0 0 431.514 2.312 50 0 IEAARN CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000020287949 569359267 /nfs/dbraw/zinc/35/92/67/569359267.db2.gz XQZOPPAVPCKYKH-UWJYYQICSA-N 0 0 444.601 2.256 50 0 IEAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000020326659 569360539 /nfs/dbraw/zinc/36/05/39/569360539.db2.gz KJEBNHSZKIPNOQ-AWEZNQCLSA-N 0 0 445.497 2.180 50 0 IEAARN CCOC(=O)C1CCN(c2c(=O)c(=O)c2N2CCN(c3ccc(C)cc3)[C@@H](C)C2)CC1 ZINC000020331019 569360898 /nfs/dbraw/zinc/36/08/98/569360898.db2.gz CNLFHBBBFSMDRJ-KRWDZBQOSA-N 0 0 425.529 2.086 50 0 IEAARN COc1cc(-c2cc(N)n(S(=O)(=O)c3cccc4nsnc43)n2)cc(OC)c1OC ZINC000020330756 569361000 /nfs/dbraw/zinc/36/10/00/569361000.db2.gz YZEFYOQDOKGTGH-UHFFFAOYSA-N 0 0 447.498 2.400 50 0 IEAARN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2N2CCN(c3cccc(C)c3)[C@@H](C)C2)C1 ZINC000020377885 569362288 /nfs/dbraw/zinc/36/22/88/569362288.db2.gz VRIPOINWQOSWLJ-ZWKOTPCHSA-N 0 0 425.529 2.086 50 0 IEAARN CCn1c(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc2sccc21 ZINC000020382994 569362723 /nfs/dbraw/zinc/36/27/23/569362723.db2.gz UFCXUFZLZKRRFT-UHFFFAOYSA-N 0 0 432.590 2.413 50 0 IEAARN O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000095385647 569363217 /nfs/dbraw/zinc/36/32/17/569363217.db2.gz WOQMQAJWEVWPDS-OAQYLSRUSA-N 0 0 427.570 2.021 50 0 IEAARN O[C@@H](COc1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1)CN1CCOCC1 ZINC000020406346 569363818 /nfs/dbraw/zinc/36/38/18/569363818.db2.gz CVDONCXDFGWSON-XMMPIXPASA-N 0 0 443.563 2.215 50 0 IEAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)s1 ZINC000020414960 569364329 /nfs/dbraw/zinc/36/43/29/569364329.db2.gz HMHXSZJBDFXTNH-GOSISDBHSA-N 0 0 432.594 2.001 50 0 IEAARN O=C(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000020418957 569365229 /nfs/dbraw/zinc/36/52/29/569365229.db2.gz LACINVOYKJSSDO-UHFFFAOYSA-N 0 0 434.452 2.471 50 0 IEAARN CS[C@@H](CO)[C@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000095426679 569365952 /nfs/dbraw/zinc/36/59/52/569365952.db2.gz ITWWBQPHASYBPF-BBRMVZONSA-N 0 0 444.600 2.181 50 0 IEAARN COC(=O)COc1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c2cccnc12 ZINC000095426565 569365954 /nfs/dbraw/zinc/36/59/54/569365954.db2.gz AEHASRQIHJDBLV-UHFFFAOYSA-N 0 0 436.399 2.274 50 0 IEAARN Cc1cc(Br)c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cn1 ZINC000095442346 569366748 /nfs/dbraw/zinc/36/67/48/569366748.db2.gz URGSXOBIBNVDDA-UHFFFAOYSA-N 0 0 428.294 2.091 50 0 IEAARN NC(=O)[C@]1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCOC1 ZINC000095444927 569367181 /nfs/dbraw/zinc/36/71/81/569367181.db2.gz VDFYIOFLHOZEDK-KRWDZBQOSA-N 0 0 434.846 2.121 50 0 IEAARN C[C@H](CNC(=O)CC[C@H]1CCCO1)OC(=O)C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000095451359 569367889 /nfs/dbraw/zinc/36/78/89/569367889.db2.gz VJTQQCNUOUQYAT-RLLQIKCJSA-N 0 0 438.565 2.191 50 0 IEAARN COC(=O)[C@]1(NCC(=O)NCc2cccc(OC)c2)CCCN(Cc2ccccc2)C1 ZINC000095454695 569368387 /nfs/dbraw/zinc/36/83/87/569368387.db2.gz SEVQSTZIIXVLQF-DEOSSOPVSA-N 0 0 425.529 2.109 50 0 IEAARN CN(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1c(F)cccc1F ZINC000095455817 569368714 /nfs/dbraw/zinc/36/87/14/569368714.db2.gz YCZYVIYQTAMXAW-IBGZPJMESA-N 0 0 442.484 2.440 50 0 IEAARN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)C(C)C)CC2)cc1 ZINC000095457896 569369058 /nfs/dbraw/zinc/36/90/58/569369058.db2.gz GDFPCFAITRQIIF-UHFFFAOYSA-N 0 0 430.592 2.143 50 0 IEAARN CCCCn1c2nc(COC(=O)c3cc(=O)[nH]c(C(C)C)c3)n(CCC)c2c(=O)[nH]c1=O ZINC000095460142 569369598 /nfs/dbraw/zinc/36/95/98/569369598.db2.gz PDIWJYSOMXDTKF-UHFFFAOYSA-N 0 0 443.504 2.265 50 0 IEAARN Cn1c(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)nc2ccccc2c1=O ZINC000095467317 569371042 /nfs/dbraw/zinc/37/10/42/569371042.db2.gz UAEFNTZHSQSSOO-UHFFFAOYSA-N 0 0 432.436 2.474 50 0 IEAARN COc1ccc(OC)c(NC(=O)CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 ZINC000095466706 569371069 /nfs/dbraw/zinc/37/10/69/569371069.db2.gz MIQOQDXFICWAMB-OAQYLSRUSA-N 0 0 446.935 2.140 50 0 IEAARN O=C(Nc1n[nH]c([C@@H]2CCCO2)n1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000095472782 569372181 /nfs/dbraw/zinc/37/21/81/569372181.db2.gz NZOAYPMCCIJIQK-AWEZNQCLSA-N 0 0 425.898 2.492 50 0 IEAARN COCCn1cnc2ccc(NC(=O)CCCn3cnc4ccccc4c3=O)cc2c1=O ZINC000095473985 569372455 /nfs/dbraw/zinc/37/24/55/569372455.db2.gz OPCWOGYRBFWLEH-UHFFFAOYSA-N 0 0 433.468 2.172 50 0 IEAARN COc1ccccc1N1C[C@H](C(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)CC1=O ZINC000095474686 569372605 /nfs/dbraw/zinc/37/26/05/569372605.db2.gz BAULYBCOTPKIMX-OAHLLOKOSA-N 0 0 438.459 2.022 50 0 IEAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000095476213 569372892 /nfs/dbraw/zinc/37/28/92/569372892.db2.gz 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IEAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000012697875 524209750 /nfs/dbraw/zinc/20/97/50/524209750.db2.gz JNAFRYPBGFZIGY-LAJNKCICSA-N 0 0 427.482 2.265 50 0 IEAARN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000012650839 524248005 /nfs/dbraw/zinc/24/80/05/524248005.db2.gz KYTZGDRCDDPIIP-UHFFFAOYSA-N 0 0 426.878 2.014 50 0 IEAARN COc1ccc(Cn2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000020610611 524256215 /nfs/dbraw/zinc/25/62/15/524256215.db2.gz NBORDIWHEORJMZ-NRFANRHFSA-N 0 0 448.479 2.024 50 0 biogenic IEAARN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614182 524267344 /nfs/dbraw/zinc/26/73/44/524267344.db2.gz WXHZRDOTDZHQHK-SFHVURJKSA-N 0 0 425.485 2.160 50 0 IEAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035388067 524288430 /nfs/dbraw/zinc/28/84/30/524288430.db2.gz YJKOZZCLPQRXKQ-NSHDSACASA-N 0 0 425.514 2.031 50 0 IEAARN COc1ccccc1C(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035376524 524339728 /nfs/dbraw/zinc/33/97/28/524339728.db2.gz SBYOYODIBXTFST-UHFFFAOYSA-N 0 0 439.487 2.310 50 0 IEAARN Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1 ZINC000021264404 524420794 /nfs/dbraw/zinc/42/07/94/524420794.db2.gz HJWARHBHHVBANW-UHFFFAOYSA-N 0 0 442.585 2.412 50 0 IEAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000012744170 524460052 /nfs/dbraw/zinc/46/00/52/524460052.db2.gz FRMAEDXDYHTPNC-HXUWFJFHSA-N 0 0 433.512 2.394 50 0 IEAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)ncn2)n1 ZINC000035597285 524477150 /nfs/dbraw/zinc/47/71/50/524477150.db2.gz QUIYBWJRRZRVCT-UHFFFAOYSA-N 0 0 430.468 2.348 50 0 IEAARN C[C@H]1CN(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C[C@H](C)O1 ZINC000012632065 524480869 /nfs/dbraw/zinc/48/08/69/524480869.db2.gz NNWKKJSAXDUTQD-HOTGVXAUSA-N 0 0 438.480 2.395 50 0 IEAARN COc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000012776378 524486625 /nfs/dbraw/zinc/48/66/25/524486625.db2.gz GZEUXZDALJSSDB-UHFFFAOYSA-N 0 0 448.545 2.141 50 0 IEAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1Cl ZINC000015678639 524491048 /nfs/dbraw/zinc/49/10/48/524491048.db2.gz ZQGDSNCSBKIUCI-UHFFFAOYSA-N 0 0 435.889 2.449 50 0 IEAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccccc3C)S2(=O)=O)cc1OC ZINC000021629227 524492351 /nfs/dbraw/zinc/49/23/51/524492351.db2.gz AGMZVRNIJSALJU-UHFFFAOYSA-N 0 0 433.530 2.403 50 0 IEAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CS4)CC2)o1 ZINC000020577106 524495620 /nfs/dbraw/zinc/49/56/20/524495620.db2.gz ICXAJXSBVHNJKO-UHFFFAOYSA-N 0 0 449.554 2.349 50 0 IEAARN Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000020486995 524502950 /nfs/dbraw/zinc/50/29/50/524502950.db2.gz UPQQVYXQBQUCCS-UHFFFAOYSA-N 0 0 429.542 2.186 50 0 IEAARN Cc1ccc(CNC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)cc1 ZINC000035375685 524513215 /nfs/dbraw/zinc/51/32/15/524513215.db2.gz HQDBMOROINZEQI-UHFFFAOYSA-N 0 0 435.503 2.334 50 0 IEAARN Cc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021349 524515310 /nfs/dbraw/zinc/51/53/10/524515310.db2.gz BOEHTLOUHFEZJS-INIZCTEOSA-N 0 0 443.525 2.390 50 0 IEAARN Cc1cc(C)n(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)n1 ZINC000012554678 524521545 /nfs/dbraw/zinc/52/15/45/524521545.db2.gz SOXQKGXZWKNSMG-UHFFFAOYSA-N 0 0 433.578 2.171 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCCC(C)C)N(C)C3=O)cc1 ZINC000021875690 524555737 /nfs/dbraw/zinc/55/57/37/524555737.db2.gz ONSLVHUOUWQBAJ-QHCPKHFHSA-N 0 0 425.533 2.128 50 0 IEAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000020615013 524559158 /nfs/dbraw/zinc/55/91/58/524559158.db2.gz GGFWUJRXOIKWEQ-UHFFFAOYSA-N 0 0 427.526 2.041 50 0 IEAARN Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)Oc3ccccc3)CC2)c1 ZINC000012445065 524559132 /nfs/dbraw/zinc/55/91/32/524559132.db2.gz BSWQIQGWCPXRPT-LJQANCHMSA-N 0 0 431.558 2.031 50 0 IEAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000021650747 524559951 /nfs/dbraw/zinc/55/99/51/524559951.db2.gz YNNUEBIVFFUMCI-UHFFFAOYSA-N 0 0 437.905 2.190 50 0 IEAARN Cc1cccc(NC(=O)CCC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 ZINC000012926904 524585379 /nfs/dbraw/zinc/58/53/79/524585379.db2.gz VGBYCKBNZMEIAP-UHFFFAOYSA-N 0 0 443.548 2.491 50 0 IEAARN COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)cc1 ZINC000020284865 524589251 /nfs/dbraw/zinc/58/92/51/524589251.db2.gz KFTMEQPXFYELEP-SFHVURJKSA-N 0 0 433.486 2.082 50 0 IEAARN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000035482355 524615232 /nfs/dbraw/zinc/61/52/32/524615232.db2.gz RXKBGSQVCRMMPI-QGZVFWFLSA-N 0 0 445.497 2.126 50 0 IEAARN COc1ccc(NC(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)cc1 ZINC000021022046 524619235 /nfs/dbraw/zinc/61/92/35/524619235.db2.gz LGFXFFLQULMFRO-OAQYLSRUSA-N 0 0 443.525 2.396 50 0 IEAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012927642 524622057 /nfs/dbraw/zinc/62/20/57/524622057.db2.gz KMYCLQMQEMXUQA-LSDHHAIUSA-N 0 0 440.452 2.390 50 0 IEAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012927632 524622342 /nfs/dbraw/zinc/62/23/42/524622342.db2.gz KMYCLQMQEMXUQA-GJZGRUSLSA-N 0 0 440.452 2.390 50 0 IEAARN COc1ccccc1OCC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012759334 524656982 /nfs/dbraw/zinc/65/69/82/524656982.db2.gz NUXURDCLNREDBP-MRXNPFEDSA-N 0 0 428.489 2.109 50 0 IEAARN Cc1cccc(OCC(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)c1 ZINC000033275549 524715467 /nfs/dbraw/zinc/71/54/67/524715467.db2.gz SKLHSVMDDMHNJN-UHFFFAOYSA-N 0 0 449.555 2.307 50 0 IEAARN Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCCc3ccccc3)c3cccnc32)cc1 ZINC000035450326 524761030 /nfs/dbraw/zinc/76/10/30/524761030.db2.gz RCSGZRYEQPFDCP-UHFFFAOYSA-N 0 0 428.492 2.274 50 0 IEAARN C[C@@H]1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C[C@H](C)O1 ZINC000012232901 524791852 /nfs/dbraw/zinc/79/18/52/524791852.db2.gz KOZMBDJYZSBPMH-IJEWVQPXSA-N 0 0 425.514 2.255 50 0 IEAARN C[C@@H]1CN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)C[C@H](C)O1 ZINC000012152188 524795156 /nfs/dbraw/zinc/79/51/56/524795156.db2.gz AUOLWMTYZCEWOI-SRGWNRLKSA-N 0 0 439.487 2.444 50 0 IEAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N[C@@H](C)c3ccccc3)=C2)c1 ZINC000020551301 524811103 /nfs/dbraw/zinc/81/11/03/524811103.db2.gz PEJCKDLKEMWOPI-AWEZNQCLSA-N 0 0 429.498 2.444 50 0 IEAARN COc1ccc(OC)c(CCNC(=O)CCC2=Nc3cc(C)ccc3S(=O)(=O)N2)c1 ZINC000021880530 524817911 /nfs/dbraw/zinc/81/79/11/524817911.db2.gz PZPOTCJQEIJDQX-UHFFFAOYSA-N 0 0 431.514 2.473 50 0 IEAARN Cc1cc(CSc2ncccc2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)no1 ZINC000035307915 524820258 /nfs/dbraw/zinc/82/02/58/524820258.db2.gz SIHBCYJFAMSOOT-UHFFFAOYSA-N 0 0 429.546 2.051 50 0 IEAARN C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1 ZINC000012760235 524844149 /nfs/dbraw/zinc/84/41/49/524844149.db2.gz DOUFLOUPDXMCBD-NEPJUHHUSA-N 0 0 437.381 2.159 50 0 IEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012763657 524877233 /nfs/dbraw/zinc/87/72/33/524877233.db2.gz RYRBEIAROZNJHY-UHFFFAOYSA-N 0 0 430.526 2.339 50 0 IEAARN COc1ccc(OC)c([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCN(C)CC2)c1 ZINC000036059595 524895126 /nfs/dbraw/zinc/89/51/26/524895126.db2.gz NHISXLLYDQFZHI-LEWJYISDSA-N 0 0 429.561 2.210 50 0 IEAARN COc1ccc(OCC(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)cc1 ZINC000035405936 524930759 /nfs/dbraw/zinc/93/07/59/524930759.db2.gz LNUDOGNHOJLRGN-UHFFFAOYSA-N 0 0 434.496 2.322 50 0 IEAARN COc1ccc(OCCN2CCN(C(=O)c3cccc(N4C(=O)CCC4=O)c3)CC2)cc1 ZINC000022130810 524953819 /nfs/dbraw/zinc/95/38/19/524953819.db2.gz VHLASVWRPIANAH-UHFFFAOYSA-N 0 0 437.496 2.185 50 0 IEAARN COc1ccc(OCCNC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000012728499 524956842 /nfs/dbraw/zinc/95/68/42/524956842.db2.gz WIOFKUPDWBLJHW-UHFFFAOYSA-N 0 0 433.468 2.245 50 0 IEAARN COc1ccc(OC[C@@H](O)CN(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012390015 524967213 /nfs/dbraw/zinc/96/72/13/524967213.db2.gz WVPPMIXRLIUFKT-MOPGFXCFSA-N 0 0 435.542 2.133 50 0 IEAARN Cc1ccc(NC(=O)C(=O)NCCOC(=O)CCn2c3ccccc3sc2=O)cc1 ZINC000016292993 525001288 /nfs/dbraw/zinc/00/12/88/525001288.db2.gz VQEJPCHDQMFMRM-UHFFFAOYSA-N 0 0 427.482 2.060 50 0 IEAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000022980716 525002330 /nfs/dbraw/zinc/00/23/30/525002330.db2.gz KJBVIYGDBIWGBT-CQSZACIVSA-N 0 0 447.513 2.454 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3CC2CC2)cc1 ZINC000036038470 525022579 /nfs/dbraw/zinc/02/25/79/525022579.db2.gz OSBRQEJZMSNUNB-FQEVSTJZSA-N 0 0 435.590 2.433 50 0 IEAARN Cc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C ZINC000012680407 525035072 /nfs/dbraw/zinc/03/50/72/525035072.db2.gz INFYCNDJSYAGBZ-UHFFFAOYSA-N 0 0 428.514 2.443 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cn(C)c2ccccc12 ZINC000035325865 525035485 /nfs/dbraw/zinc/03/54/85/525035485.db2.gz YMQVRFSDOVVTQR-UHFFFAOYSA-N 0 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COc1cccc(CNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 ZINC000015770628 525969825 /nfs/dbraw/zinc/96/98/25/525969825.db2.gz QBSKASCQFJVULP-UHFFFAOYSA-N 0 0 437.949 2.418 50 0 IEAARN C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000012906504 525995106 /nfs/dbraw/zinc/99/51/06/525995106.db2.gz PYQXRGMFXOKAAC-KGLIPLIRSA-N 0 0 441.571 2.243 50 0 IEAARN COc1cccc(CNC(=O)c2cnc3sc(N4CCC[C@H](C)C4)nn3c2=O)c1OC ZINC000021537726 526008918 /nfs/dbraw/zinc/00/89/18/526008918.db2.gz XAMBOFRMRCLJDN-ZDUSSCGKSA-N 0 0 443.529 2.335 50 0 IEAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000022019991 526015016 /nfs/dbraw/zinc/01/50/16/526015016.db2.gz FYRWJNVGAGBKMV-WDEREUQCSA-N 0 0 432.618 2.038 50 0 IEAARN Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)nn1C ZINC000012443012 526060082 /nfs/dbraw/zinc/06/00/82/526060082.db2.gz UGGSZYFHGIIQGG-UHFFFAOYSA-N 0 0 430.490 2.205 50 0 IEAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000012697872 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568934422 /nfs/dbraw/zinc/93/44/22/568934422.db2.gz MKQBXXOZAACHFD-GOSISDBHSA-N 0 0 426.469 2.411 50 0 biogenic IEAARN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3)nc2O)cc1 ZINC000064591995 568935360 /nfs/dbraw/zinc/93/53/60/568935360.db2.gz OLALJYSZUQFLSE-UHFFFAOYSA-N 0 0 445.522 2.432 50 0 IEAARN COC(=O)c1cccc(NC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1 ZINC000064591138 568935482 /nfs/dbraw/zinc/93/54/82/568935482.db2.gz RKDSYOARXDEMCN-UHFFFAOYSA-N 0 0 439.472 2.144 50 0 IEAARN COc1ccc(CNC(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000064593003 568935597 /nfs/dbraw/zinc/93/55/97/568935597.db2.gz HCKCIPAMJBSARC-UHFFFAOYSA-N 0 0 439.472 2.436 50 0 IEAARN O=C1COc2ccc(S(=O)(=O)N3CCCCC3)cc2N1Cc1noc(C2CCC2)n1 ZINC000064605729 568939643 /nfs/dbraw/zinc/93/96/43/568939643.db2.gz DIRTXFWPYRMKOM-UHFFFAOYSA-N 0 0 432.502 2.437 50 0 IEAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)COC ZINC000036069569 568945453 /nfs/dbraw/zinc/94/54/53/568945453.db2.gz JLLDMGMAOZCFOX-IBGZPJMESA-N 0 0 439.560 2.374 50 0 IEAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)COC ZINC000036069937 568945509 /nfs/dbraw/zinc/94/55/09/568945509.db2.gz MLHOFUSCDWQEBC-UHFFFAOYSA-N 0 0 439.560 2.376 50 0 IEAARN CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(C)C ZINC000036074162 568946235 /nfs/dbraw/zinc/94/62/35/568946235.db2.gz FGWDFWMMNKASCE-UHFFFAOYSA-N 0 0 440.548 2.241 50 0 IEAARN CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)C(C)C ZINC000036073962 568946276 /nfs/dbraw/zinc/94/62/76/568946276.db2.gz YJGMBKBKKJGNHV-UHFFFAOYSA-N 0 0 425.533 2.305 50 0 IEAARN COc1ccc(OCCN2CC(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000036080510 568946562 /nfs/dbraw/zinc/94/65/62/568946562.db2.gz KTXHKUGLLXNQPU-FCHUYYIVSA-N 0 0 444.553 2.205 50 0 IEAARN CCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036085427 568947876 /nfs/dbraw/zinc/94/78/76/568947876.db2.gz XAWRURNCSQYXJP-UHFFFAOYSA-N 0 0 436.365 2.350 50 0 IEAARN CC[C@@H](C)NC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036085346 568947879 /nfs/dbraw/zinc/94/78/79/568947879.db2.gz VULMTZRDVJZHIT-CQSZACIVSA-N 0 0 426.448 2.119 50 0 IEAARN O=C(NCc1ccccn1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085499 568948095 /nfs/dbraw/zinc/94/80/95/568948095.db2.gz MQOACUOFXBCNIB-UHFFFAOYSA-N 0 0 449.417 2.046 50 0 IEAARN O=C(NC[C@H]1CCCO1)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085628 568948127 /nfs/dbraw/zinc/94/81/27/568948127.db2.gz VSCKYGLSIZPLCK-GOSISDBHSA-N 0 0 440.887 2.005 50 0 IEAARN CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036087268 568948610 /nfs/dbraw/zinc/94/86/10/568948610.db2.gz SGRQIIMLWPSXET-UHFFFAOYSA-N 0 0 426.448 2.072 50 0 IEAARN COCCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036086320 568948640 /nfs/dbraw/zinc/94/86/40/568948640.db2.gz LWRLLILIPLBQQX-UHFFFAOYSA-N 0 0 436.512 2.134 50 0 IEAARN COc1cccc(Cn2c(=O)c(C(=O)NCC3CC3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086445 568948670 /nfs/dbraw/zinc/94/86/70/568948670.db2.gz UAURSSHICIYAKK-UHFFFAOYSA-N 0 0 434.496 2.208 50 0 IEAARN Cc1cccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086868 568949173 /nfs/dbraw/zinc/94/91/73/568949173.db2.gz HKDOMHUZFDGNCK-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN Cc1cccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087012 568949322 /nfs/dbraw/zinc/94/93/22/568949322.db2.gz HRAQZAMMPORTJH-UHFFFAOYSA-N 0 0 441.491 2.384 50 0 IEAARN COc1cccc(-n2nc(C(=O)NCc3ccco3)c(=O)n(Cc3cccc(C)c3)c2=O)c1 ZINC000036087697 568949665 /nfs/dbraw/zinc/94/96/65/568949665.db2.gz PYNTYUPORNSIEE-UHFFFAOYSA-N 0 0 446.463 2.283 50 0 IEAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(-c3ccc(OC)cc3)ncc2c1=O ZINC000064747817 568950421 /nfs/dbraw/zinc/95/04/21/568950421.db2.gz HRJSDIVXGQOUMC-UHFFFAOYSA-N 0 0 445.435 2.287 50 0 IEAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2nc(-c3cccnc3)ncc2c1=O ZINC000064747813 568950487 /nfs/dbraw/zinc/95/04/87/568950487.db2.gz BLXVHABCXLKQNG-UHFFFAOYSA-N 0 0 430.424 2.064 50 0 IEAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000036094027 568950800 /nfs/dbraw/zinc/95/08/00/568950800.db2.gz MQUUKBUOGDHLIX-NRFANRHFSA-N 0 0 448.523 2.277 50 0 IEAARN COCCCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036093998 568950851 /nfs/dbraw/zinc/95/08/51/568950851.db2.gz QNEQIPVPMVYDQD-UHFFFAOYSA-N 0 0 436.512 2.134 50 0 IEAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000036094002 568950873 /nfs/dbraw/zinc/95/08/73/568950873.db2.gz DEKYPYDMUSITCP-NRFANRHFSA-N 0 0 448.523 2.277 50 0 IEAARN CC(C)CCn1c2nn(CC(=O)NCCc3ccccc3)c(=O)n2c2ccsc2c1=O ZINC000064775185 568954551 /nfs/dbraw/zinc/95/45/51/568954551.db2.gz XIKOSSYNHKFXQK-UHFFFAOYSA-N 0 0 439.541 2.277 50 0 IEAARN O=C(Cn1nc(N2CCN(c3ccc(F)cc3)CC2)ccc1=O)Nc1ccc(F)cc1 ZINC000064818155 568964344 /nfs/dbraw/zinc/96/43/44/568964344.db2.gz SEOWLJYXLOMDAK-UHFFFAOYSA-N 0 0 425.439 2.487 50 0 IEAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(C)=O)c2)cn1C ZINC000064819020 568965820 /nfs/dbraw/zinc/96/58/20/568965820.db2.gz CFTJQWGAYYCJHB-SFHVURJKSA-N 0 0 447.513 2.196 50 0 IEAARN CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000036163074 568967765 /nfs/dbraw/zinc/96/77/65/568967765.db2.gz HTIRTVKGVHRZQS-XLIONFOSSA-N 0 0 429.517 2.441 50 0 IEAARN COc1ccccc1CCC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000064835395 568968856 /nfs/dbraw/zinc/96/88/56/568968856.db2.gz LGRBNRAMCWPALS-UHFFFAOYSA-N 0 0 449.551 2.490 50 0 IEAARN C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCc3ccc4c(c3)OCO4)s2)C1 ZINC000064836734 568969399 /nfs/dbraw/zinc/96/93/99/568969399.db2.gz POTXPSGIHFTLOK-LBPRGKRZSA-N 0 0 427.486 2.046 50 0 IEAARN O=C(NCc1cccc(Br)c1)c1cc(=O)nc2sc(N3CCCC3)nn21 ZINC000064837052 568969576 /nfs/dbraw/zinc/96/95/76/568969576.db2.gz PXINCZQBBSTTQN-UHFFFAOYSA-N 0 0 434.319 2.444 50 0 IEAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)N1CCC3(CC1)OCCO3)c2=O ZINC000064842094 568970731 /nfs/dbraw/zinc/97/07/31/568970731.db2.gz BAZOAQRQIINPJH-UHFFFAOYSA-N 0 0 444.875 2.379 50 0 IEAARN CCN(Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206848 568972718 /nfs/dbraw/zinc/97/27/18/568972718.db2.gz OTTRAICQIUBQKW-CQSZACIVSA-N 0 0 425.551 2.466 50 0 IEAARN COCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036208627 568973606 /nfs/dbraw/zinc/97/36/06/568973606.db2.gz ICZQWAQTXJPVFU-QFIPXVFZSA-N 0 0 437.540 2.408 50 0 IEAARN COCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036208640 568973619 /nfs/dbraw/zinc/97/36/19/568973619.db2.gz WDQRSKSEUUGFLH-OAQYLSRUSA-N 0 0 429.561 2.285 50 0 IEAARN COCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036209247 568973750 /nfs/dbraw/zinc/97/37/50/568973750.db2.gz LVQBQQUYUPRUGI-LJQANCHMSA-N 0 0 447.532 2.301 50 0 IEAARN CCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000064861486 568973977 /nfs/dbraw/zinc/97/39/77/568973977.db2.gz XHZIEFDPNYHNTH-UHFFFAOYSA-N 0 0 432.521 2.429 50 0 IEAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000036210127 568974487 /nfs/dbraw/zinc/97/44/87/568974487.db2.gz KALIQLCWRIQJGS-OAQYLSRUSA-N 0 0 427.545 2.455 50 0 IEAARN CCNC(=S)N1CCC([C@H](NC(=O)c2cccc(OC)c2)C(=O)N[C@@H](C)CC)CC1 ZINC000036214517 568977312 /nfs/dbraw/zinc/97/73/12/568977312.db2.gz VSRRQLGURUJRSM-KXBFYZLASA-N 0 0 434.606 2.315 50 0 IEAARN Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)C(C)C)CC2)c1 ZINC000036215061 568977404 /nfs/dbraw/zinc/97/74/04/568977404.db2.gz PLOPSFNKWLMKPU-FQEVSTJZSA-N 0 0 435.590 2.166 50 0 IEAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000036214890 568977435 /nfs/dbraw/zinc/97/74/35/568977435.db2.gz ITGQVHXKSJUYAW-FQEVSTJZSA-N 0 0 435.590 2.166 50 0 IEAARN Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)c1 ZINC000064889584 568980457 /nfs/dbraw/zinc/98/04/57/568980457.db2.gz VARAJFCSJOINBQ-UHFFFAOYSA-N 0 0 443.525 2.089 50 0 IEAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccc(Cl)cc3)CC1)OCC(=O)N2 ZINC000064889598 568980478 /nfs/dbraw/zinc/98/04/78/568980478.db2.gz VSHGBTNMGONDRU-UHFFFAOYSA-N 0 0 449.916 2.126 50 0 IEAARN C[C@H]1Oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)c(Cl)cc2NC1=O ZINC000064889855 568980578 /nfs/dbraw/zinc/98/05/78/568980578.db2.gz HUUQKUZITFMTNT-CYBMUJFWSA-N 0 0 449.916 2.206 50 0 IEAARN Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)CC2)c1 ZINC000064889718 568980622 /nfs/dbraw/zinc/98/06/22/568980622.db2.gz SQDACLPULGBJOX-MRXNPFEDSA-N 0 0 443.525 2.170 50 0 IEAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1F ZINC000064890080 568980984 /nfs/dbraw/zinc/98/09/84/568980984.db2.gz LFBSTIVTTVPRCO-AWEZNQCLSA-N 0 0 447.488 2.000 50 0 IEAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(C)c4)CC3)cc2NC1=O ZINC000064890156 568981188 /nfs/dbraw/zinc/98/11/88/568981188.db2.gz YLTVTSBRICASTG-LJQANCHMSA-N 0 0 443.525 2.251 50 0 IEAARN CCn1c2ccc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)cc2[nH]c(=O)c1=O 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NRHACBXYWMFTGL-LJQANCHMSA-N 0 0 443.550 2.399 50 0 IEAARN Cc1ccc(Cl)cc1N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 ZINC000017121192 569174283 /nfs/dbraw/zinc/17/42/83/569174283.db2.gz IPJHJWMHSSLJFA-UHFFFAOYSA-N 0 0 430.940 2.368 50 0 IEAARN O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017155493 569175014 /nfs/dbraw/zinc/17/50/14/569175014.db2.gz LZEXNVPZROWNKC-UHFFFAOYSA-N 0 0 446.920 2.030 50 0 IEAARN O=C(NCCc1ccco1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000017169837 569175402 /nfs/dbraw/zinc/17/54/02/569175402.db2.gz RQNKPQOWEMXBPX-OAHLLOKOSA-N 0 0 438.552 2.393 50 0 IEAARN Cn1c2nc(NCCCn3ccnc3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000006444926 569178442 /nfs/dbraw/zinc/17/84/42/569178442.db2.gz LVBFAMOACYSXAH-UHFFFAOYSA-N 0 0 443.511 2.334 50 0 IEAARN CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002091553 569178637 /nfs/dbraw/zinc/17/86/37/569178637.db2.gz YGNLDEWVSYNWNH-HKBOAZHASA-N 0 0 436.556 2.361 50 0 biogenic IEAARN Cc1ccc(C(=O)O[C@@H]2C[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O[C@H]2CO)cc1 ZINC000252430844 569183427 /nfs/dbraw/zinc/18/34/27/569183427.db2.gz NXWFPHFVYAGVET-SVFBPWRDSA-N 0 0 449.463 2.309 50 0 IEAARN CC(C)C[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)NCCCOC(C)C ZINC000002128753 569184140 /nfs/dbraw/zinc/18/41/40/569184140.db2.gz KPDHGBNDPTXVDC-AABGKKOBSA-N 0 0 446.592 2.323 50 0 biogenic IEAARN C[C@@H](NC(=O)C[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn21 ZINC000252487875 569186658 /nfs/dbraw/zinc/18/66/58/569186658.db2.gz IDBOOEGBVJKDGS-IUODEOHRSA-N 0 0 426.864 2.275 50 0 IEAARN C[C@@H](NC(=O)C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn21 ZINC000252487874 569186734 /nfs/dbraw/zinc/18/67/34/569186734.db2.gz IDBOOEGBVJKDGS-DOMZBBRYSA-N 0 0 426.864 2.275 50 0 IEAARN Cc1c(C)n(-c2ccc(C(F)(F)F)cc2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n12 ZINC000010271909 569188300 /nfs/dbraw/zinc/18/83/00/569188300.db2.gz DNYQSYIAXFGZOC-UHFFFAOYSA-N 0 0 435.406 2.157 50 0 IEAARN CCN1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(N)=O)C1 ZINC000011667771 569188415 /nfs/dbraw/zinc/18/84/15/569188415.db2.gz CPISGHYNQFDSFI-UHFFFAOYSA-N 0 0 426.498 2.131 50 0 IEAARN COc1ccc(N2C(=O)N[C@H](CC(=O)N[C@@H](c3nccn3C)c3ccccc3)C2=O)cc1 ZINC000252509934 569188466 /nfs/dbraw/zinc/18/84/66/569188466.db2.gz YYTSFLYMBRINAV-UYAOXDASSA-N 0 0 433.468 2.354 50 0 IEAARN Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000012069976 569188586 /nfs/dbraw/zinc/18/85/86/569188586.db2.gz JGGQVYDQTNAUPG-UHFFFAOYSA-N 0 0 427.464 2.471 50 0 IEAARN CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@@H](c2ccccc2)C1 ZINC000252572361 569191218 /nfs/dbraw/zinc/19/12/18/569191218.db2.gz ZBXXWAPHKAFEAA-OAHLLOKOSA-N 0 0 430.498 2.360 50 0 IEAARN Cc1cc(C)cc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCOCC2)C(=O)CO3)c1 ZINC000037520078 569198262 /nfs/dbraw/zinc/19/82/62/569198262.db2.gz LVXNZUQZRGWZSO-UHFFFAOYSA-N 0 0 438.480 2.149 50 0 IEAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCOCC2)C(=O)CO3)cc1C ZINC000037520047 569198266 /nfs/dbraw/zinc/19/82/66/569198266.db2.gz HDPFKFLQSRETBJ-UHFFFAOYSA-N 0 0 438.480 2.149 50 0 IEAARN CCN(CC)C(=O)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O ZINC000037577135 569201409 /nfs/dbraw/zinc/20/14/09/569201409.db2.gz QKLICFRZNBRUNT-UHFFFAOYSA-N 0 0 425.533 2.226 50 0 IEAARN Cc1ccccc1CN1CCCn2nc(C(=O)N(C)CC(=O)NCc3ccco3)cc2C1=O ZINC000037579151 569201603 /nfs/dbraw/zinc/20/16/03/569201603.db2.gz OHBBFDMLUMXQSY-UHFFFAOYSA-N 0 0 449.511 2.219 50 0 IEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000252672056 569210053 /nfs/dbraw/zinc/21/00/53/569210053.db2.gz PBGMDUQRXSENJL-SFHVURJKSA-N 0 0 426.519 2.478 50 0 IEAARN COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1cccs1 ZINC000252677975 569210545 /nfs/dbraw/zinc/21/05/45/569210545.db2.gz BYKLUUYGMWELTD-QGZVFWFLSA-N 0 0 430.507 2.079 50 0 IEAARN O=C(C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2 ZINC000002938262 569212805 /nfs/dbraw/zinc/21/28/05/569212805.db2.gz PDSKMGFVNPQXRQ-UHFFFAOYSA-N 0 0 440.537 2.276 50 0 IEAARN COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(c(CO)c3c(c2OC)OCO3)CCN1C ZINC000019862302 569256941 /nfs/dbraw/zinc/25/69/41/569256941.db2.gz ZIKAXWHPAVNSPO-QZTJIDSGSA-N 0 0 443.452 2.374 50 0 IEAARN CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=S)n2ccnc2)[C@H]2OC(C)(C)O[C@H]21 ZINC000071769213 569258549 /nfs/dbraw/zinc/25/85/49/569258549.db2.gz DXYUORYHAHZYHZ-FSNPWBFUSA-N 0 0 448.497 2.150 50 0 IEAARN CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)cc1 ZINC000253394560 569264454 /nfs/dbraw/zinc/26/44/54/569264454.db2.gz AEBMYMPXDVBZOF-NEWSRXKRSA-N 0 0 449.507 2.024 50 0 biogenic IEAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000253396664 569264554 /nfs/dbraw/zinc/26/45/54/569264554.db2.gz AEECLOYCNHTCOS-FCEWJHQRSA-N 0 0 435.546 2.129 50 0 IEAARN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404167 569265186 /nfs/dbraw/zinc/26/51/86/569265186.db2.gz 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50 0 IEAARN Cc1ccc([C@@H](CNC(=O)c2nc3ccc(Br)cn3n2)N2CCOCC2)o1 ZINC000253431150 569268501 /nfs/dbraw/zinc/26/85/01/569268501.db2.gz UEACVNDWRRKQNP-CQSZACIVSA-N 0 0 434.294 2.197 50 0 IEAARN O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@H](CO)Cc1ccccc1 ZINC000253535923 569284191 /nfs/dbraw/zinc/28/41/91/569284191.db2.gz VNEZHAGFBCUOCK-SIKLNZKXSA-N 0 0 448.523 2.335 50 0 IEAARN Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 ZINC000057105696 569284292 /nfs/dbraw/zinc/28/42/92/569284292.db2.gz HNWLVGGTLIZZEY-UHFFFAOYSA-N 0 0 444.967 2.363 50 0 IEAARN COC(=O)C[C@H](c1c[nH]nc1-c1ccc(OC)cc1)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623755 569284331 /nfs/dbraw/zinc/28/43/31/569284331.db2.gz JUQIKMJDUMPPQN-CYBMUJFWSA-N 0 0 427.413 2.373 50 0 biogenic IEAARN COC(=O)C[C@@H](c1c[nH]nc1-c1ccc(OC)cc1)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623756 569284400 /nfs/dbraw/zinc/28/44/00/569284400.db2.gz JUQIKMJDUMPPQN-ZDUSSCGKSA-N 0 0 427.413 2.373 50 0 biogenic IEAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2cc3ccccc3n(CC(C)C)c2=O)C1=O ZINC000253623657 569284443 /nfs/dbraw/zinc/28/44/43/569284443.db2.gz DHYSADBHUKPPOK-CQSZACIVSA-N 0 0 439.468 2.258 50 0 biogenic IEAARN Cn1c2nc(NC[C@H](O)c3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000002372804 569289238 /nfs/dbraw/zinc/28/92/38/569289238.db2.gz JXFSKCCYCBSFHO-KRWDZBQOSA-N 0 0 439.903 2.281 50 0 IEAARN CC(=O)C1=NO[C@H](CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(C)(=O)=O)C1 ZINC000008857034 569291476 /nfs/dbraw/zinc/29/14/76/569291476.db2.gz MBHFRCWRDMDANJ-JTQLQIEISA-N 0 0 428.820 2.101 50 0 IEAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(O)c2)N1[C@H]1CCS(=O)(=O)C1 ZINC000027757611 569296916 /nfs/dbraw/zinc/29/69/16/569296916.db2.gz RMZWSYCVHIGJJN-RBZFPXEDSA-N 0 0 425.466 2.220 50 0 IEAARN CC(C)COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCCO)cc1 ZINC000002433289 569303380 /nfs/dbraw/zinc/30/33/80/569303380.db2.gz BILRNCXTDMBDKI-YBFXNURJSA-N 0 0 426.469 2.330 50 0 IEAARN COc1ccc(/C=c2\sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 ZINC000002445389 569304394 /nfs/dbraw/zinc/30/43/94/569304394.db2.gz ZUJZDOJMHLGUPE-MFOYZWKCSA-N 0 0 425.466 2.400 50 0 IEAARN COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@@H]24)O3)cc1 ZINC000012897339 569305012 /nfs/dbraw/zinc/30/50/12/569305012.db2.gz ZXPRRSWBQCPNJX-OUMCCJGNSA-N 0 0 434.492 2.349 50 0 IEAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 ZINC000013038109 569307760 /nfs/dbraw/zinc/30/77/60/569307760.db2.gz UCBMUGOMNLZSPM-AWEZNQCLSA-N 0 0 441.475 2.288 50 0 IEAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 ZINC000013038108 569307808 /nfs/dbraw/zinc/30/78/08/569307808.db2.gz UCBMUGOMNLZSPM-CQSZACIVSA-N 0 0 441.475 2.288 50 0 IEAARN CCC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000013039940 569307959 /nfs/dbraw/zinc/30/79/59/569307959.db2.gz METYCDWHCWJLQT-CQSZACIVSA-N 0 0 437.484 2.196 50 0 IEAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)CC2=O)cc1 ZINC000013346322 569312875 /nfs/dbraw/zinc/31/28/75/569312875.db2.gz SRZLMQGDIYIVAA-GOSISDBHSA-N 0 0 441.553 2.317 50 0 IEAARN CN1CCN(C(=O)c2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000013387796 569315346 /nfs/dbraw/zinc/31/53/46/569315346.db2.gz IENGVWAPSPQHSM-UHFFFAOYSA-N 0 0 434.496 2.089 50 0 IEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(OC)c(C)c2)c1 ZINC000078729338 569318692 /nfs/dbraw/zinc/31/86/92/569318692.db2.gz GJPGOGLXVDPTQX-UHFFFAOYSA-N 0 0 447.557 2.080 50 0 IEAARN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000078805961 569318971 /nfs/dbraw/zinc/31/89/71/569318971.db2.gz IVVCIEVCRYYIRN-HXUWFJFHSA-N 0 0 444.557 2.335 50 0 IEAARN COc1ccc(C(=O)NCC(=O)NCc2cccc(C(=O)Nc3ccncc3)c2)cc1OC ZINC000078813493 569319165 /nfs/dbraw/zinc/31/91/65/569319165.db2.gz SWTHCURMNUCZHB-UHFFFAOYSA-N 0 0 448.479 2.397 50 0 IEAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000078878549 569319903 /nfs/dbraw/zinc/31/99/03/569319903.db2.gz HHNCIHAVWPPZGG-VBQJREDUSA-N 0 0 443.541 2.302 50 0 IEAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N[C@H](C)CCc1cccn1C ZINC000078947242 569320306 /nfs/dbraw/zinc/32/03/06/569320306.db2.gz NUOLPONAYJSOGD-KDOFPFPSSA-N 0 0 449.602 2.470 50 0 IEAARN COc1ccc(C(=O)NC[C@](C)(O)c2ccc(C)o2)cc1S(=O)(=O)NC1CCCC1 ZINC000078941843 569320372 /nfs/dbraw/zinc/32/03/72/569320372.db2.gz PQTCWDJSFVBPFC-NRFANRHFSA-N 0 0 436.530 2.455 50 0 IEAARN CN(CC(=O)NC(=O)Nc1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000019532970 569320726 /nfs/dbraw/zinc/32/07/26/569320726.db2.gz VHVIEASPHLEMJC-UHFFFAOYSA-N 0 0 444.289 2.466 50 0 IEAARN CCCN(CC(=O)NCCOc1ccc(OCC)cc1)S(=O)(=O)N1CCCCC1 ZINC000078991098 569321420 /nfs/dbraw/zinc/32/14/20/569321420.db2.gz MLKALQPPXMJYSW-UHFFFAOYSA-N 0 0 427.567 2.023 50 0 IEAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cscn2)[C@@H](CNC(=O)c2cscn2)C1 ZINC000079019106 569322262 /nfs/dbraw/zinc/32/22/62/569322262.db2.gz UVBNYLNLBZUZEV-LBPRGKRZSA-N 0 0 437.547 2.091 50 0 IEAARN O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 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50 0 IEAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)cc1 ZINC000021702437 525587744 /nfs/dbraw/zinc/58/77/44/525587744.db2.gz DDZJQPWGQZATAD-CYBMUJFWSA-N 0 0 436.515 2.456 50 0 IEAARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)c(C)c1 ZINC000020991634 525594574 /nfs/dbraw/zinc/59/45/74/525594574.db2.gz XGPNYLQVVOLZGK-UHFFFAOYSA-N 0 0 442.541 2.255 50 0 IEAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1F)O[C@@H](C)C(=O)N2 ZINC000035452536 525611589 /nfs/dbraw/zinc/61/15/89/525611589.db2.gz OSVRSULHSJRTGH-NSHDSACASA-N 0 0 439.440 2.252 50 0 IEAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)cc2NC1=O ZINC000012783824 525612411 /nfs/dbraw/zinc/61/24/11/525612411.db2.gz QIEDCMZRCZIUPE-MQJDWESPSA-N 0 0 440.481 2.349 50 0 IEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCCC1)OCC(=O)N2 ZINC000035449125 525615983 /nfs/dbraw/zinc/61/59/83/525615983.db2.gz HLSDGQINZKNBTA-KRWDZBQOSA-N 0 0 435.546 2.318 50 0 IEAARN Cc1cc2c(nc(SCC(N)=O)n(NC(=O)CSCc3ccccc3)c2=O)s1 ZINC000017099139 525625224 /nfs/dbraw/zinc/62/52/24/525625224.db2.gz BRTLUQAAWDAIBU-UHFFFAOYSA-N 0 0 434.568 2.347 50 0 IEAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2cccnc2)c2cccs2)cc1 ZINC000020614638 525627709 /nfs/dbraw/zinc/62/77/09/525627709.db2.gz DSCMGUKRTZEVPE-IBGZPJMESA-N 0 0 443.550 2.399 50 0 IEAARN Cc1cc2c(s1)n(CC(=O)Nc1ccc(C(N)=O)cc1)c(=O)n(-c1ccccc1)c2=O ZINC000041090802 525629199 /nfs/dbraw/zinc/62/91/99/525629199.db2.gz DSOBQXLFZKETJR-UHFFFAOYSA-N 0 0 434.477 2.260 50 0 IEAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCCN3CCOCC3)c3ccccc23)cc1 ZINC000022767602 525632225 /nfs/dbraw/zinc/63/22/25/525632225.db2.gz VWHHIKWYBNPBHJ-UHFFFAOYSA-N 0 0 441.553 2.231 50 0 IEAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000021331462 525637427 /nfs/dbraw/zinc/63/74/27/525637427.db2.gz RUKRVYXWFRFHJE-MRXNPFEDSA-N 0 0 446.525 2.316 50 0 IEAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000012441161 525744600 /nfs/dbraw/zinc/74/46/00/525744600.db2.gz OMKYIJZPJLTEJX-UHFFFAOYSA-N 0 0 426.498 2.285 50 0 IEAARN Cc1c(Cl)cccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021869953 525759435 /nfs/dbraw/zinc/75/94/35/525759435.db2.gz BVEUFKQMDACTOC-HXUWFJFHSA-N 0 0 441.981 2.464 50 0 IEAARN Cc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)N2CCOCC2)o1 ZINC000012850817 525761410 /nfs/dbraw/zinc/76/14/10/525761410.db2.gz JTDTXSXYOOWXAS-HXUWFJFHSA-N 0 0 447.557 2.176 50 0 IEAARN C[C@@H](O)CNC(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1 ZINC000012135709 525801766 /nfs/dbraw/zinc/80/17/66/525801766.db2.gz MICDVPNOZOWYPQ-OAHLLOKOSA-N 0 0 439.487 2.335 50 0 IEAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccc(Cl)cc1 ZINC000021528737 525804077 /nfs/dbraw/zinc/80/40/77/525804077.db2.gz LOAYIWTZMXYENP-NRFANRHFSA-N 0 0 449.960 2.019 50 0 IEAARN COc1cccc(C(=O)N2[C@@H](C(=O)N3CCN(C(C)=O)CC3)COC23CCC(C)CC3)c1 ZINC000036017744 525810759 /nfs/dbraw/zinc/81/07/59/525810759.db2.gz KSKCLHWGDXSXDI-SSSUMRQXSA-N 0 0 443.544 2.133 50 0 IEAARN Cc1ccsc1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000020994391 525832695 /nfs/dbraw/zinc/83/26/95/525832695.db2.gz VBMJSYOQJTXFHE-CQSZACIVSA-N 0 0 449.554 2.251 50 0 IEAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(OC)c(OC)c3)=C2)c1 ZINC000020467460 525859113 /nfs/dbraw/zinc/85/91/13/525859113.db2.gz IUOYADUDUQNJNW-UHFFFAOYSA-N 0 0 431.470 2.214 50 0 IEAARN C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012640446 525884133 /nfs/dbraw/zinc/88/41/33/525884133.db2.gz WIWUSZDRLNXMGK-YWZLYKJASA-N 0 0 439.468 2.183 50 0 IEAARN C[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012925177 525885046 /nfs/dbraw/zinc/88/50/46/525885046.db2.gz RZBRDPQNDCNIKB-AWEZNQCLSA-N 0 0 448.479 2.172 50 0 IEAARN C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000017261861 525890653 /nfs/dbraw/zinc/89/06/53/525890653.db2.gz MZIRIJXICFHTBD-LBPRGKRZSA-N 0 0 426.441 2.241 50 0 IEAARN COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)CSC)CC3)C2=O)c1OC ZINC000012100159 525927878 /nfs/dbraw/zinc/92/78/78/525927878.db2.gz ZFEGOUATNIAADP-OAQYLSRUSA-N 0 0 435.546 2.116 50 0 IEAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000012919805 525958165 /nfs/dbraw/zinc/95/81/65/525958165.db2.gz XTKGNSQKOPKBNB-HHNLSAEISA-N 0 0 430.526 2.348 50 0 IEAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CSc3nncn3C)C2)c1 ZINC000012206323 525967430 /nfs/dbraw/zinc/96/74/30/525967430.db2.gz CVHUHMYEFPFBPC-INIZCTEOSA-N 0 0 431.562 2.251 50 0 IEAARN COc1cccc(CNC(=O)c2cnc3sc(N4CCC[C@@H](C)C4)nn3c2=O)c1OC ZINC000021537724 526008843 /nfs/dbraw/zinc/00/88/43/526008843.db2.gz XAMBOFRMRCLJDN-CYBMUJFWSA-N 0 0 443.529 2.335 50 0 IEAARN COc1cccc(CNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)c1OC ZINC000015732809 526008943 /nfs/dbraw/zinc/00/89/43/526008943.db2.gz SFZBAKJJKQJSOS-UHFFFAOYSA-N 0 0 443.529 2.479 50 0 IEAARN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000022019994 526014464 /nfs/dbraw/zinc/01/44/64/526014464.db2.gz FYRWJNVGAGBKMV-MNOVXSKESA-N 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441.915 2.461 50 0 IEAARN O=C(NCCc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000020722458 526402690 /nfs/dbraw/zinc/40/26/90/526402690.db2.gz FRNJXKMOGZQTBL-UHFFFAOYSA-N 0 0 438.915 2.465 50 0 IEAARN O=C(CCC1CCN(C(=O)CCn2cnnn2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012707114 526408178 /nfs/dbraw/zinc/40/81/78/526408178.db2.gz AYWCYBLLVOUTAM-UHFFFAOYSA-N 0 0 438.454 2.417 50 0 IEAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012903449 526432858 /nfs/dbraw/zinc/43/28/58/526432858.db2.gz MWZHMHPOKYDUHA-UHFFFAOYSA-N 0 0 441.509 2.486 50 0 IEAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000020995485 526461228 /nfs/dbraw/zinc/46/12/28/526461228.db2.gz CEFDDSIIIPVVLP-MOEXGYKKSA-N 0 0 435.502 2.006 50 0 IEAARN O=C(NCCc1nnc2ccccn21)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012763455 526463864 /nfs/dbraw/zinc/46/38/64/526463864.db2.gz GNSQTCFNDKQLBM-ZDUSSCGKSA-N 0 0 428.290 2.204 50 0 IEAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccccc2)CC1 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CN1CCN(S(=O)(=O)c2ccc(SCC(=O)c3c[nH]c4ccccc43)nc2)CC1 ZINC000034892423 555927300 /nfs/dbraw/zinc/92/73/00/555927300.db2.gz RIBLQEYYXWXUKG-UHFFFAOYSA-N 0 0 430.555 2.474 50 0 IEAARN CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(OC)cc1 ZINC000003364436 555927330 /nfs/dbraw/zinc/92/73/30/555927330.db2.gz DUZGDSULMSCBFL-UHFFFAOYSA-N 0 0 447.542 2.352 50 0 IEAARN CC1CCC2(CC1)OC[C@H](C(=O)NCCN1CCOCC1)N2C(=O)c1ccc(F)cc1 ZINC000034920286 555931142 /nfs/dbraw/zinc/93/11/42/555931142.db2.gz YXPJNHGWWNFCRC-WEQDKIBNSA-N 0 0 433.524 2.022 50 0 IEAARN CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 ZINC000003977837 555951870 /nfs/dbraw/zinc/95/18/70/555951870.db2.gz XSFJVAJPIHIPKU-YTVAGEQHSA-N 0 0 434.504 2.275 50 0 IEAARN COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000004112404 555963401 /nfs/dbraw/zinc/96/34/01/555963401.db2.gz CZCYWGTVNNUEQB-ZQAYVECASA-N 0 0 434.485 2.416 50 0 biogenic IEAARN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000004763030 556010286 /nfs/dbraw/zinc/01/02/86/556010286.db2.gz HDAAHSBIRUHTPW-XPGWFJOJSA-N 0 0 427.501 2.246 50 0 IEAARN O=C(COC(=O)c1sccc1S(=O)(=O)NC1CC1)Nc1ccnn1C1CCCC1 ZINC000010565893 556071494 /nfs/dbraw/zinc/07/14/94/556071494.db2.gz SQZMNIBGJYFDHN-UHFFFAOYSA-N 0 0 438.531 2.296 50 0 IEAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1 ZINC000006553292 556094159 /nfs/dbraw/zinc/09/41/59/556094159.db2.gz RAALKPQMOOHLIY-SFHVURJKSA-N 0 0 430.413 2.325 50 0 IEAARN COCCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cc(C)cc1C)c(=O)n2CC(C)C ZINC000010579604 556094577 /nfs/dbraw/zinc/09/45/77/556094577.db2.gz XMSUGDVQVSRTBR-UHFFFAOYSA-N 0 0 441.532 2.226 50 0 IEAARN CCOC(=O)c1ccc(NC(=O)Cn2ccc3c(OCC(=O)OC)cccc3c2=O)cc1 ZINC000002712406 556125681 /nfs/dbraw/zinc/12/56/81/556125681.db2.gz BTLXSWLCDXGTFY-UHFFFAOYSA-N 0 0 438.436 2.369 50 0 IEAARN Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(C)cc(=O)oc4c3)C2)cnn1C ZINC000002732186 556134851 /nfs/dbraw/zinc/13/48/51/556134851.db2.gz QFCHKJZNCZDWSE-OAHLLOKOSA-N 0 0 444.513 2.183 50 0 IEAARN CCn1ncc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)c1C(N)=O ZINC000002780987 556141883 /nfs/dbraw/zinc/14/18/83/556141883.db2.gz ASDDRNYUESHONJ-UHFFFAOYSA-N 0 0 435.282 2.471 50 0 IEAARN Cc1ccc(Cn2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)cn2)cc1 ZINC000002806587 556146074 /nfs/dbraw/zinc/14/60/74/556146074.db2.gz CJAXKHLGWYIQOC-GOSISDBHSA-N 0 0 442.545 2.013 50 0 IEAARN Cc1ccc(Cn2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)cn2)cc1 ZINC000002806586 556146145 /nfs/dbraw/zinc/14/61/45/556146145.db2.gz CJAXKHLGWYIQOC-SFHVURJKSA-N 0 0 442.545 2.013 50 0 IEAARN COc1ccccc1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007706 556156746 /nfs/dbraw/zinc/15/67/46/556156746.db2.gz DHSLOABLSAWSDW-UHFFFAOYSA-N 0 0 435.480 2.008 50 0 IEAARN COc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 ZINC000003007718 556157037 /nfs/dbraw/zinc/15/70/37/556157037.db2.gz HTFYVJWVXNLOMH-UHFFFAOYSA-N 0 0 449.507 2.050 50 0 IEAARN COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000008440861 556176497 /nfs/dbraw/zinc/17/64/97/556176497.db2.gz IAXPYJPMDHVWRW-UHFFFAOYSA-N 0 0 444.484 2.328 50 0 IEAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(F)cc3F)=C2)c1 ZINC000008587803 556188298 /nfs/dbraw/zinc/18/82/98/556188298.db2.gz YPAXDUHOSNTSFD-UHFFFAOYSA-N 0 0 437.424 2.484 50 0 IEAARN CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCN(C(=O)OCC)C2 ZINC000008637015 556194974 /nfs/dbraw/zinc/19/49/74/556194974.db2.gz FUIWCTNFFFMDPM-UHFFFAOYSA-N 0 0 440.591 2.384 50 0 IEAARN Cc1cc(C)c(S(=O)(=O)N(C)CCO)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008754492 556210990 /nfs/dbraw/zinc/21/09/90/556210990.db2.gz RIXXZJUGYRCYKY-UHFFFAOYSA-N 0 0 446.978 2.395 50 0 IEAARN O=C(NCc1ccccn1)[C@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000008792515 556216364 /nfs/dbraw/zinc/21/63/64/556216364.db2.gz RQLZILOXHMFMSJ-WTEVXDJOSA-N 0 0 428.492 2.204 50 0 biogenic IEAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccncc4)C(=O)[C@@H]13)O2 ZINC000008792469 556216371 /nfs/dbraw/zinc/21/63/71/556216371.db2.gz JVWWLZIATOOHAQ-WTEVXDJOSA-N 0 0 428.492 2.204 50 0 biogenic IEAARN COCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008815964 556217390 /nfs/dbraw/zinc/21/73/90/556217390.db2.gz KNQRQVOHZNRGLV-KRWDZBQOSA-N 0 0 445.541 2.301 50 0 IEAARN COCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008816428 556217748 /nfs/dbraw/zinc/21/77/48/556217748.db2.gz JRDNGOJTTGXBJO-OAHLLOKOSA-N 0 0 449.504 2.132 50 0 IEAARN CCc1oc(C(=O)OC)cc1CNS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl ZINC000008816576 556218033 /nfs/dbraw/zinc/21/80/33/556218033.db2.gz MMQCDIVHKGHYHT-UHFFFAOYSA-N 0 0 428.850 2.205 50 0 IEAARN O=C(NCc1cccnc1)[C@H](CCO)Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000008818362 556218327 /nfs/dbraw/zinc/21/83/27/556218327.db2.gz JITSVBWBHXBFRB-HNNXBMFYSA-N 0 0 430.555 2.418 50 0 IEAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(NC(=O)c2ccncc2)C1=S ZINC000009076093 556245090 /nfs/dbraw/zinc/24/50/90/556245090.db2.gz BVUUEBMELJACCO-OAHLLOKOSA-N 0 0 431.905 2.226 50 0 IEAARN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O ZINC000009259559 556267709 /nfs/dbraw/zinc/26/77/09/556267709.db2.gz XTBJINXSTHMCON-WUXMJOGZSA-N 0 0 427.251 2.311 50 0 IEAARN COC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O ZINC000009261183 556268958 /nfs/dbraw/zinc/26/89/58/556268958.db2.gz BFVBUMRAITUVTD-BJMVGYQFSA-N 0 0 449.222 2.215 50 0 IEAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(C)=O)c3)=C2)c1 ZINC000009290141 556273987 /nfs/dbraw/zinc/27/39/87/556273987.db2.gz BILLDIBIZYUMMO-UHFFFAOYSA-N 0 0 443.481 2.408 50 0 IEAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(OC)c(OC)c3)=C2)cc1 ZINC000009290026 556274018 /nfs/dbraw/zinc/27/40/18/556274018.db2.gz CWAYDDYERJEKHI-UHFFFAOYSA-N 0 0 431.470 2.214 50 0 IEAARN CN(CC(=O)NCc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013691068 556280481 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556665661 /nfs/dbraw/zinc/66/56/61/556665661.db2.gz WUSRIWXIRGJUBZ-MRXNPFEDSA-N 0 0 429.498 2.023 50 0 IEAARN CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011866970 556667195 /nfs/dbraw/zinc/66/71/95/556667195.db2.gz FTHXNBPWNYRIIN-BXKMTCNYSA-N 0 0 442.512 2.004 50 0 biogenic IEAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000011906363 556671640 /nfs/dbraw/zinc/67/16/40/556671640.db2.gz ZEKIUZOAQKLVSC-UHFFFAOYSA-N 0 0 445.316 2.316 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000011916806 556674972 /nfs/dbraw/zinc/67/49/72/556674972.db2.gz DHHJLXHBQWWDGC-UHFFFAOYSA-N 0 0 446.529 2.458 50 0 IEAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000011978249 556677973 /nfs/dbraw/zinc/67/79/73/556677973.db2.gz ZWMQHOUDJQRTMP-UHFFFAOYSA-N 0 0 430.891 2.216 50 0 IEAARN COc1ccc(OCCNC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)cc1 ZINC000012003339 556680262 /nfs/dbraw/zinc/68/02/62/556680262.db2.gz MFHRDWWVLONGRJ-UHFFFAOYSA-N 0 0 438.889 2.224 50 0 IEAARN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021383 556686137 /nfs/dbraw/zinc/68/61/37/556686137.db2.gz PKZXUZFDBKTTSZ-CQSZACIVSA-N 0 0 445.497 2.066 50 0 IEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cnc4ccccc4n3)c(=O)n2[C@H]1c1ccccc1 ZINC000018197016 556686338 /nfs/dbraw/zinc/68/63/38/556686338.db2.gz LWJQELRPMOIPCL-SRKIZSPNSA-N 0 0 442.500 2.351 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@](C)(O)C1)n2CC ZINC000072312619 556687724 /nfs/dbraw/zinc/68/77/24/556687724.db2.gz ZQMAFNMRPGHXTH-NRFANRHFSA-N 0 0 436.578 2.003 50 0 IEAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018283295 556689025 /nfs/dbraw/zinc/68/90/25/556689025.db2.gz HDVZQUUOZDTAEB-GOSISDBHSA-N 0 0 426.469 2.297 50 0 IEAARN CCCCCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000046140881 556691881 /nfs/dbraw/zinc/69/18/81/556691881.db2.gz MNEVJINIDGEAHI-UHFFFAOYSA-N 0 0 446.411 2.317 50 0 IEAARN COc1ccccc1C(=O)N(CCS(=O)(=O)N1CCNCC1)C[C@H](C)c1ccccc1 ZINC000046140952 556692007 /nfs/dbraw/zinc/69/20/07/556692007.db2.gz PJNBRVXEQJUGJS-IBGZPJMESA-N 0 0 445.585 2.176 50 0 IEAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)N3CCC4(CC3)OCCO4)CC2)c1C ZINC000033024078 556694556 /nfs/dbraw/zinc/69/45/56/556694556.db2.gz CPGUZLYLUFITAU-UHFFFAOYSA-N 0 0 447.532 2.026 50 0 IEAARN COc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC(C)C)CC3)s2)cc1 ZINC000033024618 556696168 /nfs/dbraw/zinc/69/61/68/556696168.db2.gz ZFWNNMSUBMCVTR-UHFFFAOYSA-N 0 0 431.518 2.176 50 0 IEAARN CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 ZINC000013554386 556697105 /nfs/dbraw/zinc/69/71/05/556697105.db2.gz NADIQAMWQNCJAE-HOIFWPIMSA-N 0 0 443.544 2.354 50 0 IEAARN COc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NC4CC4)CC3)s2)cc1 ZINC000033025014 556699114 /nfs/dbraw/zinc/69/91/14/556699114.db2.gz DITUGBQLWHSBQL-UHFFFAOYSA-N 0 0 443.529 2.320 50 0 IEAARN CCCCn1c2nc(CN3CCC[C@@H]3c3nc4ccccc4n3C)n(C)c2c(=O)[nH]c1=O ZINC000072314364 556699419 /nfs/dbraw/zinc/69/94/19/556699419.db2.gz FOWOGXVNBMUQBT-QGZVFWFLSA-N 0 0 435.532 2.447 50 0 IEAARN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)N1CCN(c2ncccn2)CC1 ZINC000033031860 556712602 /nfs/dbraw/zinc/71/26/02/556712602.db2.gz CDLUMRNDLHMLSK-UHFFFAOYSA-N 0 0 434.475 2.312 50 0 IEAARN O=C(CC[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000019226504 556717099 /nfs/dbraw/zinc/71/70/99/556717099.db2.gz OEGWYEBQVCEDOM-JOCHJYFZSA-N 0 0 436.556 2.297 50 0 IEAARN Cc1cc(C)n(-c2ccc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)nn2)n1 ZINC000011139564 556719592 /nfs/dbraw/zinc/71/95/92/556719592.db2.gz SQKNTVULEQTNNF-UHFFFAOYSA-N 0 0 440.485 2.491 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4c(nn3C)CSC4)CC2)cc1 ZINC000061719865 556726836 /nfs/dbraw/zinc/72/68/36/556726836.db2.gz GECCDPPIYQKTOE-UHFFFAOYSA-N 0 0 436.559 2.215 50 0 IEAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)Nc1nccs1 ZINC000061720013 556726890 /nfs/dbraw/zinc/72/68/90/556726890.db2.gz 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COC(=O)Nc1ccccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000079051054 556738093 /nfs/dbraw/zinc/73/80/93/556738093.db2.gz DYHURLPFDYPOEV-UHFFFAOYSA-N 0 0 437.474 2.141 50 0 IEAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)n2)cc1OC ZINC000080329544 556738908 /nfs/dbraw/zinc/73/89/08/556738908.db2.gz USWDBAFEFVLAJK-GAJHUEQPSA-N 0 0 427.501 2.081 50 0 IEAARN O=C(NCCN1CCCS1(=O)=O)Nc1ccc(I)cc1Cl ZINC000061749478 556739654 /nfs/dbraw/zinc/73/96/54/556739654.db2.gz RKTQOUPJGBKUCY-UHFFFAOYSA-N 0 0 443.694 2.102 50 0 IEAARN CCCS(=O)(=O)c1ncc(CN(C)Cc2ccc3nonc3c2)n1C[C@H]1CCCO1 ZINC000055360297 556740733 /nfs/dbraw/zinc/74/07/33/556740733.db2.gz RHXCMYDILBAMRZ-QGZVFWFLSA-N 0 0 433.534 2.414 50 0 IEAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc4c(c3)OCO4)n2)cc1 ZINC000013800674 556742204 /nfs/dbraw/zinc/74/22/04/556742204.db2.gz VURXSOAHWUXQQY-UHFFFAOYSA-N 0 0 437.452 2.233 50 0 IEAARN CN(CCc1cnn(C)c1)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000055568744 556742410 /nfs/dbraw/zinc/74/24/10/556742410.db2.gz IMLWRYZGPKYDFQ-UHFFFAOYSA-N 0 0 426.496 2.184 50 0 IEAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCn3cnc4ccccc43)C2=O)cc1 ZINC000206230138 556748751 /nfs/dbraw/zinc/74/87/51/556748751.db2.gz MJMNWFYLTVAWQP-LJQANCHMSA-N 0 0 435.484 2.062 50 0 IEAARN Cc1nnc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Br)cc2)n1C1CC1 ZINC000057985027 556750130 /nfs/dbraw/zinc/75/01/30/556750130.db2.gz PIOXVXQFTJMJNV-JTQLQIEISA-N 0 0 427.324 2.335 50 0 IEAARN COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000057994356 556751486 /nfs/dbraw/zinc/75/14/86/556751486.db2.gz JLMQKLFPURSFFY-UHFFFAOYSA-N 0 0 439.486 2.085 50 0 IEAARN O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCCN1CCOCC1 ZINC000019376156 556751840 /nfs/dbraw/zinc/75/18/40/556751840.db2.gz OKBPHAKSJJAABH-UHFFFAOYSA-N 0 0 426.904 2.165 50 0 IEAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1c(C)nn(C)c1C ZINC000058015957 556753988 /nfs/dbraw/zinc/75/39/88/556753988.db2.gz GTKGUWYPGCLSAQ-KRWDZBQOSA-N 0 0 430.505 2.155 50 0 IEAARN Cc1nccn1-c1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)ccn1 ZINC000058063376 556756235 /nfs/dbraw/zinc/75/62/35/556756235.db2.gz AMFOYIHCEILKCK-UHFFFAOYSA-N 0 0 445.570 2.281 50 0 IEAARN COc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4ccc(=O)[nH]n4)c3)CC2=O)cc1OC ZINC000058113693 556759194 /nfs/dbraw/zinc/75/91/94/556759194.db2.gz BJNAKTDDYUJUNT-OAHLLOKOSA-N 0 0 434.452 2.446 50 0 IEAARN CCOC(=O)CN(Cn1nc(N2CCOCC2)n(Cc2ccccc2)c1=S)C1CC1 ZINC000058162793 556766016 /nfs/dbraw/zinc/76/60/16/556766016.db2.gz DSYPNZYPLZEKSE-UHFFFAOYSA-N 0 0 431.562 2.284 50 0 IEAARN CCOC(=O)c1ccc(N2CCN(C(=O)NCCc3cccc(OC)c3OC)CC2)nc1 ZINC000058162860 556766297 /nfs/dbraw/zinc/76/62/97/556766297.db2.gz YATWGRRPGQQEBO-UHFFFAOYSA-N 0 0 442.516 2.350 50 0 IEAARN Cc1c(C(=O)NCC(=O)N(C)Cc2ccncc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058172076 556768579 /nfs/dbraw/zinc/76/85/79/556768579.db2.gz XCUPGSMJLPMYIN-UHFFFAOYSA-N 0 0 432.406 2.378 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(-n4cccn4)nc3)CC2)s1 ZINC000058174759 556769144 /nfs/dbraw/zinc/76/91/44/556769144.db2.gz GQCZGLKKXNDAOL-UHFFFAOYSA-N 0 0 432.531 2.176 50 0 IEAARN CCOC(Cn1cc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)nn1)OCC ZINC000058175224 556769163 /nfs/dbraw/zinc/76/91/63/556769163.db2.gz MTNLUHJUNLQAGF-UHFFFAOYSA-N 0 0 430.505 2.421 50 0 IEAARN CC(=O)[C@H]1CC(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)=NN1c1ccccc1 ZINC000058226985 556773837 /nfs/dbraw/zinc/77/38/37/556773837.db2.gz OLORSWYTHAIHNZ-HSZRJFAPSA-N 0 0 447.539 2.430 50 0 IEAARN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000058227572 556773993 /nfs/dbraw/zinc/77/39/93/556773993.db2.gz AKNYRNAQCPDBRL-UHFFFAOYSA-N 0 0 441.532 2.446 50 0 IEAARN CC(C)(O)CN1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CC1 ZINC000058267730 556776712 /nfs/dbraw/zinc/77/67/12/556776712.db2.gz FQBFLHUMXAQEPN-UHFFFAOYSA-N 0 0 431.846 2.193 50 0 IEAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(OCc3ccncc3)c2)C[C@H](C)O1 ZINC000058379637 556784220 /nfs/dbraw/zinc/78/42/20/556784220.db2.gz BYGHNYOZENQJKR-IRXDYDNUSA-N 0 0 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557231288 /nfs/dbraw/zinc/23/12/88/557231288.db2.gz SSOIFOUGTABUDC-ZDUSSCGKSA-N 0 0 434.474 2.230 50 0 IEAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ncn3n2)cc1 ZINC000011666431 557231539 /nfs/dbraw/zinc/23/15/39/557231539.db2.gz BJJHWWAFECMJAU-UHFFFAOYSA-N 0 0 447.451 2.382 50 0 IEAARN CNC(=O)c1ccc(CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C2CC2)cc1 ZINC000026116644 557234897 /nfs/dbraw/zinc/23/48/97/557234897.db2.gz HLXRVPSBUMJWHB-CMJOXMDJSA-N 0 0 426.517 2.038 50 0 IEAARN N=c1oc2c(I)cc(I)cc2cc1C(N)=O ZINC000098212168 557235436 /nfs/dbraw/zinc/23/54/36/557235436.db2.gz HWARNFPBPIENKE-UHFFFAOYSA-N 0 0 439.978 2.220 50 0 IEAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4N=CC=C[C@H]34)C2O)cc1 ZINC000018084498 557235663 /nfs/dbraw/zinc/23/56/63/557235663.db2.gz UTYXMQOBMVGVFW-IVAOSVALSA-N 0 0 429.432 2.209 50 0 IEAARN O=C(NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccnc(OC2CCOCC2)c1 ZINC000390827605 557238422 /nfs/dbraw/zinc/23/84/22/557238422.db2.gz IGVAGRRBHXMTFK-KRWDZBQOSA-N 0 0 441.440 2.123 50 0 IEAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3nnc4ccccn43)CC2)c1 ZINC000026277456 557238432 /nfs/dbraw/zinc/23/84/32/557238432.db2.gz FSEDUQAVBPXXKM-QGZVFWFLSA-N 0 0 442.545 2.123 50 0 IEAARN CCN1c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583649131 557240089 /nfs/dbraw/zinc/24/00/89/557240089.db2.gz ZDYLMBZLMFLURS-IBGZPJMESA-N 0 0 428.514 2.378 50 0 IEAARN C[C@@]1(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000026457799 557241365 /nfs/dbraw/zinc/24/13/65/557241365.db2.gz IDPMCHMSMLTPQQ-CRAIPNDOSA-N 0 0 448.372 2.090 50 0 IEAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)c(C)c1 ZINC000026544174 557244525 /nfs/dbraw/zinc/24/45/25/557244525.db2.gz KQUUZQDSIKPEKC-UHFFFAOYSA-N 0 0 443.525 2.053 50 0 IEAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)cc2O1 ZINC000604404142 557247027 /nfs/dbraw/zinc/24/70/27/557247027.db2.gz DECBKVDKDDDEKS-HLLBOEOZSA-N 0 0 442.512 2.374 50 0 biogenic IEAARN Cc1cc2nc(N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c3ccccc3n2n1 ZINC000026700183 557247153 /nfs/dbraw/zinc/24/71/53/557247153.db2.gz RDLUJXPGQWAJBB-UHFFFAOYSA-N 0 0 428.562 2.434 50 0 IEAARN Cn1cnc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000604404352 557247184 /nfs/dbraw/zinc/24/71/84/557247184.db2.gz FJUWRWROLLSWKV-OAQYLSRUSA-N 0 0 430.468 2.027 50 0 biogenic IEAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000026746431 557247460 /nfs/dbraw/zinc/24/74/60/557247460.db2.gz BJOGLVDMRMCJJQ-HNNXBMFYSA-N 0 0 442.541 2.455 50 0 IEAARN COc1ccccc1CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000026747531 557247559 /nfs/dbraw/zinc/24/75/59/557247559.db2.gz NFPZZIHAXMILTL-UHFFFAOYSA-N 0 0 427.276 2.267 50 0 IEAARN Cc1ccc(N2C(=O)C[C@@H](N3CCC(NS(=O)(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000100209911 557247832 /nfs/dbraw/zinc/24/78/32/557247832.db2.gz GLNJFVKGPUDAKA-HXUWFJFHSA-N 0 0 427.526 2.070 50 0 IEAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCN1CCOCC1 ZINC000604405133 557248611 /nfs/dbraw/zinc/24/86/11/557248611.db2.gz KSZKNYXUTKEMIY-QHCPKHFHSA-N 0 0 448.523 2.030 50 0 biogenic IEAARN CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3=O)ccc21 ZINC000026832652 557249514 /nfs/dbraw/zinc/24/95/14/557249514.db2.gz WFQCANHENMUHHQ-UHFFFAOYSA-N 0 0 427.526 2.197 50 0 IEAARN CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000026912290 557250881 /nfs/dbraw/zinc/25/08/81/557250881.db2.gz OHKBJXVUIBKIIX-UHFFFAOYSA-N 0 0 430.549 2.416 50 0 IEAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2cccnc2)no1 ZINC000604419366 557251520 /nfs/dbraw/zinc/25/15/20/557251520.db2.gz FJMRWVAFXADYRV-QUZZAMIASA-N 0 0 433.468 2.290 50 0 IEAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000018224708 557252884 /nfs/dbraw/zinc/25/28/84/557252884.db2.gz XGTGBCHEKWLVEE-QGZVFWFLSA-N 0 0 430.482 2.212 50 0 IEAARN O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000018247899 557253978 /nfs/dbraw/zinc/25/39/78/557253978.db2.gz MKBJUZFLGCXNFI-SFHVURJKSA-N 0 0 445.516 2.384 50 0 IEAARN CCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O ZINC000027021391 557255137 /nfs/dbraw/zinc/25/51/37/557255137.db2.gz RGLNTZXJAYOTRE-XSFVSMFZSA-N 0 0 435.505 2.447 50 0 IEAARN O=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000027046805 557255848 /nfs/dbraw/zinc/25/58/48/557255848.db2.gz OXOUDSPYDMDEKK-UHFFFAOYSA-N 0 0 436.397 2.389 50 0 IEAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000027432541 557262211 /nfs/dbraw/zinc/26/22/11/557262211.db2.gz UZEFCBCXFIXJRG-GFCCVEGCSA-N 0 0 433.456 2.240 50 0 IEAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000027538872 557264479 /nfs/dbraw/zinc/26/44/79/557264479.db2.gz FFOCXXRQYFKYBM-JLTOFOAXSA-N 0 0 431.439 2.276 50 0 IEAARN CNC(=O)c1ccc(CN(CC(=O)Nc2sccc2C(N)=O)Cc2ccco2)cc1 ZINC000027574675 557266193 /nfs/dbraw/zinc/26/61/93/557266193.db2.gz OBXWBTBKHLKMJC-UHFFFAOYSA-N 0 0 426.498 2.441 50 0 IEAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1 ZINC000027663099 557269223 /nfs/dbraw/zinc/26/92/23/557269223.db2.gz UMVCRZCBRDBTAN-CQSZACIVSA-N 0 0 448.566 2.480 50 0 IEAARN COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1 ZINC000027663078 557269227 /nfs/dbraw/zinc/26/92/27/557269227.db2.gz LEAOXAXQXUQADP-CYBMUJFWSA-N 0 0 434.539 2.415 50 0 IEAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000027773901 557273553 /nfs/dbraw/zinc/27/35/53/557273553.db2.gz HDPJTYBQQBGAFZ-ZDUSSCGKSA-N 0 0 425.459 2.297 50 0 IEAARN C[C@@H]1c2cc(NC(=O)C(=O)NC[C@](O)(c3ccccc3)C3CC3)cc3c2N(CCC3)C1=O ZINC000101329266 557274036 /nfs/dbraw/zinc/27/40/36/557274036.db2.gz SMNVDSOEOJBOJG-BZQUYTCOSA-N 0 0 433.508 2.435 50 0 IEAARN COCCn1c2cc(C)c(C)cc2s/c1=N\C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000101345284 557279430 /nfs/dbraw/zinc/27/94/30/557279430.db2.gz OHSSKDZGLUDBOP-DNTCVELPSA-N 0 0 425.576 2.065 50 0 IEAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCCc2ccc(O)cc2)C1=O ZINC000101460184 557285114 /nfs/dbraw/zinc/28/51/14/557285114.db2.gz UMPAPHHHPPGNDY-KRWDZBQOSA-N 0 0 446.301 2.037 50 0 IEAARN COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1O ZINC000101465543 557285176 /nfs/dbraw/zinc/28/51/76/557285176.db2.gz NIQRVOMRICNZMP-CYBMUJFWSA-N 0 0 428.832 2.038 50 0 IEAARN COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)cc1 ZINC000011665791 557292262 /nfs/dbraw/zinc/29/22/62/557292262.db2.gz XGQCGGZJFHHJDP-UHFFFAOYSA-N 0 0 429.484 2.490 50 0 IEAARN COc1ccc([C@H](CNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)N(C)C)cc1 ZINC000101702127 557293950 /nfs/dbraw/zinc/29/39/50/557293950.db2.gz YVCHHFGNVJBDMU-QFIPXVFZSA-N 0 0 448.567 2.328 50 0 IEAARN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Br)cc2)cc1 ZINC000101797688 557295687 /nfs/dbraw/zinc/29/56/87/557295687.db2.gz SZILRFRNINFUAK-BZUAXINKSA-N 0 0 431.242 2.370 50 0 IEAARN COc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000014068299 557296030 /nfs/dbraw/zinc/29/60/30/557296030.db2.gz RDUFPYKRIHGSRE-UHFFFAOYSA-N 0 0 448.541 2.290 50 0 IEAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1 ZINC000011666440 557300226 /nfs/dbraw/zinc/30/02/26/557300226.db2.gz NDHFAEGWOHOHIJ-UHFFFAOYSA-N 0 0 433.424 2.324 50 0 IEAARN COc1ccc(-c2noc(COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1OC ZINC000014086252 557300237 /nfs/dbraw/zinc/30/02/37/557300237.db2.gz CBRNDAJLZVUOCU-HUUCEWRRSA-N 0 0 441.440 2.138 50 0 IEAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000014093342 557302281 /nfs/dbraw/zinc/30/22/81/557302281.db2.gz DRBIRAQRLYWXHQ-ZDUSSCGKSA-N 0 0 436.490 2.053 50 0 IEAARN COC(=O)c1ccc(CSc2nnc(NC(=O)[C@H]3CCCN(C(N)=O)C3)s2)cc1 ZINC000014120303 557307832 /nfs/dbraw/zinc/30/78/32/557307832.db2.gz FXNBJUVKQFOJSD-ZDUSSCGKSA-N 0 0 435.531 2.346 50 0 IEAARN CCN(C(=O)[C@@H](C)OC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC)c1ccccc1 ZINC000102077936 557312593 /nfs/dbraw/zinc/31/25/93/557312593.db2.gz PBZNCSMKDKEGQJ-OAHLLOKOSA-N 0 0 444.484 2.085 50 0 IEAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2C)no1 ZINC000102129899 557313410 /nfs/dbraw/zinc/31/34/10/557313410.db2.gz SEXLVNNDFVHQFW-IRXDYDNUSA-N 0 0 439.468 2.458 50 0 IEAARN Cc1ccc([C@@H](CNc2nc(N3CCCC3)nc(N3CCCC3)n2)N2CCOCC2)o1 ZINC000032906053 557317445 /nfs/dbraw/zinc/31/74/45/557317445.db2.gz XYBWGKDMYGNOJX-GOSISDBHSA-N 0 0 427.553 2.459 50 0 IEAARN COC(=O)c1cccc(COC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000014202249 557317569 /nfs/dbraw/zinc/31/75/69/557317569.db2.gz LEQCTBLLUKGZMA-UHFFFAOYSA-N 0 0 449.481 2.046 50 0 IEAARN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccc(Br)o1)C(=O)NCCN1CCOCC1 ZINC000032925709 557318204 /nfs/dbraw/zinc/31/82/04/557318204.db2.gz MWSDDIOKJFYMEE-YMOJXRKHSA-N 0 0 442.354 2.035 50 0 IEAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000032962521 557319524 /nfs/dbraw/zinc/31/95/24/557319524.db2.gz GDDKDYIQKXOTFS-HXUWFJFHSA-N 0 0 430.574 2.432 50 0 IEAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000102384883 557320146 /nfs/dbraw/zinc/32/01/46/557320146.db2.gz IOMLNTLCXGTEDU-OALUTQOASA-N 0 0 445.541 2.141 50 0 IEAARN Cc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000033021700 557321295 /nfs/dbraw/zinc/32/12/95/557321295.db2.gz FYHSUYLMDUQZSH-HNNXBMFYSA-N 0 0 444.513 2.253 50 0 IEAARN Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1nccs1 ZINC000102439849 557322872 /nfs/dbraw/zinc/32/28/72/557322872.db2.gz HMDPTVAYSHGQSZ-GASCZTMLSA-N 0 0 427.482 2.228 50 0 IEAARN CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000014241225 557328741 /nfs/dbraw/zinc/32/87/41/557328741.db2.gz LPEPLZLUDWVKKL-UHFFFAOYSA-N 0 0 446.554 2.301 50 0 IEAARN Cc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)cc1 ZINC000033301878 557331308 /nfs/dbraw/zinc/33/13/08/557331308.db2.gz PAQDJEBPQPVAGW-UHFFFAOYSA-N 0 0 433.534 2.257 50 0 IEAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000033413226 557334745 /nfs/dbraw/zinc/33/47/45/557334745.db2.gz WOVXHQKPSWQJGE-UHFFFAOYSA-N 0 0 438.509 2.328 50 0 IEAARN CCN(CC)C(=O)CN1CCc2c(c(C(=O)NC3CC3)nn2Cc2cccc(OC)c2)C1 ZINC000014535421 557339995 /nfs/dbraw/zinc/33/99/95/557339995.db2.gz SWBKZOVVJRSIFK-UHFFFAOYSA-N 0 0 439.560 2.059 50 0 IEAARN COc1ccc(OCCN(C)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000024972560 557342551 /nfs/dbraw/zinc/34/25/51/557342551.db2.gz JGDSOGJYINIJIW-FQEVSTJZSA-N 0 0 442.512 2.393 50 0 IEAARN CCCCn1c(N)c(N(CCOC)C(=O)CSCc2cccc(C)c2)c(=O)[nH]c1=O ZINC000014624264 557345673 /nfs/dbraw/zinc/34/56/73/557345673.db2.gz VEDMFVBKRQNTCA-UHFFFAOYSA-N 0 0 434.562 2.140 50 0 IEAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000011672584 557346270 /nfs/dbraw/zinc/34/62/70/557346270.db2.gz DBFBHZAMCPHZMZ-UHFFFAOYSA-N 0 0 442.516 2.479 50 0 IEAARN CCOC(=O)C(=O)N1CCN(c2nc3nccc(-c4ccc(C(C)(C)C)cc4)n3n2)CC1 ZINC000023335567 557348237 /nfs/dbraw/zinc/34/82/37/557348237.db2.gz JXHYHQCWSIEPSE-UHFFFAOYSA-N 0 0 436.516 2.301 50 0 IEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000023335344 557350284 /nfs/dbraw/zinc/35/02/84/557350284.db2.gz SLJDCZFRHFNQOA-UHFFFAOYSA-N 0 0 440.479 2.030 50 0 IEAARN COc1ccc(OC)c(N2C(=O)c3ccccc3/C(=C/N[C@H]3CCS(=O)(=O)C3)C2=O)c1 ZINC000102611019 557358953 /nfs/dbraw/zinc/35/89/53/557358953.db2.gz DXGJDVBKZKPALU-HIXWQLQUSA-N 0 0 442.493 2.008 50 0 IEAARN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000050197186 557372688 /nfs/dbraw/zinc/37/26/88/557372688.db2.gz KJPDWMMNIXDJJC-VHUVZOMWSA-N 0 0 428.529 2.322 50 0 biogenic IEAARN CCn1c2nnc(-c3ccc(COc4ccccc4)cc3)n2c2c1c(=O)n(C)c(=O)n2C ZINC000023834304 557376337 /nfs/dbraw/zinc/37/63/37/557376337.db2.gz GYKOIHURZWVQOU-UHFFFAOYSA-N 0 0 430.468 2.347 50 0 IEAARN CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691757 557384780 /nfs/dbraw/zinc/38/47/80/557384780.db2.gz USWKMVUNMKVHGY-KWBADKCTSA-N 0 0 427.242 2.398 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000102806064 557386962 /nfs/dbraw/zinc/38/69/62/557386962.db2.gz RMXJWBXZSWAJFS-HDICACEKSA-N 0 0 447.557 2.305 50 0 IEAARN COc1ccc(-c2nnc(SCc3cc(=O)n4nc[n-]c4n3)n2C[C@H]2CCCO2)cc1 ZINC000102807709 557387150 /nfs/dbraw/zinc/38/71/50/557387150.db2.gz DCTPDWIIWXSRQB-MRXNPFEDSA-N 0 0 439.501 2.156 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000023989889 557390249 /nfs/dbraw/zinc/39/02/49/557390249.db2.gz HZGURDJATUTPLB-HXUWFJFHSA-N 0 0 449.598 2.254 50 0 IEAARN COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)COc3ccccc3F)n2)c1 ZINC000011694462 557392433 /nfs/dbraw/zinc/39/24/33/557392433.db2.gz JJUGRMISRCMGSG-UHFFFAOYSA-N 0 0 427.432 2.262 50 0 IEAARN Cc1ccnc(Nc2ccc(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nn2)c1 ZINC000011696841 557394834 /nfs/dbraw/zinc/39/48/34/557394834.db2.gz JWACWRGERGFIDA-UHFFFAOYSA-N 0 0 442.501 2.085 50 0 IEAARN COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1OC ZINC000011697425 557395045 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0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 ZINC000015884089 568857935 /nfs/dbraw/zinc/85/79/35/568857935.db2.gz KTDAEWCRQVYWIO-UHFFFAOYSA-N 0 0 435.513 2.030 50 0 IEAARN Cc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 ZINC000015884013 568858247 /nfs/dbraw/zinc/85/82/47/568858247.db2.gz MNIYUVOFOVPUKK-UHFFFAOYSA-N 0 0 447.474 2.386 50 0 IEAARN Cc1nc2ccccn2c1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000575414163 568861051 /nfs/dbraw/zinc/86/10/51/568861051.db2.gz ALLYMJSZCZDUFJ-UHFFFAOYSA-N 0 0 425.514 2.449 50 0 IEAARN CN1c2ccccc2N(C2CCN(CC(=O)NCCc3ccccc3)CC2)S1(=O)=O ZINC000575414208 568861076 /nfs/dbraw/zinc/86/10/76/568861076.db2.gz RIVMMVCEHYTEDV-UHFFFAOYSA-N 0 0 428.558 2.011 50 0 IEAARN O=C(Cn1c(=O)cnc2ccccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000012939156 568868049 /nfs/dbraw/zinc/86/80/49/568868049.db2.gz DQPDIUKCXDXMQG-UHFFFAOYSA-N 0 0 426.904 2.273 50 0 IEAARN Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)nn21 ZINC000016044131 568868668 /nfs/dbraw/zinc/86/86/68/568868668.db2.gz WRUPLUJZSQQXJH-OKILXGFUSA-N 0 0 428.518 2.352 50 0 IEAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(OC(F)F)c1 ZINC000012941511 568869901 /nfs/dbraw/zinc/86/99/01/568869901.db2.gz SVBIJHGOUUSAMX-UHFFFAOYSA-N 0 0 432.470 2.300 50 0 IEAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000012945236 568870649 /nfs/dbraw/zinc/87/06/49/568870649.db2.gz PPZJXNQKSIHJNN-AEFFLSMTSA-N 0 0 446.500 2.270 50 0 IEAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000012945832 568870989 /nfs/dbraw/zinc/87/09/89/568870989.db2.gz LNRURRNEZYGLSG-UHFFFAOYSA-N 0 0 446.934 2.124 50 0 IEAARN CC(C)NC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000006302500 568875276 /nfs/dbraw/zinc/87/52/76/568875276.db2.gz NCSUJAIXWPBWLW-UHFFFAOYSA-N 0 0 440.525 2.456 50 0 IEAARN COc1nc(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)nc(N2CCOCC2)n1 ZINC000575605498 568877995 /nfs/dbraw/zinc/87/79/95/568877995.db2.gz BHXOKRXTESMOTE-UHFFFAOYSA-N 0 0 446.467 2.455 50 0 IEAARN CCOc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4ncc(Cl)cn4)C3)C2=O)cc1 ZINC000575611187 568879097 /nfs/dbraw/zinc/87/90/97/568879097.db2.gz BSVFSVFOQUFYBU-GOSISDBHSA-N 0 0 445.907 2.451 50 0 IEAARN COc1ccccc1-c1cc(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)[nH]n1 ZINC000575611599 568879253 /nfs/dbraw/zinc/87/92/53/568879253.db2.gz GNBCEKAYZWTRDL-UHFFFAOYSA-N 0 0 445.476 2.155 50 0 IEAARN CN1c2cc(F)c(NS(=O)(=O)Cc3noc4ccccc43)cc2N(C)S1(=O)=O ZINC000575612532 568879387 /nfs/dbraw/zinc/87/93/87/568879387.db2.gz MXLNCFNRJBVDHK-UHFFFAOYSA-N 0 0 426.451 2.040 50 0 IEAARN O=S(=O)(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000575612482 568879399 /nfs/dbraw/zinc/87/93/99/568879399.db2.gz MSBHGZXEEIMOSX-JOCHJYFZSA-N 0 0 427.526 2.465 50 0 IEAARN Cn1cc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cn2)cn1 ZINC000575617204 568881754 /nfs/dbraw/zinc/88/17/54/568881754.db2.gz UKUZKJFUXUGENL-UHFFFAOYSA-N 0 0 425.514 2.197 50 0 IEAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000009391123 568882151 /nfs/dbraw/zinc/88/21/51/568882151.db2.gz GOBVUFAMIYOOSA-FPYGCLRLSA-N 0 0 430.482 2.131 50 0 IEAARN O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575618280 568882174 /nfs/dbraw/zinc/88/21/74/568882174.db2.gz UVGSITBEIDBPJE-GOSISDBHSA-N 0 0 435.933 2.163 50 0 IEAARN O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000035478424 568882774 /nfs/dbraw/zinc/88/27/74/568882774.db2.gz REFYXOJDVRBTJX-CYBMUJFWSA-N 0 0 442.463 2.168 50 0 IEAARN O=C(NC[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000169302770 568883624 /nfs/dbraw/zinc/88/36/24/568883624.db2.gz IQPIYQHNKCHGCQ-DZGCQCFKSA-N 0 0 431.352 2.145 50 0 IEAARN CCOc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2OC)cc1 ZINC000009569130 568883934 /nfs/dbraw/zinc/88/39/34/568883934.db2.gz YHVWMVKILXLAAF-UHFFFAOYSA-N 0 0 426.516 2.435 50 0 IEAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 ZINC000012965279 568884605 /nfs/dbraw/zinc/88/46/05/568884605.db2.gz 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/nfs/dbraw/zinc/13/30/85/569133085.db2.gz YHPLAFWWUHWCRY-UHFFFAOYSA-N 0 0 427.486 2.320 50 0 IEAARN CC(C)CCNC(=O)Cn1nc2n(c3ccsc3c(=O)n2Cc2cccs2)c1=O ZINC000065305410 569133176 /nfs/dbraw/zinc/13/31/76/569133176.db2.gz QUJRFTQUXNXBQI-UHFFFAOYSA-N 0 0 431.543 2.145 50 0 IEAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)cc1 ZINC000065305508 569133224 /nfs/dbraw/zinc/13/32/24/569133224.db2.gz LVYLTSKOEZPFSA-UHFFFAOYSA-N 0 0 435.465 2.461 50 0 IEAARN COC(=O)c1ccc2c(c1)nc(N1CCC(C(N)=O)CC1)n(-c1ccc(C)c(C)c1)c2=O ZINC000065306603 569133381 /nfs/dbraw/zinc/13/33/81/569133381.db2.gz NRYVXONDTNUFTG-UHFFFAOYSA-N 0 0 434.496 2.491 50 0 IEAARN CCOc1ccccc1CNC(=O)CN1c2ccc(F)cc2C(=O)N2CCC[C@@H]2C1=O ZINC000065306879 569133473 /nfs/dbraw/zinc/13/34/73/569133473.db2.gz JZQGXXXOFUJMMU-LJQANCHMSA-N 0 0 425.460 2.492 50 0 IEAARN COc1ccc(CNC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1 ZINC000065319137 569134627 /nfs/dbraw/zinc/13/46/27/569134627.db2.gz JIIHDABDJLNTHO-UHFFFAOYSA-N 0 0 442.497 2.460 50 0 IEAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NCc4cccnc4)n3)cc2)CC1 ZINC000065319176 569134820 /nfs/dbraw/zinc/13/48/20/569134820.db2.gz HZGWIJLJAYXCLJ-UHFFFAOYSA-N 0 0 441.513 2.482 50 0 IEAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cccnc2)CC3)CC1 ZINC000065313388 569135110 /nfs/dbraw/zinc/13/51/10/569135110.db2.gz KWYXCSBTEPVCMO-QGZVFWFLSA-N 0 0 427.574 2.264 50 0 IEAARN O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)Nc1ccc(-n2cnnn2)cc1 ZINC000036709176 569136239 /nfs/dbraw/zinc/13/62/39/569136239.db2.gz RMCIBNIGRHBLQO-UHFFFAOYSA-N 0 0 449.452 2.281 50 0 IEAARN Cc1sc2ncn(CCC(=O)Nc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c(=O)c2c1C ZINC000036753009 569137570 /nfs/dbraw/zinc/13/75/70/569137570.db2.gz PGTXBCALGMWBQB-NRFANRHFSA-N 0 0 439.497 2.158 50 0 IEAARN O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](Oc2ncccc2Br)C1 ZINC000238959508 569138113 /nfs/dbraw/zinc/13/81/13/569138113.db2.gz YHSUUFQXMDLZBD-ZDUSSCGKSA-N 0 0 429.274 2.234 50 0 IEAARN 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CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(OC)cc2)NC(=S)N1C ZINC000037224382 569141068 /nfs/dbraw/zinc/14/10/68/569141068.db2.gz ZWLBDSMSFMWCMC-KGVIQGDOSA-N 0 0 428.510 2.307 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2nc3ccc(F)cc3n2C)CC1 ZINC000170595057 569141545 /nfs/dbraw/zinc/14/15/45/569141545.db2.gz FUHVALKZZIUGSB-UHFFFAOYSA-N 0 0 449.508 2.034 50 0 IEAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000170594747 569141574 /nfs/dbraw/zinc/14/15/74/569141574.db2.gz LYJFNIBOLVGJFC-KRWDZBQOSA-N 0 0 430.505 2.489 50 0 IEAARN CCn1c2ccc(S(=O)(=O)N3CCCN(C(=O)c4cccc(C)c4)CC3)cc2oc1=O ZINC000170597006 569141892 /nfs/dbraw/zinc/14/18/92/569141892.db2.gz XYIXBAXHODJDIA-UHFFFAOYSA-N 0 0 443.525 2.460 50 0 IEAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3nc(N(C)C)no3)cc2)cc1 ZINC000170599158 569142452 /nfs/dbraw/zinc/14/24/52/569142452.db2.gz BBVTWSCSMYMTFQ-UHFFFAOYSA-N 0 0 429.502 2.199 50 0 IEAARN CC(C)(C)OC(=O)N1C[C@H](OC(=O)C2CCOCC2)C[C@H]1COC(=O)C1CCOCC1 ZINC000170600104 569142761 /nfs/dbraw/zinc/14/27/61/569142761.db2.gz OOYZCHFMLDBPRJ-ZWKOTPCHSA-N 0 0 441.521 2.304 50 0 IEAARN COCCOCCOc1ccc(CN2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000170607367 569144229 /nfs/dbraw/zinc/14/42/29/569144229.db2.gz LQPNRPJEKZMWCV-SZPZYZBQSA-N 0 0 447.620 2.351 50 0 IEAARN CCCCOCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170607574 569144277 /nfs/dbraw/zinc/14/42/77/569144277.db2.gz CXAIRSXELKRDAB-QGZVFWFLSA-N 0 0 432.583 2.218 50 0 IEAARN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cn1 ZINC000170609615 569144694 /nfs/dbraw/zinc/14/46/94/569144694.db2.gz TXCXSTRUQHQKFX-INIZCTEOSA-N 0 0 440.422 2.498 50 0 IEAARN CCn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000170617088 569146854 /nfs/dbraw/zinc/14/68/54/569146854.db2.gz CFEUBRHCMVILOV-SFHVURJKSA-N 0 0 425.514 2.328 50 0 IEAARN CS(=O)(=O)Nc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Br)ccc32)c1 ZINC000170620005 569147476 /nfs/dbraw/zinc/14/74/76/569147476.db2.gz 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COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)sc1C ZINC000170625588 569148519 /nfs/dbraw/zinc/14/85/19/569148519.db2.gz AVKLHVUSIMHUPF-LBPRGKRZSA-N 0 0 436.877 2.341 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1 ZINC000170625640 569148543 /nfs/dbraw/zinc/14/85/43/569148543.db2.gz FJPFCIOVVRNNKT-SFHVURJKSA-N 0 0 435.484 2.464 50 0 IEAARN COc1cccc(N2CCC[C@@H](NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)C2)c1 ZINC000170630078 569148768 /nfs/dbraw/zinc/14/87/68/569148768.db2.gz XUVVUPTZHWMGEQ-MRXNPFEDSA-N 0 0 438.571 2.354 50 0 IEAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000009761667 569149073 /nfs/dbraw/zinc/14/90/73/569149073.db2.gz DVTDJUYRYBYUCG-UHFFFAOYSA-N 0 0 436.392 2.455 50 0 IEAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000009869800 569149352 /nfs/dbraw/zinc/14/93/52/569149352.db2.gz ZYGQXDMDFIQKFB-UHFFFAOYSA-N 0 0 429.498 2.087 50 0 IEAARN COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000009882462 569149642 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C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(N)(=O)=O)c3)cc2)C1 ZINC000013095253 569309392 /nfs/dbraw/zinc/30/93/92/569309392.db2.gz PCKOSOCZKBVKFO-AWEZNQCLSA-N 0 0 437.543 2.007 50 0 IEAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000013114902 569310755 /nfs/dbraw/zinc/31/07/55/569310755.db2.gz WEOFZAAUSNPJGA-CALCHBBNSA-N 0 0 433.530 2.043 50 0 IEAARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000013346338 569312895 /nfs/dbraw/zinc/31/28/95/569312895.db2.gz UVIFEPCKNVOLRN-KRWDZBQOSA-N 0 0 427.526 2.009 50 0 IEAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000013346392 569312930 /nfs/dbraw/zinc/31/29/30/569312930.db2.gz NNFGQDXWTDYAMW-QGZVFWFLSA-N 0 0 433.574 2.055 50 0 IEAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000013346432 569312975 /nfs/dbraw/zinc/31/29/75/569312975.db2.gz MKVIKIOWXJGDIG-UHFFFAOYSA-N 0 0 442.493 2.385 50 0 IEAARN CC(=O)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCc2csc(C)n2)cc1 ZINC000013354688 569313435 /nfs/dbraw/zinc/31/34/35/569313435.db2.gz BFCMWIKLONQOMP-MRXNPFEDSA-N 0 0 425.557 2.034 50 0 IEAARN COc1cc(C(=O)Nc2nnc(-c3nc4ccccc4n(C)c3=O)o2)cc(OC)c1OC ZINC000013359123 569313866 /nfs/dbraw/zinc/31/38/66/569313866.db2.gz RBZABYSWQVTPTK-UHFFFAOYSA-N 0 0 437.412 2.262 50 0 IEAARN COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000013371954 569315115 /nfs/dbraw/zinc/31/51/15/569315115.db2.gz VGMAJFALTGRMQL-HKUYNNGSSA-N 0 0 443.974 2.120 50 0 IEAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cccc3nsnc32)cc1 ZINC000019077560 569316371 /nfs/dbraw/zinc/31/63/71/569316371.db2.gz ZLHQLIYXHGUNOM-YKWSONSWSA-N 0 0 440.481 2.400 50 0 IEAARN Cc1noc(C)c1CNC(=O)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000328590039 569316838 /nfs/dbraw/zinc/31/68/38/569316838.db2.gz APCZRBNBFNZTLI-UHFFFAOYSA-N 0 0 440.422 2.151 50 0 IEAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCC(=O)c1ccc2c(c1)OCCCO2 ZINC000019353119 569318710 /nfs/dbraw/zinc/31/87/10/569318710.db2.gz 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CN1CCc2ccc(S(=O)(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)cc21 ZINC000079056007 569323614 /nfs/dbraw/zinc/32/36/14/569323614.db2.gz VVUUMCBEOBOVGY-UHFFFAOYSA-N 0 0 435.509 2.337 50 0 IEAARN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@H]2CSCCS2)c1 ZINC000079060846 569323909 /nfs/dbraw/zinc/32/39/09/569323909.db2.gz XBNUJBWDFBCSBL-IHVVCDCBSA-N 0 0 433.573 2.017 50 0 IEAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccnc(Br)c1 ZINC000079098507 569325329 /nfs/dbraw/zinc/32/53/29/569325329.db2.gz MVELMJSASJQJSN-UHFFFAOYSA-N 0 0 426.292 2.117 50 0 IEAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCc1c(C)nc3c(c(=O)[nH]n3C)c1C)CC2 ZINC000079101822 569325545 /nfs/dbraw/zinc/32/55/45/569325545.db2.gz BNHIWLOSBSIKAE-LBPRGKRZSA-N 0 0 448.449 2.417 50 0 IEAARN CCCn1cc(NC(=O)C(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)cn1 ZINC000079111202 569326199 /nfs/dbraw/zinc/32/61/99/569326199.db2.gz SOGMCIQHYNOGNZ-OAHLLOKOSA-N 0 0 437.294 2.415 50 0 IEAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCC(N)=O)c(OC)c1 ZINC000079188850 569327908 /nfs/dbraw/zinc/32/79/08/569327908.db2.gz FEQOZWRQPASHRV-RXVVDRJESA-N 0 0 439.420 2.122 50 0 biogenic IEAARN COc1cc2nc(C)n(CC(=O)NCCCc3nc4ccccc4[nH]3)c(=O)c2cc1OC ZINC000079191989 569328128 /nfs/dbraw/zinc/32/81/28/569328128.db2.gz YNYIPMFTUVWMCO-UHFFFAOYSA-N 0 0 435.484 2.347 50 0 biogenic IEAARN CCOC(=O)C1=C(COC(=O)CSCC(=O)Nc2ccc(C)cc2C)NC(=O)N[C@@H]1C ZINC000079199791 569328251 /nfs/dbraw/zinc/32/82/51/569328251.db2.gz YAIASPFRUNTHLK-CQSZACIVSA-N 0 0 449.529 2.037 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)cc1 ZINC000079494995 569331420 /nfs/dbraw/zinc/33/14/20/569331420.db2.gz HORQXMOKTWANJQ-AVRDEDQJSA-N 0 0 436.574 2.250 50 0 IEAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(C)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000020114143 569334911 /nfs/dbraw/zinc/33/49/11/569334911.db2.gz LZODQNVTJSEOJY-PMACEKPBSA-N 0 0 429.542 2.450 50 0 IEAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCN(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153368 569353575 /nfs/dbraw/zinc/35/35/75/569353575.db2.gz 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COc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012622539 523760849 /nfs/dbraw/zinc/76/08/49/523760849.db2.gz MUVOSOSYLFHVRY-UHFFFAOYSA-N 0 0 434.518 2.280 50 0 IEAARN CCn1nnc2cc(C(=O)OCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)ccc21 ZINC000021340816 523763114 /nfs/dbraw/zinc/76/31/14/523763114.db2.gz NYNNIZOSKVQQON-UHFFFAOYSA-N 0 0 442.497 2.203 50 0 IEAARN COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H](COC)C2)(c2ccccc2Cl)C1=O ZINC000012158487 523799843 /nfs/dbraw/zinc/79/98/43/523799843.db2.gz QFSZDJJLOPZHEP-KSFYIVLOSA-N 0 0 436.936 2.258 50 0 IEAARN COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487204 523825789 /nfs/dbraw/zinc/82/57/89/523825789.db2.gz GJHYQGCHSOTVBP-UHFFFAOYSA-N 0 0 431.514 2.175 50 0 IEAARN CN(C(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000018028061 523830126 /nfs/dbraw/zinc/83/01/26/523830126.db2.gz PQORYJRIAPACBI-MRXNPFEDSA-N 0 0 428.466 2.297 50 0 IEAARN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000021233538 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ZINC000012195160 523928721 /nfs/dbraw/zinc/92/87/21/523928721.db2.gz LYBBJQZRKNIWNR-OAHLLOKOSA-N 0 0 425.411 2.150 50 0 IEAARN COc1ccc(CCNC(=O)/C=C\c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000035228684 523952767 /nfs/dbraw/zinc/95/27/67/523952767.db2.gz FSCMVGLQHFOMLF-WDZFZDKYSA-N 0 0 430.526 2.088 50 0 IEAARN COc1ccc(CCNC(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1OC ZINC000041128141 523956093 /nfs/dbraw/zinc/95/60/93/523956093.db2.gz VKWHIQBPJKJEQX-UHFFFAOYSA-N 0 0 440.544 2.277 50 0 IEAARN CCc1ccc(N2C(=O)CN(S(=O)(=O)CC)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528689 523961460 /nfs/dbraw/zinc/96/14/60/523961460.db2.gz OTWIJRGZHSVKAE-HSZRJFAPSA-N 0 0 443.569 2.322 50 0 IEAARN COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)cc1OC ZINC000012237648 523962603 /nfs/dbraw/zinc/96/26/03/523962603.db2.gz QIAXAFZVVWXVDH-UHFFFAOYSA-N 0 0 447.495 2.267 50 0 IEAARN COc1ccc(CCNC(=O)c2sc3[nH]c(CN4CCOCC4)nc(=O)c3c2C)cc1 ZINC000022024825 523972132 /nfs/dbraw/zinc/97/21/32/523972132.db2.gz BNCHJIZKCCMDMI-UHFFFAOYSA-N 0 0 442.541 2.106 50 0 IEAARN COc1ccc(CN2CC3=C(C2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N3)cc1 ZINC000012346600 524022629 /nfs/dbraw/zinc/02/26/29/524022629.db2.gz AYGLAVYPBGRKFF-FQEVSTJZSA-N 0 0 439.468 2.371 50 0 IEAARN CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012377748 524022811 /nfs/dbraw/zinc/02/28/11/524022811.db2.gz WYAMNJUPQNEGOI-LFCBLZOASA-N 0 0 436.504 2.449 50 0 biogenic IEAARN COc1ccc(CN2CCCN(CC(=O)Nc3cc(OC)cc(OC)c3)S2(=O)=O)cc1 ZINC000035428092 524026796 /nfs/dbraw/zinc/02/67/96/524026796.db2.gz PIHZNIVIJVLOCK-UHFFFAOYSA-N 0 0 449.529 2.104 50 0 IEAARN COc1ccc(CN2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2=O)cc1 ZINC000012751306 524031119 /nfs/dbraw/zinc/03/11/19/524031119.db2.gz VUJGOXVBZKSWQJ-UHFFFAOYSA-N 0 0 439.903 2.473 50 0 IEAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2csc(C)n2)c(C)c1C ZINC000012583994 524034304 /nfs/dbraw/zinc/03/43/04/524034304.db2.gz MBEDKUXXCCKOEQ-IBGZPJMESA-N 0 0 430.574 2.426 50 0 IEAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2C3CC4CC(C3)CC2C4)cc1OC ZINC000012093002 524034315 /nfs/dbraw/zinc/03/43/15/524034315.db2.gz PINZQRXVFWVWQE-JHUXHLEVSA-N 0 0 441.572 2.335 50 0 IEAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000012572289 524035092 /nfs/dbraw/zinc/03/50/92/524035092.db2.gz JNZZHXDQQZAJIU-HXUWFJFHSA-N 0 0 429.492 2.192 50 0 IEAARN COc1ccc(CN2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c(OC)c1 ZINC000021039935 524039323 /nfs/dbraw/zinc/03/93/23/524039323.db2.gz DQECILIOGCXDPT-UHFFFAOYSA-N 0 0 447.543 2.169 50 0 IEAARN COc1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 ZINC000021873561 524049017 /nfs/dbraw/zinc/04/90/17/524049017.db2.gz FOCAGAKZIYSZBG-UHFFFAOYSA-N 0 0 430.530 2.081 50 0 IEAARN COc1ccc(CNC(=O)CSc2nnc3c4sc(N(C)C)nc4ncn23)cc1 ZINC000033300869 524053660 /nfs/dbraw/zinc/05/36/60/524053660.db2.gz PUHBHBLIQYQRCM-UHFFFAOYSA-N 0 0 429.531 2.217 50 0 IEAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 ZINC000017161706 524062510 /nfs/dbraw/zinc/06/25/10/524062510.db2.gz ZBRWXWZARNSUKQ-LSDHHAIUSA-N 0 0 446.525 2.268 50 0 IEAARN CCc1cccc(C)c1NC(=O)CSc1nnc(CCc2c(C)[nH]c(=O)[nH]c2=O)o1 ZINC000035597124 524063795 /nfs/dbraw/zinc/06/37/95/524063795.db2.gz QZZHDEOCQTVZJK-UHFFFAOYSA-N 0 0 429.502 2.141 50 0 IEAARN COc1ccc(CNS(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)cc1 ZINC000012004637 524074053 /nfs/dbraw/zinc/07/40/53/524074053.db2.gz DLYYABIKUUFSLF-UHFFFAOYSA-N 0 0 440.543 2.112 50 0 IEAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c2ccccc2O1 ZINC000012752998 524084894 /nfs/dbraw/zinc/08/48/94/524084894.db2.gz ARMVKQWNOKPMKX-FQEVSTJZSA-N 0 0 432.480 2.277 50 0 IEAARN CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(F)c(F)c(OC)c(F)c1F ZINC000012816850 524089655 /nfs/dbraw/zinc/08/96/55/524089655.db2.gz KHHJBJVLJKKBAD-NSHDSACASA-N 0 0 432.395 2.113 50 0 IEAARN Cc1ccc(C)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000020994369 524103994 /nfs/dbraw/zinc/10/39/94/524103994.db2.gz LGTNWCUXVZTIHK-MRXNPFEDSA-N 0 0 443.525 2.455 50 0 IEAARN Cc1cccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000036023383 524143923 /nfs/dbraw/zinc/14/39/23/524143923.db2.gz LAWJAOKEUUJLHZ-UHFFFAOYSA-N 0 0 429.590 2.332 50 0 IEAARN C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O ZINC000252444257 524162505 /nfs/dbraw/zinc/16/25/05/524162505.db2.gz CVRPJUCPOVOOCD-IIAWOOMASA-N 0 0 426.473 2.120 50 0 IEAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)n(N)c2=O)cc1 ZINC000012347952 524168886 /nfs/dbraw/zinc/16/88/86/524168886.db2.gz JFOZYQVAQYYKNH-UHFFFAOYSA-N 0 0 425.514 2.299 50 0 IEAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 ZINC000035877348 524188337 /nfs/dbraw/zinc/18/83/37/524188337.db2.gz KGJXMWPXXOROQJ-UHFFFAOYSA-N 0 0 432.571 2.058 50 0 IEAARN COc1ccc(Cl)cc1C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023134512 524195072 /nfs/dbraw/zinc/19/50/72/524195072.db2.gz KPCVSZYNJOXPMR-UHFFFAOYSA-N 0 0 430.871 2.421 50 0 IEAARN Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC2(c3ccccc3)CC2)c1 ZINC000022976553 524204768 /nfs/dbraw/zinc/20/47/68/524204768.db2.gz GONOCMSYKYGDRM-FQEVSTJZSA-N 0 0 428.554 2.376 50 0 IEAARN C[C@@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C ZINC000035964678 524215344 /nfs/dbraw/zinc/21/53/44/524215344.db2.gz ANRKQOFWVJAHJP-DJJJIMSYSA-N 0 0 439.903 2.232 50 0 IEAARN COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000015678637 524223920 /nfs/dbraw/zinc/22/39/20/524223920.db2.gz KRYMDDXNQZHZLW-UHFFFAOYSA-N 0 0 435.889 2.449 50 0 IEAARN COc1ccccc1-c1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000023818543 524288910 /nfs/dbraw/zinc/28/89/10/524288910.db2.gz VPEJZTWABIZFCF-UHFFFAOYSA-N 0 0 431.474 2.123 50 0 IEAARN COc1ccccc1-c1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)n1N ZINC000012856773 524291581 /nfs/dbraw/zinc/29/15/81/524291581.db2.gz KGZHFROKFQZODS-UHFFFAOYSA-N 0 0 440.485 2.214 50 0 IEAARN COc1ccc(F)cc1CN1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000022784954 524309904 /nfs/dbraw/zinc/30/99/04/524309904.db2.gz KYKXPTUSOYUFEV-UHFFFAOYSA-N 0 0 426.536 2.301 50 0 IEAARN Cc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000021531836 524325635 /nfs/dbraw/zinc/32/56/35/524325635.db2.gz XJTHKELSTUCWCG-UHFFFAOYSA-N 0 0 447.582 2.409 50 0 IEAARN C[C@@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC(=O)c1ccccc1 ZINC000012799827 524355481 /nfs/dbraw/zinc/35/54/81/524355481.db2.gz AOFQXYPVCZBQTB-KRWDZBQOSA-N 0 0 426.492 2.117 50 0 IEAARN COc1ccc(N([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000012380681 524370685 /nfs/dbraw/zinc/37/06/85/524370685.db2.gz DQXLJOGQXKKONX-HNNXBMFYSA-N 0 0 436.530 2.226 50 0 IEAARN COc1ccccc1CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000020723732 524392219 /nfs/dbraw/zinc/39/22/19/524392219.db2.gz XWEKIRDUICVCKL-HXUWFJFHSA-N 0 0 435.524 2.352 50 0 IEAARN Cc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000021112382 524414698 /nfs/dbraw/zinc/41/46/98/524414698.db2.gz AZTWOXSULNLASN-UHFFFAOYSA-N 0 0 441.553 2.279 50 0 IEAARN COc1ccccc1CCNC(=O)c1ccc(Cn2c(=O)c(=O)[nH]c3cccnc32)cc1 ZINC000021881826 524419703 /nfs/dbraw/zinc/41/97/03/524419703.db2.gz PRPQPUCWWZEZDU-UHFFFAOYSA-N 0 0 430.464 2.114 50 0 biogenic IEAARN Cc1cccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1 ZINC000021874808 524425439 /nfs/dbraw/zinc/42/54/39/524425439.db2.gz BZWWVQPLTCOFQU-DEOSSOPVSA-N 0 0 437.544 2.415 50 0 IEAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 ZINC000012882422 524447088 /nfs/dbraw/zinc/44/70/88/524447088.db2.gz BMYAILLNUOZRDB-FUHWJXTLSA-N 0 0 448.523 2.393 50 0 biogenic IEAARN COc1ccc(N2C[C@H](NC(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1OC ZINC000022664650 524449397 /nfs/dbraw/zinc/44/93/97/524449397.db2.gz OSFDSKYNKZOXAS-LJQANCHMSA-N 0 0 438.528 2.337 50 0 IEAARN COc1ccccc1CNC(=O)CN1CCSc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000021094201 524463621 /nfs/dbraw/zinc/46/36/21/524463621.db2.gz KKFJSGRANXGHQU-UHFFFAOYSA-N 0 0 435.571 2.174 50 0 IEAARN COc1ccccc1CNC(=O)CSc1ncc(C(=O)Nc2ccccc2)c(=O)n1C ZINC000012236805 524465951 /nfs/dbraw/zinc/46/59/51/524465951.db2.gz TZILDIOIXPISBJ-UHFFFAOYSA-N 0 0 438.509 2.450 50 0 IEAARN C[C@H]1CN(C(=O)Cn2cc(SCC(=O)N3CCOCC3)c3ccccc32)C[C@H](C)O1 ZINC000017246533 524488310 /nfs/dbraw/zinc/48/83/10/524488310.db2.gz VAHGPOGWYHFQJK-IRXDYDNUSA-N 0 0 431.558 2.228 50 0 IEAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000020486939 524491164 /nfs/dbraw/zinc/49/11/64/524491164.db2.gz PCAYWHDUUYEIKT-UHFFFAOYSA-N 0 0 431.514 2.208 50 0 IEAARN COc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(F)cc3)S2(=O)=O)c(OC)c1 ZINC000035534676 524491272 /nfs/dbraw/zinc/49/12/72/524491272.db2.gz GHXMUZDMSCJFHC-UHFFFAOYSA-N 0 0 434.445 2.385 50 0 IEAARN COc1ccc(NC(=O)CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)c(OC)c1 ZINC000021629477 524492268 /nfs/dbraw/zinc/49/22/68/524492268.db2.gz SAFSYOMJYXXTPW-UHFFFAOYSA-N 0 0 437.493 2.234 50 0 IEAARN Cc1cccc(N(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)Cc2ccccc2)c1 ZINC000012780133 524522433 /nfs/dbraw/zinc/52/24/33/524522433.db2.gz VXHCCSUDLFQKSB-HSZRJFAPSA-N 0 0 441.597 2.333 50 0 IEAARN Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000035449169 524542667 /nfs/dbraw/zinc/54/26/67/524542667.db2.gz JHDYKJSHPXXQJX-SFHVURJKSA-N 0 0 443.525 2.104 50 0 IEAARN COc1ccc(NC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(OC)c1 ZINC000012651897 524547318 /nfs/dbraw/zinc/54/73/18/524547318.db2.gz IYCXGOJFDISFCK-HXUWFJFHSA-N 0 0 427.457 2.220 50 0 IEAARN COc1ccccc1N1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 ZINC000058158130 524553900 /nfs/dbraw/zinc/55/39/00/524553900.db2.gz DDRFXGZKHPGUQZ-UHFFFAOYSA-N 0 0 435.532 2.357 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1 ZINC000021876078 524557812 /nfs/dbraw/zinc/55/78/12/524557812.db2.gz TVYIQFAPAFRJBU-RUZDIDTESA-N 0 0 445.523 2.282 50 0 IEAARN Cc1cc(C)n2nc(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC000012542744 524570460 /nfs/dbraw/zinc/57/04/60/524570460.db2.gz SLJQSWVEJNXDGH-KRWDZBQOSA-N 0 0 445.570 2.049 50 0 IEAARN COc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000020529608 524589507 /nfs/dbraw/zinc/58/95/07/524589507.db2.gz MLPUHNQQYSYBOX-AWEZNQCLSA-N 0 0 431.514 2.300 50 0 IEAARN Cc1cccc(NC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000017123223 524601967 /nfs/dbraw/zinc/60/19/67/524601967.db2.gz ZAFGCOASADVBFK-UHFFFAOYSA-N 0 0 437.481 2.326 50 0 IEAARN COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1NS(C)(=O)=O ZINC000012553335 524642996 /nfs/dbraw/zinc/64/29/96/524642996.db2.gz UBNDQCLSOCRJHI-SFHVURJKSA-N 0 0 433.486 2.437 50 0 IEAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000242339019 524643157 /nfs/dbraw/zinc/64/31/57/524643157.db2.gz ZEFTUIRMYKYBTQ-BSIFCXSSSA-N 0 0 432.542 2.386 50 0 IEAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C[C@H](C)O1 ZINC000021009759 524658914 /nfs/dbraw/zinc/65/89/14/524658914.db2.gz MNHUHZCMTNEZGT-GJZGRUSLSA-N 0 0 429.498 2.083 50 0 IEAARN COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 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Cc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000012127949 525610197 /nfs/dbraw/zinc/61/01/97/525610197.db2.gz BCLLCGGJBXIFAR-UHFFFAOYSA-N 0 0 430.512 2.479 50 0 IEAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000012662013 525611735 /nfs/dbraw/zinc/61/17/35/525611735.db2.gz YUSWJBZWFPEJFF-ZSEKCTLFSA-N 0 0 440.408 2.231 50 0 biogenic IEAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCCC1=CCCCC1)O[C@@H](C)C(=O)N2 ZINC000035452406 525611543 /nfs/dbraw/zinc/61/15/43/525611543.db2.gz IATACIICTIMSCJ-HNNXBMFYSA-N 0 0 435.546 2.342 50 0 IEAARN COc1ccc2nc(SCC(=O)Nc3csc4nc(=O)c(C)nn34)nc(C)c2c1 ZINC000012388872 525678488 /nfs/dbraw/zinc/67/84/88/525678488.db2.gz KXWXQTXFEUXUGG-UHFFFAOYSA-N 0 0 428.499 2.450 50 0 IEAARN C[C@H](O)CNC(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1 ZINC000012135711 525777519 /nfs/dbraw/zinc/77/75/19/525777519.db2.gz MICDVPNOZOWYPQ-HNNXBMFYSA-N 0 0 439.487 2.335 50 0 IEAARN C[C@@H](O)CN(C[C@@H](C)O)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 ZINC000020358176 525788022 /nfs/dbraw/zinc/78/80/22/525788022.db2.gz FHJBPUKUIGLFMP-ZIAGYGMSSA-N 0 0 443.573 2.133 50 0 IEAARN COc1cccc(C(=O)N2CCC(N3CCN(Cc4cccc(F)c4)C(=O)C3=O)CC2)c1 ZINC000035376409 525793853 /nfs/dbraw/zinc/79/38/53/525793853.db2.gz WSUGHALAKOQPHS-UHFFFAOYSA-N 0 0 439.487 2.310 50 0 IEAARN C[C@@]1(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)NC(=O)NC1=O ZINC000012759760 525856820 /nfs/dbraw/zinc/85/68/20/525856820.db2.gz QLENVDMFFLURIE-NRFANRHFSA-N 0 0 444.582 2.396 50 0 IEAARN C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C(N)=O ZINC000021601866 525882355 /nfs/dbraw/zinc/88/23/55/525882355.db2.gz NTGLQYJZNBTOGN-OWFXSXJRSA-N 0 0 433.530 2.050 50 0 IEAARN C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012425211 525885315 /nfs/dbraw/zinc/88/53/15/525885315.db2.gz OUBXGAXPRLSTQY-SGTLLEGYSA-N 0 0 428.466 2.466 50 0 IEAARN C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)NC1CC1 ZINC000012557004 525890566 /nfs/dbraw/zinc/89/05/66/525890566.db2.gz DDOCFKOZAGRODW-ZDUSSCGKSA-N 0 0 446.481 2.083 50 0 IEAARN COc1cccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1 ZINC000012521937 525912613 /nfs/dbraw/zinc/91/26/13/525912613.db2.gz NFFFOFVJHJBZML-UHFFFAOYSA-N 0 0 434.562 2.082 50 0 IEAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccc(C(N)=O)cc2)nc3C)cc1C ZINC000012228842 525934142 /nfs/dbraw/zinc/93/41/42/525934142.db2.gz NYVZAJLZUCYDNY-UHFFFAOYSA-N 0 0 430.468 2.245 50 0 IEAARN COc1cccc(CN2CCCN(CC(=O)Nc3ccc(F)c(F)c3)S2(=O)=O)c1 ZINC000035447246 525934512 /nfs/dbraw/zinc/93/45/12/525934512.db2.gz PMAFJILZEARJRM-UHFFFAOYSA-N 0 0 425.457 2.365 50 0 IEAARN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccc(SC)c2)c1OC ZINC000012595536 525947331 /nfs/dbraw/zinc/94/73/31/525947331.db2.gz FXKKCQMHVBELNK-LJQANCHMSA-N 0 0 443.569 2.433 50 0 IEAARN Cc1cn2nnc(C(=O)N3CCC(C(=O)NCc4ccc(C(C)C)cc4)CC3)c2c(=O)[nH]1 ZINC000263615335 525955422 /nfs/dbraw/zinc/95/54/22/525955422.db2.gz BVAFXAVDOQTBTA-UHFFFAOYSA-N 0 0 436.516 2.430 50 0 IEAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CSc3nncn3C)C2)c1 ZINC000012206331 525967778 /nfs/dbraw/zinc/96/77/78/525967778.db2.gz CVHUHMYEFPFBPC-MRXNPFEDSA-N 0 0 431.562 2.251 50 0 IEAARN COc1cccc(CNC(=O)CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)c1 ZINC000012415148 525970361 /nfs/dbraw/zinc/97/03/61/525970361.db2.gz YFVJJXMAYAXPBS-UHFFFAOYSA-N 0 0 441.912 2.167 50 0 IEAARN Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cn1 ZINC000012527821 525975405 /nfs/dbraw/zinc/97/54/05/525975405.db2.gz LCTJQSVAJFSLKJ-UHFFFAOYSA-N 0 0 433.534 2.126 50 0 IEAARN Cc1c2ccccc2oc1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012746015 525977213 /nfs/dbraw/zinc/97/72/13/525977213.db2.gz NJSLLYVGXMDDQL-QFIPXVFZSA-N 0 0 430.424 2.367 50 0 IEAARN C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC[C@@H]1CCCO1 ZINC000012554116 526014173 /nfs/dbraw/zinc/01/41/73/526014173.db2.gz AKQVKENAUNRLCD-YOEHRIQHSA-N 0 0 435.525 2.019 50 0 IEAARN C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC[C@H]1CCCO1 ZINC000012554120 526014911 /nfs/dbraw/zinc/01/49/11/526014911.db2.gz AKQVKENAUNRLCD-WMLDXEAASA-N 0 0 435.525 2.019 50 0 IEAARN C[C@H](C(=O)NCCC(=O)NCCc1c[nH]c2ccccc12)n1cnc2ccccc2c1=O ZINC000012296567 526041357 /nfs/dbraw/zinc/04/13/57/526041357.db2.gz HHXHPOLEBHJKFX-MRXNPFEDSA-N 0 0 431.496 2.304 50 0 biogenic IEAARN COc1cccc(Cn2nccc2NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1OC ZINC000015204310 526112802 /nfs/dbraw/zinc/11/28/02/526112802.db2.gz RCTRWPCNTYNHRL-IAGOWNOFSA-N 0 0 440.500 2.452 50 0 IEAARN Cc1cc(=O)c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccccc1 ZINC000023562078 526129099 /nfs/dbraw/zinc/12/90/99/526129099.db2.gz NDUPRUQYQJRJTM-NRFANRHFSA-N 0 0 436.487 2.483 50 0 IEAARN Cc1ccc2c(CN3CCN(C(=O)CN4c5ccccc5OCC4=O)CC3)cc(=O)oc2c1 ZINC000020869433 526129092 /nfs/dbraw/zinc/12/90/92/526129092.db2.gz KGPJYOASKHDDKO-UHFFFAOYSA-N 0 0 447.491 2.171 50 0 IEAARN Cc1ccc2c(c1)CCCN2C(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O ZINC000021598246 526144277 /nfs/dbraw/zinc/14/42/77/526144277.db2.gz WCDMICDILUOAHW-HXUWFJFHSA-N 0 0 440.521 2.374 50 0 IEAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000022798914 526162105 /nfs/dbraw/zinc/16/21/05/526162105.db2.gz IBFHOUHZTKDFCB-HXUWFJFHSA-N 0 0 436.556 2.157 50 0 IEAARN COc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)c1 ZINC000012822347 526162327 /nfs/dbraw/zinc/16/23/27/526162327.db2.gz XTROAMSVHYLTOF-MRXNPFEDSA-N 0 0 443.525 2.471 50 0 IEAARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCN(CCOc2ccccc2)CC1 ZINC000022789331 526174906 /nfs/dbraw/zinc/17/49/06/526174906.db2.gz JLANJRUQYKPLIV-MRXNPFEDSA-N 0 0 442.585 2.359 50 0 IEAARN COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000020994178 526200371 /nfs/dbraw/zinc/20/03/71/526200371.db2.gz SITIMJVMFGJTJC-ZDUSSCGKSA-N 0 0 431.470 2.169 50 0 IEAARN Cc1cc(C(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccccc1 ZINC000022785300 526207956 /nfs/dbraw/zinc/20/79/56/526207956.db2.gz BXMHQHUPADPOEK-NRFANRHFSA-N 0 0 429.586 2.141 50 0 IEAARN CSc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(N)c1S(=O)(=O)c1ccccc1 ZINC000020597834 526225635 /nfs/dbraw/zinc/22/56/35/526225635.db2.gz APIOYBZMOLAOJF-UHFFFAOYSA-N 0 0 446.510 2.387 50 0 IEAARN Cc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)nc(C)n1 ZINC000020997553 526246137 /nfs/dbraw/zinc/24/61/37/526246137.db2.gz QJSYJYZILRBQEJ-HXUWFJFHSA-N 0 0 437.544 2.245 50 0 IEAARN Cc1ccc2nc(COC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)cc(=O)n2c1 ZINC000023623970 526249896 /nfs/dbraw/zinc/24/98/96/526249896.db2.gz GYCBXVRWEDZTNJ-IQMFZBJNSA-N 0 0 440.500 2.183 50 0 IEAARN Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)c2ccccc12 ZINC000012761653 526268906 /nfs/dbraw/zinc/26/89/06/526268906.db2.gz MHBSXLYFZJBZST-UHFFFAOYSA-N 0 0 426.498 2.128 50 0 IEAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC000022668342 526288850 /nfs/dbraw/zinc/28/88/50/526288850.db2.gz KAIDVWBDAYAGSA-UHFFFAOYSA-N 0 0 432.908 2.082 50 0 IEAARN O=C(NCCN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O)c1ccc2n[nH]nc2c1 ZINC000012548030 526301035 /nfs/dbraw/zinc/30/10/35/526301035.db2.gz XCXNIJKBOCOJKA-IUXPMGMMSA-N 0 0 437.437 2.153 50 0 IEAARN Cc1nn2c(nc(CSc3nc(-c4ccccc4F)nc4cc(=O)[nH]n43)cc2=O)s1 ZINC000021537226 526312687 /nfs/dbraw/zinc/31/26/87/526312687.db2.gz LBIWMGLAYCFXPM-UHFFFAOYSA-N 0 0 441.473 2.289 50 0 IEAARN Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)CN3CCOC3=O)c2)s1 ZINC000012472017 526317156 /nfs/dbraw/zinc/31/71/56/526317156.db2.gz OTMDWMLDIPWDOG-INIZCTEOSA-N 0 0 429.502 2.285 50 0 IEAARN O=c1[nH]c(Cc2ccc(F)cc2)nc2c1nnn2Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000020443899 526377903 /nfs/dbraw/zinc/37/79/03/526377903.db2.gz ZFKFINKMBKAKHE-UHFFFAOYSA-N 0 0 437.826 2.470 50 0 IEAARN O=C(CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21)N1CCCC1 ZINC000035398888 526382282 /nfs/dbraw/zinc/38/22/82/526382282.db2.gz PBEMPMVCNFQFSM-UHFFFAOYSA-N 0 0 431.514 2.050 50 0 IEAARN O=C(CCC1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012111989 526408857 /nfs/dbraw/zinc/40/88/57/526408857.db2.gz NXMTYTLMMRKOBG-QGZVFWFLSA-N 0 0 441.528 2.426 50 0 IEAARN O=C(NCCc1ccccc1)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000035451593 526422619 /nfs/dbraw/zinc/42/26/19/526422619.db2.gz JNPYUCRIUSYMKU-UHFFFAOYSA-N 0 0 434.540 2.274 50 0 IEAARN O=C(NCCc1ccco1)[C@@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1 ZINC000021664071 526441149 /nfs/dbraw/zinc/44/11/49/526441149.db2.gz CQYYPZVVGGKRCD-CQSZACIVSA-N 0 0 427.530 2.198 50 0 IEAARN O=C([C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)N1CCCC1 ZINC000012934551 526454706 /nfs/dbraw/zinc/45/47/06/526454706.db2.gz HCJRKCYJIZILTR-DHIUTWEWSA-N 0 0 435.524 2.334 50 0 IEAARN Cc1noc(C)c1-n1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)ccc1=O ZINC000012372270 526466151 /nfs/dbraw/zinc/46/61/51/526466151.db2.gz UDYHLWIJQNCEJJ-UHFFFAOYSA-N 0 0 443.510 2.439 50 0 IEAARN O=C([C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)N1CCN(c2ccccc2F)CC1 ZINC000020901475 526472153 /nfs/dbraw/zinc/47/21/53/526472153.db2.gz CTXRTDHWQPXRNR-KRWDZBQOSA-N 0 0 444.536 2.122 50 0 IEAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012599691 526480540 /nfs/dbraw/zinc/48/05/40/526480540.db2.gz NVCNNCMUJUPELG-SFTDATJTSA-N 0 0 438.524 2.352 50 0 IEAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000023560763 526490508 /nfs/dbraw/zinc/49/05/08/526490508.db2.gz YYNJYGPCPLDAQS-UNMCSNQZSA-N 0 0 425.504 2.364 50 0 IEAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCCc1ccccc1 ZINC000021112108 526512190 /nfs/dbraw/zinc/51/21/90/526512190.db2.gz CJTOFGGTNYOHGM-UHFFFAOYSA-N 0 0 441.553 2.013 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000012785363 526551826 /nfs/dbraw/zinc/55/18/26/526551826.db2.gz OGCHAZUIEIDZKN-UHFFFAOYSA-N 0 0 428.308 2.201 50 0 IEAARN O=C(NC[C@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035485243 526599265 /nfs/dbraw/zinc/59/92/65/526599265.db2.gz MOTHUJKQNSAOTL-QDSKXPNFSA-N 0 0 446.551 2.205 50 0 biogenic IEAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012636959 526636254 /nfs/dbraw/zinc/63/62/54/526636254.db2.gz SSCQEFISJDWRHE-UHFFFAOYSA-N 0 0 445.472 2.432 50 0 IEAARN O=C(CCc1nnc2ccc(NCCCN3CCCC3=O)nn21)Nc1ccc(F)cc1F ZINC000015776736 526665256 /nfs/dbraw/zinc/66/52/56/526665256.db2.gz DCXXYVRQABSOLO-UHFFFAOYSA-N 0 0 443.458 2.398 50 0 IEAARN O=C(CN(C[C@H]1CCCO1)C(=O)C1CC1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061797 526697559 /nfs/dbraw/zinc/69/75/59/526697559.db2.gz AWBKGIDJFWTINZ-OAQYLSRUSA-N 0 0 449.555 2.210 50 0 IEAARN O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012557374 526710237 /nfs/dbraw/zinc/71/02/37/526710237.db2.gz JVSVXYXRUXXBMM-HXUWFJFHSA-N 0 0 447.532 2.245 50 0 IEAARN O=C(c1ccc(S(=O)(=O)NC2CC2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000040088777 526710989 /nfs/dbraw/zinc/71/09/89/526710989.db2.gz DFAQDSJPPZRMMR-UHFFFAOYSA-N 0 0 444.435 2.097 50 0 IEAARN O=C(c1ccc(S(=O)(=O)NCc2cccnc2)o1)N1CCN(c2ccccc2F)CC1 ZINC000035597420 526711831 /nfs/dbraw/zinc/71/18/31/526711831.db2.gz 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50 0 IEAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCNC(=O)C1CC1 ZINC000334158209 568750935 /nfs/dbraw/zinc/75/09/35/568750935.db2.gz YFKWJMHAMHETPQ-UHFFFAOYSA-N 0 0 435.509 2.308 50 0 IEAARN COc1cccc(OC[C@H](O)CNC(=O)CC[C@]2(Cc3ccccc3)CCC(=O)N2)c1 ZINC000299758407 568755512 /nfs/dbraw/zinc/75/55/12/568755512.db2.gz PIRMBNWYJNGKFC-NTKDMRAZSA-N 0 0 426.513 2.223 50 0 IEAARN COCC[C@@H]1CCCCN1C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O ZINC000299761464 568755933 /nfs/dbraw/zinc/75/59/33/568755933.db2.gz LWIKUTVVUKURSP-YADARESESA-N 0 0 446.544 2.146 50 0 IEAARN COc1ccc(Cc2[nH][nH]c(=O)c2[C@@H](CC(N)=O)c2cc(OC)c(OC)cc2OC)cc1 ZINC000263588893 568761241 /nfs/dbraw/zinc/76/12/41/568761241.db2.gz ZOKVOABTENDPMN-INIZCTEOSA-N 0 0 441.484 2.336 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000015391551 568761698 /nfs/dbraw/zinc/76/16/98/568761698.db2.gz QFALGHDPEOTVKI-KRWDZBQOSA-N 0 0 433.505 2.392 50 0 IEAARN COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000263616631 568776805 /nfs/dbraw/zinc/77/68/05/568776805.db2.gz JVOAWFYBIQOOJR-UHFFFAOYSA-N 0 0 436.443 2.119 50 0 IEAARN Cc1ccccc1NC(=O)CN1CCn2nnc(-c3nc(-c4ccsc4)no3)c2C1=O ZINC000263616961 568777427 /nfs/dbraw/zinc/77/74/27/568777427.db2.gz LJYACSUPAKJXQO-UHFFFAOYSA-N 0 0 435.469 2.460 50 0 IEAARN O=C(COc1ccccc1)N1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263618996 568777802 /nfs/dbraw/zinc/77/78/02/568777802.db2.gz WKRJDOJKHHWCMJ-QHCPKHFHSA-N 0 0 433.512 2.273 50 0 IEAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC ZINC000032123785 568781732 /nfs/dbraw/zinc/78/17/32/568781732.db2.gz YCGASKNDNDLWJH-QFBILLFUSA-N 0 0 448.545 2.379 50 0 biogenic IEAARN COC(=O)c1cccc(N2CC(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C2=O)c1 ZINC000083897364 568785004 /nfs/dbraw/zinc/78/50/04/568785004.db2.gz UBXYYYFAHQYHTC-UHFFFAOYSA-N 0 0 433.367 2.482 50 0 IEAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)c1 ZINC000223239375 568786420 /nfs/dbraw/zinc/78/64/20/568786420.db2.gz ADYAGIDIXQUJCE-NRFANRHFSA-N 0 0 449.504 2.413 50 0 IEAARN CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000083984475 568787896 /nfs/dbraw/zinc/78/78/96/568787896.db2.gz GUDFNBMAUPVXKK-LLVKDONJSA-N 0 0 434.786 2.211 50 0 IEAARN CC(C)(CNC(=O)CCCNC(=O)c1ccc2n[nH]nc2c1)c1ccc2c(c1)OCCO2 ZINC000084326030 568796942 /nfs/dbraw/zinc/79/69/42/568796942.db2.gz NZACHHXALBBYGV-UHFFFAOYSA-N 0 0 437.500 2.333 50 0 IEAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(C(=O)C(C)C)C3)c2)cc1 ZINC000084370505 568797510 /nfs/dbraw/zinc/79/75/10/568797510.db2.gz GWMLXHIDAKTKDP-GOSISDBHSA-N 0 0 445.541 2.483 50 0 IEAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(C(=O)C(C)C)C3)c2)cc1 ZINC000084370503 568797553 /nfs/dbraw/zinc/79/75/53/568797553.db2.gz GWMLXHIDAKTKDP-SFHVURJKSA-N 0 0 445.541 2.483 50 0 IEAARN O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000084535712 568798610 /nfs/dbraw/zinc/79/86/10/568798610.db2.gz BIAITOZDKMYQCD-RTWAWAEBSA-N 0 0 426.538 2.251 50 0 IEAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 ZINC000015587231 568799028 /nfs/dbraw/zinc/79/90/28/568799028.db2.gz UYKOGQROAFEDQX-UHFFFAOYSA-N 0 0 444.966 2.357 50 0 IEAARN O=C(NCCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(F)(F)F ZINC000084606024 568799249 /nfs/dbraw/zinc/79/92/49/568799249.db2.gz XIFNUKUICWJIBN-UHFFFAOYSA-N 0 0 429.464 2.215 50 0 IEAARN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000084637102 568799326 /nfs/dbraw/zinc/79/93/26/568799326.db2.gz ZEFTUIRMYKYBTQ-LKUPVBHCSA-N 0 0 432.542 2.386 50 0 IEAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C)c2nnc(N3CCCC3=O)s2)CC1 ZINC000015672417 568803383 /nfs/dbraw/zinc/80/33/83/568803383.db2.gz OCKAYMKWDZWBQZ-UHFFFAOYSA-N 0 0 448.980 2.412 50 0 IEAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(Cl)c1 ZINC000015680234 568805918 /nfs/dbraw/zinc/80/59/18/568805918.db2.gz BOFHTHBIBARNPR-FQEVSTJZSA-N 0 0 435.933 2.023 50 0 IEAARN Cc1cc(Cl)ccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000015680239 568806001 /nfs/dbraw/zinc/80/60/01/568806001.db2.gz DTMMAGHCFMTTOW-OAQYLSRUSA-N 0 0 449.960 2.332 50 0 IEAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015680275 568806111 /nfs/dbraw/zinc/80/61/11/568806111.db2.gz YFARAKZBOUJBIU-NRFANRHFSA-N 0 0 449.960 2.332 50 0 IEAARN O=C(c1cc(C2CC2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000015680616 568806264 /nfs/dbraw/zinc/80/62/64/568806264.db2.gz JHUPARFESJHUBW-UHFFFAOYSA-N 0 0 439.335 2.196 50 0 IEAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)CC1 ZINC000015734500 568816522 /nfs/dbraw/zinc/81/65/22/568816522.db2.gz OIGXHMJYFVTPAP-UHFFFAOYSA-N 0 0 426.560 2.499 50 0 IEAARN COc1ccc(-n2ccn3c(CCC(=O)Nc4ccc(OC)c(OC)c4)nnc3c2=O)cc1 ZINC000015736391 568817197 /nfs/dbraw/zinc/81/71/97/568817197.db2.gz CSZXZRLNUIFSCT-UHFFFAOYSA-N 0 0 449.467 2.477 50 0 IEAARN COc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CCc1ccccc1 ZINC000006073680 568820798 /nfs/dbraw/zinc/82/07/98/568820798.db2.gz NYAWLJPMLFPPNI-JOCHJYFZSA-N 0 0 438.509 2.440 50 0 IEAARN Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000015768570 568822111 /nfs/dbraw/zinc/82/21/11/568822111.db2.gz JKJZCCCLFPHPKO-YXBWYFRISA-N 0 0 445.541 2.413 50 0 IEAARN CCOCCn1c(=O)c2c(nc3n2cc(C)n3-c2cc(Cl)ccc2OC)n(C)c1=O ZINC000006089659 568823240 /nfs/dbraw/zinc/82/32/40/568823240.db2.gz XEHLFLLTHOEKAT-UHFFFAOYSA-N 0 0 431.880 2.146 50 0 IEAARN COC(=O)[C@@H](NC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)C(C)C ZINC000015776493 568823959 /nfs/dbraw/zinc/82/39/59/568823959.db2.gz RYBMCZNMISAWPI-FQEVSTJZSA-N 0 0 428.468 2.122 50 0 IEAARN COc1ccc(NC(=O)CCc2nnc3ccc(NCCCN4CCCC4=O)nn32)cc1 ZINC000015776731 568823967 /nfs/dbraw/zinc/82/39/67/568823967.db2.gz PCEKDJKTIDDNAI-UHFFFAOYSA-N 0 0 437.504 2.129 50 0 IEAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 ZINC000085645008 568829784 /nfs/dbraw/zinc/82/97/84/568829784.db2.gz XJOMSIGMOASGQQ-UHFFFAOYSA-N 0 0 445.520 2.452 50 0 IEAARN CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000085650833 568830866 /nfs/dbraw/zinc/83/08/66/568830866.db2.gz INRGYVWRFWZQHZ-LJQANCHMSA-N 0 0 444.557 2.065 50 0 IEAARN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC(C)CC2)c1 ZINC000085650872 568830901 /nfs/dbraw/zinc/83/09/01/568830901.db2.gz ZWSHLSBWONCDLK-UHFFFAOYSA-N 0 0 432.546 2.454 50 0 IEAARN CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)CC(=O)NC3CCCCCC3)c[nH]2)CC1 ZINC000085650863 568830919 /nfs/dbraw/zinc/83/09/19/568830919.db2.gz VWZSESDEKUROEU-UHFFFAOYSA-N 0 0 438.594 2.346 50 0 IEAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000085650952 568831085 /nfs/dbraw/zinc/83/10/85/568831085.db2.gz HTNPMWUHGREAOT-HNNXBMFYSA-N 0 0 448.520 2.429 50 0 IEAARN Cc1cccc(CNC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3sc2=O)c1 ZINC000085651944 568831653 /nfs/dbraw/zinc/83/16/53/568831653.db2.gz NVOWCZBNLHDHSZ-UHFFFAOYSA-N 0 0 445.566 2.472 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000085654178 568832438 /nfs/dbraw/zinc/83/24/38/568832438.db2.gz HUTHQADDQXHENF-UHFFFAOYSA-N 0 0 428.489 2.191 50 0 IEAARN Cc1cc(C)cc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1 ZINC000085654234 568832453 /nfs/dbraw/zinc/83/24/53/568832453.db2.gz RUOGKHNCKOLUIU-UHFFFAOYSA-N 0 0 442.516 2.499 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c(C)c1 ZINC000085654206 568832457 /nfs/dbraw/zinc/83/24/57/568832457.db2.gz HWCSJHNEFIPODZ-UHFFFAOYSA-N 0 0 442.516 2.499 50 0 IEAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000085654345 568833492 /nfs/dbraw/zinc/83/34/92/568833492.db2.gz UYTDGCBIXTXEEB-UHFFFAOYSA-N 0 0 440.525 2.142 50 0 IEAARN COc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CO2 ZINC000015787373 568836878 /nfs/dbraw/zinc/83/68/78/568836878.db2.gz GMUGDUFJLVQLLV-GOSISDBHSA-N 0 0 425.485 2.255 50 0 IEAARN COC(=O)COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)cc1OC ZINC000085874896 568837971 /nfs/dbraw/zinc/83/79/71/568837971.db2.gz CHZQNUDYMAFKJG-GHTZIAJQSA-N 0 0 440.404 2.419 50 0 biogenic IEAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H]3CCOC(C)(C)C3)C2=O)cc1OC ZINC000085876925 568838547 /nfs/dbraw/zinc/83/85/47/568838547.db2.gz HHICWVJKBOVZDE-IRXDYDNUSA-N 0 0 447.532 2.021 50 0 biogenic IEAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCOC(C)(C)C3)C2=O)cc1OC ZINC000085876921 568838553 /nfs/dbraw/zinc/83/85/53/568838553.db2.gz HHICWVJKBOVZDE-SJORKVTESA-N 0 0 447.532 2.021 50 0 biogenic IEAARN NC(=O)c1c2c(sc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)CCC2 ZINC000015822864 568840010 /nfs/dbraw/zinc/84/00/10/568840010.db2.gz KCZRSPZWQPITSV-LLVKDONJSA-N 0 0 425.557 2.189 50 0 IEAARN O=C(Cc1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000015824944 568840540 /nfs/dbraw/zinc/84/05/40/568840540.db2.gz ICZFWTZMWFEYJS-UHFFFAOYSA-N 0 0 435.438 2.380 50 0 IEAARN Cc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 ZINC000015824926 568840580 /nfs/dbraw/zinc/84/05/80/568840580.db2.gz WRWUOXYCKARYFY-UHFFFAOYSA-N 0 0 447.474 2.386 50 0 IEAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000001518415 568841288 /nfs/dbraw/zinc/84/12/88/568841288.db2.gz RPLPGXXBCAAODI-UHFFFAOYSA-N 0 0 445.522 2.411 50 0 IEAARN OC1COCCOc2ccccc2OCCOCCOc2ccccc2OCCOC1 ZINC000004552105 568841971 /nfs/dbraw/zinc/84/19/71/568841971.db2.gz PKPKBCOODQUCPM-UHFFFAOYSA-N 0 0 434.485 2.326 50 0 IEAARN Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CC2)c1C ZINC000015842502 568844639 /nfs/dbraw/zinc/84/46/39/568844639.db2.gz FTOWMBWRZHYVDA-UHFFFAOYSA-N 0 0 427.526 2.332 50 0 IEAARN Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)CCS4(=O)=O)c3)CC2)c1C ZINC000015858513 568846577 /nfs/dbraw/zinc/84/65/77/568846577.db2.gz ITMUXQNWQXTZAQ-UHFFFAOYSA-N 0 0 427.526 2.332 50 0 IEAARN O=C(C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)NCCc1ccccc1)NCCc1ccccc1 ZINC000006148540 568846738 /nfs/dbraw/zinc/84/67/38/568846738.db2.gz UQVDCLFBCGJMAZ-FGZHOGPDSA-N 0 0 442.581 2.145 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccc(-n2ccnc2)cc1 ZINC000006148079 568846760 /nfs/dbraw/zinc/84/67/60/568846760.db2.gz MZKGKFUEPZAVGX-UHFFFAOYSA-N 0 0 427.482 2.421 50 0 IEAARN CCn1c(=O)c(N2CCN(C(=O)COc3ccccc3)CC2)c(C)n(-c2ccccc2)c1=O ZINC000015863318 568849289 /nfs/dbraw/zinc/84/92/89/568849289.db2.gz LVWDVCNVFLUZRS-UHFFFAOYSA-N 0 0 448.523 2.055 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCCc3ccccc3)CC2)cc1 ZINC000015881667 568855905 /nfs/dbraw/zinc/85/59/05/568855905.db2.gz KYMBZWKCNQVPTQ-UHFFFAOYSA-N 0 0 429.586 2.440 50 0 IEAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000015883762 568857959 /nfs/dbraw/zinc/85/79/59/568857959.db2.gz GZRHOWRLRWEWBD-UHFFFAOYSA-N 0 0 442.541 2.435 50 0 IEAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CN2CCSC2=S)CC1 ZINC000012935746 568864869 /nfs/dbraw/zinc/86/48/69/568864869.db2.gz KZWWTOWXKJUPHD-UHFFFAOYSA-N 0 0 425.523 2.303 50 0 IEAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012942927 568870094 /nfs/dbraw/zinc/87/00/94/568870094.db2.gz NVLGZNSNMRNKAH-LJQANCHMSA-N 0 0 432.517 2.350 50 0 IEAARN COC(=O)C1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCCC1 ZINC000012942698 568870127 /nfs/dbraw/zinc/87/01/27/568870127.db2.gz HFFHDCSZLZVLLN-UHFFFAOYSA-N 0 0 444.575 2.015 50 0 IEAARN COc1ccc(-c2noc(CN3CCN(C(=O)CNC(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000012944808 568870658 /nfs/dbraw/zinc/87/06/58/568870658.db2.gz NLMGOANKFWMECB-UHFFFAOYSA-N 0 0 449.511 2.128 50 0 IEAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000006195376 568876908 /nfs/dbraw/zinc/87/69/08/568876908.db2.gz JOCMDKFQVJIUAL-UHFFFAOYSA-N 0 0 427.480 2.380 50 0 IEAARN COc1nc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCCCC2)n1 ZINC000575605882 568878094 /nfs/dbraw/zinc/87/80/94/568878094.db2.gz GDVHQPPPBWQCGY-UHFFFAOYSA-N 0 0 447.439 2.248 50 0 IEAARN CSc1cccc(NC(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 ZINC000575607998 568878234 /nfs/dbraw/zinc/87/82/34/568878234.db2.gz RXCZNCJAWTUTGH-UHFFFAOYSA-N 0 0 429.550 2.352 50 0 IEAARN COc1nc(CNS(=O)(=O)c2ccc(Br)s2)nc(N2CCCCC2)n1 ZINC000575608434 568878409 /nfs/dbraw/zinc/87/84/09/568878409.db2.gz UNQGSUHNPWKQHE-UHFFFAOYSA-N 0 0 448.368 2.173 50 0 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O=C(CN1CCc2ccccc2C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016443140 568902776 /nfs/dbraw/zinc/90/27/76/568902776.db2.gz BSCDECNRCDFMJS-UHFFFAOYSA-N 0 0 449.960 2.358 50 0 IEAARN CC(=O)NCCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524729781 568903842 /nfs/dbraw/zinc/90/38/42/568903842.db2.gz JETDNWJUZKXQNM-HNNXBMFYSA-N 0 0 438.436 2.002 50 0 biogenic IEAARN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 ZINC000390832932 568909584 /nfs/dbraw/zinc/90/95/84/568909584.db2.gz GNVHJWXZGGOVOS-YJBOKZPZSA-N 0 0 435.521 2.009 50 0 IEAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1Cl ZINC000245227030 568912923 /nfs/dbraw/zinc/91/29/23/568912923.db2.gz XAYHBRQVRJQCAH-HUUCEWRRSA-N 0 0 430.954 2.435 50 0 IEAARN O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2 ZINC000245256336 568914005 /nfs/dbraw/zinc/91/40/05/568914005.db2.gz PDSKMGFVNPQXRQ-QAQDUYKDSA-N 0 0 440.537 2.276 50 0 IEAARN CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 ZINC000001864789 568916983 /nfs/dbraw/zinc/91/69/83/568916983.db2.gz WWDROQOEXLSDJN-LJQANCHMSA-N 0 0 444.454 2.379 50 0 IEAARN NC(=O)c1c(NC(=O)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)sc2c1CCCC2 ZINC000001908416 568919472 /nfs/dbraw/zinc/91/94/72/568919472.db2.gz REZIQRBTRKOBRP-UHFFFAOYSA-N 0 0 446.554 2.342 50 0 IEAARN COC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccc(F)cc1F ZINC000089396243 568922333 /nfs/dbraw/zinc/92/23/33/568922333.db2.gz JSJNQKHCSRZELG-SFHVURJKSA-N 0 0 438.452 2.297 50 0 IEAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 ZINC000089493519 568927019 /nfs/dbraw/zinc/92/70/19/568927019.db2.gz VVKCRJRHNJSYFF-MRXNPFEDSA-N 0 0 428.576 2.307 50 0 IEAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc32)no1 ZINC000064450584 568928573 /nfs/dbraw/zinc/92/85/73/568928573.db2.gz FMECORWHOYCBBQ-UHFFFAOYSA-N 0 0 440.481 2.445 50 0 IEAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N4c5ccccc5C[C@H]4C)cc32)no1 ZINC000064450613 568928632 /nfs/dbraw/zinc/92/86/32/568928632.db2.gz JFZRKEQLSQTYLL-CYBMUJFWSA-N 0 0 440.481 2.444 50 0 IEAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NCc1ccccn1)C2 ZINC000064565610 568932431 /nfs/dbraw/zinc/93/24/31/568932431.db2.gz XWAXFYJLVYHVDX-UHFFFAOYSA-N 0 0 446.511 2.049 50 0 IEAARN Cn1c2cc(NC(=O)Nc3ccc4c(c3)OCO4)c(N3CCOCC3)cc2n(C)c1=O ZINC000064590982 568935480 /nfs/dbraw/zinc/93/54/80/568935480.db2.gz NEYWGYDKBAJPSY-UHFFFAOYSA-N 0 0 425.445 2.086 50 0 IEAARN O=C(CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)Nc1ccc2c(c1)OCO2 ZINC000064593008 568935639 /nfs/dbraw/zinc/93/56/39/568935639.db2.gz WOKXNAIJPUHORL-UHFFFAOYSA-N 0 0 439.428 2.479 50 0 IEAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000089534381 568936558 /nfs/dbraw/zinc/93/65/58/568936558.db2.gz HJSKIZJCJYHQKT-UHFFFAOYSA-N 0 0 430.508 2.393 50 0 IEAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035991604 568941807 /nfs/dbraw/zinc/94/18/07/568941807.db2.gz ARVPEBVQTSWMIL-XLIONFOSSA-N 0 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Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccncc3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085519 568948088 /nfs/dbraw/zinc/94/80/88/568948088.db2.gz ITGXVTBHRSZFAZ-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN O=C(NC1CC1)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036086163 568948416 /nfs/dbraw/zinc/94/84/16/568948416.db2.gz PXDFAIMWHHWUDQ-UHFFFAOYSA-N 0 0 430.386 2.354 50 0 IEAARN O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086194 568948521 /nfs/dbraw/zinc/94/85/21/568948521.db2.gz OHUASZOUBWZYKY-KRWDZBQOSA-N 0 0 440.887 2.005 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3cccc(C)c3)c2=O)cc1 ZINC000036086653 568948951 /nfs/dbraw/zinc/94/89/51/568948951.db2.gz OOBFNMLKQYJNKA-UHFFFAOYSA-N 0 0 441.491 2.384 50 0 IEAARN COCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036087858 568949507 /nfs/dbraw/zinc/94/95/07/568949507.db2.gz FXIGJXBCOIEYIP-UHFFFAOYSA-N 0 0 436.512 2.251 50 0 IEAARN O=C(NC1CC1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036088170 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ZINC000089920199 569167808 /nfs/dbraw/zinc/16/78/08/569167808.db2.gz IYWFLKOGVJVAID-DMZKTXOQSA-N 0 0 445.472 2.034 50 0 IEAARN CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 ZINC000089947865 569168579 /nfs/dbraw/zinc/16/85/79/569168579.db2.gz PYFQTWVDQBWGHL-LJQANCHMSA-N 0 0 430.526 2.485 50 0 IEAARN COc1ccccc1C1(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CCOCC1 ZINC000016975607 569168777 /nfs/dbraw/zinc/16/87/77/569168777.db2.gz DSQQILNXSNBAEE-UHFFFAOYSA-N 0 0 426.469 2.270 50 0 IEAARN CCOC(=O)c1ccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)cc1 ZINC000016977555 569168925 /nfs/dbraw/zinc/16/89/25/569168925.db2.gz WQMWDRSNVHNKGO-HXUWFJFHSA-N 0 0 446.463 2.125 50 0 biogenic IEAARN CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)CN(C)S(C)(=O)=O ZINC000089960803 569169049 /nfs/dbraw/zinc/16/90/49/569169049.db2.gz XVEKWQKJTQETBH-HNNXBMFYSA-N 0 0 425.334 2.338 50 0 IEAARN CCOC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1)C(C)C ZINC000089978061 569169545 /nfs/dbraw/zinc/16/95/45/569169545.db2.gz ICOIQTMAKFLTGT-XIKOKIGWSA-N 0 0 426.897 2.414 50 0 IEAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NC[C@@H]3CCCO3)c12 ZINC000016992999 569169861 /nfs/dbraw/zinc/16/98/61/569169861.db2.gz AYJOUYUJBIHTSG-CABCVRRESA-N 0 0 444.513 2.268 50 0 IEAARN Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000017041843 569171479 /nfs/dbraw/zinc/17/14/79/569171479.db2.gz GBIXYHINEACQHO-UHFFFAOYSA-N 0 0 432.455 2.370 50 0 IEAARN COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000017051386 569171861 /nfs/dbraw/zinc/17/18/61/569171861.db2.gz RNELXKXRKUKRDX-KRWDZBQOSA-N 0 0 442.541 2.451 50 0 IEAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000001050304 569176426 /nfs/dbraw/zinc/17/64/26/569176426.db2.gz QIKILVFXMOUEIB-UHFFFAOYSA-N 0 0 446.525 2.449 50 0 IEAARN COC(=O)C[C@@H]1CSCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170636906 569178325 /nfs/dbraw/zinc/17/83/25/569178325.db2.gz PPESVQXTVHGPIJ-LLVKDONJSA-N 0 0 425.304 2.411 50 0 IEAARN CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002111767 569181977 /nfs/dbraw/zinc/18/19/77/569181977.db2.gz FTHXNBPWNYRIIN-MZNJEOGPSA-N 0 0 442.512 2.004 50 0 biogenic IEAARN Cc1ccc(C(=O)O[C@@H]2C[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O[C@H]2CO)cc1 ZINC000252430843 569183424 /nfs/dbraw/zinc/18/34/24/569183424.db2.gz NXWFPHFVYAGVET-DYXWJJEUSA-N 0 0 449.463 2.309 50 0 IEAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(OC)OC)CC(=O)N12 ZINC000002125364 569183920 /nfs/dbraw/zinc/18/39/20/569183920.db2.gz SBCZPNDQGDKGMM-YADARESESA-N 0 0 449.507 2.480 50 0 biogenic IEAARN C[C@@H]1CN([C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c2c(F)cccc2Cl)CCO1 ZINC000252452480 569184163 /nfs/dbraw/zinc/18/41/63/569184163.db2.gz KYYHPNXEAQCMEU-ZXFNITATSA-N 0 0 449.976 2.185 50 0 IEAARN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)CC3CCCCC3)CC1)C2=O ZINC000252477611 569186042 /nfs/dbraw/zinc/18/60/42/569186042.db2.gz RIBGCEBNTGEDJV-MRSFGVLCSA-N 0 0 446.592 2.374 50 0 IEAARN CCOC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3[C@@H](C)c2ccccc2)n(C)c1=O ZINC000010233700 569188328 /nfs/dbraw/zinc/18/83/28/569188328.db2.gz XTGJABIPTLWOQU-INIZCTEOSA-N 0 0 437.500 2.329 50 0 IEAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1 ZINC000252527514 569189564 /nfs/dbraw/zinc/18/95/64/569189564.db2.gz CTFCMPWOAQPAMA-QGZVFWFLSA-N 0 0 427.892 2.099 50 0 IEAARN CC(C)(C)OC(=O)NC1CCN(C(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000252536411 569189906 /nfs/dbraw/zinc/18/99/06/569189906.db2.gz IMMOOCJHUWDHGJ-QGZVFWFLSA-N 0 0 430.505 2.217 50 0 IEAARN COC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@]12c1ccccc1N(C)C2=O ZINC000002195824 569191364 /nfs/dbraw/zinc/19/13/64/569191364.db2.gz JFOIELPKRAEHRQ-XMMPIXPASA-N 0 0 434.448 2.292 50 0 IEAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)C2=O)cc1 ZINC000170692967 569196087 /nfs/dbraw/zinc/19/60/87/569196087.db2.gz NRXZEFAOHHQYKT-MWHCCQJPSA-N 0 0 427.526 2.377 50 0 IEAARN CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)sc2c1 ZINC000070641468 569197556 /nfs/dbraw/zinc/19/75/56/569197556.db2.gz SQNYCERODFBGSY-MRXNPFEDSA-N 0 0 445.522 2.066 50 0 IEAARN COCCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21 ZINC000037512662 569198037 /nfs/dbraw/zinc/19/80/37/569198037.db2.gz LRPNIQBYSGOARX-UHFFFAOYSA-N 0 0 426.469 2.217 50 0 IEAARN COCCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3F)cc21 ZINC000037512828 569198137 /nfs/dbraw/zinc/19/81/37/569198137.db2.gz UZZAYLRNQTYRMK-UHFFFAOYSA-N 0 0 444.459 2.356 50 0 IEAARN COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)C(C)C)CC2)cc1 ZINC000037574713 569201350 /nfs/dbraw/zinc/20/13/50/569201350.db2.gz PGDVGRKYLNWDDD-UHFFFAOYSA-N 0 0 425.489 2.114 50 0 IEAARN CCCNC(=O)C1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1 ZINC000037576388 569201429 /nfs/dbraw/zinc/20/14/29/569201429.db2.gz BXLXESSYOHIMRO-UHFFFAOYSA-N 0 0 437.544 2.308 50 0 IEAARN CC(C)CCNC(=O)[C@@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037578109 569201487 /nfs/dbraw/zinc/20/14/87/569201487.db2.gz YRWREFLDKBOMIA-QGZVFWFLSA-N 0 0 425.533 2.210 50 0 IEAARN C[C@H](CCOc1ccc([C@H]2CC(=O)NC2=O)cc1)Oc1ccc([C@H]2CC(=O)NC2=O)cc1 ZINC000245232057 569205570 /nfs/dbraw/zinc/20/55/70/569205570.db2.gz OOYBLZBMDSJHSD-JSNMRZPZSA-N 0 0 436.464 2.183 50 0 IEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000252672055 569210069 /nfs/dbraw/zinc/21/00/69/569210069.db2.gz PBGMDUQRXSENJL-GOSISDBHSA-N 0 0 426.519 2.478 50 0 IEAARN CC(=O)OCC(=O)[C@@]1(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 ZINC000039953551 569257823 /nfs/dbraw/zinc/25/78/23/569257823.db2.gz AKUJBENLRBOFTD-HKPPHUQOSA-N 0 0 434.504 2.467 50 0 IEAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000253380908 569264124 /nfs/dbraw/zinc/26/41/24/569264124.db2.gz CBPOOYULSIEABU-CXAPEUGFSA-N 0 0 441.459 2.147 50 0 IEAARN O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000253404534 569265104 /nfs/dbraw/zinc/26/51/04/569265104.db2.gz RCXPJNHWASMOHS-UHFFFAOYSA-N 0 0 426.800 2.491 50 0 IEAARN Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3cccs3)cc21 ZINC000253408743 569265594 /nfs/dbraw/zinc/26/55/94/569265594.db2.gz YSGCFYZDMAASLJ-GOSISDBHSA-N 0 0 436.536 2.469 50 0 IEAARN CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)c1 ZINC000253410138 569265734 /nfs/dbraw/zinc/26/57/34/569265734.db2.gz MWMRVBXNWRUXSA-NVVBAYIOSA-N 0 0 442.516 2.004 50 0 biogenic IEAARN CC(=O)NC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C1 ZINC000253418775 569266674 /nfs/dbraw/zinc/26/66/74/569266674.db2.gz SXUHKLZQPGPNHC-IBGZPJMESA-N 0 0 429.542 2.072 50 0 IEAARN CC(C)(C)CC(=O)NCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CNC(=O)CC(C)(C)C ZINC000253419716 569266852 /nfs/dbraw/zinc/26/68/52/569266852.db2.gz RILTXQZGSSEYBX-HZPDHXFCSA-N 0 0 426.554 2.489 50 0 IEAARN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000253427532 569267356 /nfs/dbraw/zinc/26/73/56/569267356.db2.gz AKOBHYPTXMCAKN-ROUUACIJSA-N 0 0 443.610 2.154 50 0 IEAARN CC(C)CNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 ZINC000002291724 569268019 /nfs/dbraw/zinc/26/80/19/569268019.db2.gz YRVZNOSUNINVHR-UHFFFAOYSA-N 0 0 438.513 2.189 50 0 IEAARN Cc1ccc([C@H](CNC(=O)c2nc3ccc(Br)cn3n2)N2CCOCC2)o1 ZINC000253431146 569268581 /nfs/dbraw/zinc/26/85/81/569268581.db2.gz UEACVNDWRRKQNP-AWEZNQCLSA-N 0 0 434.294 2.197 50 0 IEAARN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570334 569273249 /nfs/dbraw/zinc/27/32/49/569273249.db2.gz JSVPZGIPEVUKRB-HZPDHXFCSA-N 0 0 430.530 2.012 50 0 IEAARN CC1CCN(c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2C)CC1 ZINC000002334127 569274163 /nfs/dbraw/zinc/27/41/63/569274163.db2.gz AHFSMXJYZIFBMZ-UHFFFAOYSA-N 0 0 446.349 2.481 50 0 biogenic IEAARN O=C(NC[C@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000253487606 569283049 /nfs/dbraw/zinc/28/30/49/569283049.db2.gz MOTHUJKQNSAOTL-AGILITTLSA-N 0 0 446.551 2.205 50 0 IEAARN COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623644 569284386 /nfs/dbraw/zinc/28/43/86/569284386.db2.gz CXJSZQSTNKJNBE-GFCCVEGCSA-N 0 0 428.397 2.237 50 0 biogenic IEAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 ZINC000008661425 569290030 /nfs/dbraw/zinc/29/00/30/569290030.db2.gz OBDKFBDTOKTNJB-KRWDZBQOSA-N 0 0 427.526 2.185 50 0 IEAARN CC(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000077270559 569293175 /nfs/dbraw/zinc/29/31/75/569293175.db2.gz YGFMQPHTQKCJPI-LLVKDONJSA-N 0 0 449.355 2.194 50 0 in-vitro IEAARN Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1C1CC1 ZINC000009365997 569295862 /nfs/dbraw/zinc/29/58/62/569295862.db2.gz BVBIZTZBTBQQIB-NTEUORMPSA-N 0 0 447.586 2.158 50 0 IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)C1 ZINC000009445341 569296499 /nfs/dbraw/zinc/29/64/99/569296499.db2.gz VDAZXJXJMWVWFO-CQSZACIVSA-N 0 0 437.543 2.007 50 0 IEAARN COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)C(F)(F)F)cc1 ZINC000027754052 569296587 /nfs/dbraw/zinc/29/65/87/569296587.db2.gz SOQICRJXVIIMDR-JTDSTZFVSA-N 0 0 440.374 2.356 50 0 IEAARN COc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)C(F)(F)F)cc1 ZINC000027754066 569296619 /nfs/dbraw/zinc/29/66/19/569296619.db2.gz SOQICRJXVIIMDR-GPMSIDNRSA-N 0 0 440.374 2.356 50 0 IEAARN COC(=O)C[C@H](c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)C(C)C ZINC000225413199 569299211 /nfs/dbraw/zinc/29/92/11/569299211.db2.gz WAWOTHXNLZPALE-RYRKJORJSA-N 0 0 442.512 2.429 50 0 biogenic IEAARN COc1ccc(COc2nc(N3CCN(C)CC3)ncc2I)cc1 ZINC000115723530 569301949 /nfs/dbraw/zinc/30/19/49/569301949.db2.gz WTHORNFWMVPXRJ-UHFFFAOYSA-N 0 0 440.285 2.421 50 0 IEAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)N[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000011859342 569302958 /nfs/dbraw/zinc/30/29/58/569302958.db2.gz WUINHCBHKGWRQF-GFCCVEGCSA-N 0 0 434.568 2.187 50 0 IEAARN C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000012897412 569305009 /nfs/dbraw/zinc/30/50/09/569305009.db2.gz OACAZKAYRUIRND-VTQMLYMZSA-N 0 0 425.466 2.175 50 0 biogenic IEAARN CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013041225 569308107 /nfs/dbraw/zinc/30/81/07/569308107.db2.gz ZJIXKBDONDEYKJ-UHFFFAOYSA-N 0 0 448.520 2.392 50 0 IEAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000013040882 569308116 /nfs/dbraw/zinc/30/81/16/569308116.db2.gz CLFJLIAWOCAIRF-INIZCTEOSA-N 0 0 434.514 2.431 50 0 IEAARN CC(C)CN(C(=O)CN(C)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057272 569308417 /nfs/dbraw/zinc/30/84/17/569308417.db2.gz KOEOQOLLSYKVJF-UHFFFAOYSA-N 0 0 435.528 2.293 50 0 IEAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(N)(=O)=O)c3)cc2)CC1 ZINC000013096662 569309572 /nfs/dbraw/zinc/30/95/72/569309572.db2.gz XHOZSVAMCDANIZ-UHFFFAOYSA-N 0 0 437.543 2.007 50 0 IEAARN COC(=O)c1ccc2c(c1)nc(COC(=O)c1nn(-c3ccccc3)cc1OC)[nH]c2=O ZINC000013112358 569310418 /nfs/dbraw/zinc/31/04/18/569310418.db2.gz GFWRJCAQQPGJNZ-UHFFFAOYSA-N 0 0 434.408 2.261 50 0 IEAARN Cc1cc(C)cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000013141698 569311787 /nfs/dbraw/zinc/31/17/87/569311787.db2.gz POSHTGNUSFTFEO-UHFFFAOYSA-N 0 0 445.541 2.020 50 0 IEAARN COCCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000013357092 569313655 /nfs/dbraw/zinc/31/36/55/569313655.db2.gz YRCULLDUNRBOIW-UHFFFAOYSA-N 0 0 445.541 2.102 50 0 IEAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000078752136 569318840 /nfs/dbraw/zinc/31/88/40/569318840.db2.gz FQMYSZIEQBEXJR-GHTZIAJQSA-N 0 0 446.567 2.125 50 0 IEAARN CCOC(=O)c1cc(Br)cc(F)c1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000078805956 569319084 /nfs/dbraw/zinc/31/90/84/569319084.db2.gz NSUOXGLXWWMGFH-UHFFFAOYSA-N 0 0 448.270 2.003 50 0 IEAARN O=C(CSc1nnnn1-c1ccccc1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000078875375 569319675 /nfs/dbraw/zinc/31/96/75/569319675.db2.gz ZEXNKPRDUUSHNA-QGZVFWFLSA-N 0 0 445.501 2.237 50 0 IEAARN COc1ccc(C(=O)NC[C@@](C)(O)c2ccc(C)o2)cc1S(=O)(=O)NC1CCCC1 ZINC000078941836 569320376 /nfs/dbraw/zinc/32/03/76/569320376.db2.gz PQTCWDJSFVBPFC-OAQYLSRUSA-N 0 0 436.530 2.455 50 0 IEAARN CN(CC(=O)N1CCCC[C@H]1c1cccn1C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000078971482 569321117 /nfs/dbraw/zinc/32/11/17/569321117.db2.gz BHEIAWOKHOLWAQ-SFHVURJKSA-N 0 0 433.530 2.171 50 0 IEAARN Cc1ccc(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000079017809 569322209 /nfs/dbraw/zinc/32/22/09/569322209.db2.gz LMBKSNNZMAARPX-UHFFFAOYSA-N 0 0 444.579 2.155 50 0 IEAARN NC(=O)c1ccccc1Oc1cccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000079020043 569322334 /nfs/dbraw/zinc/32/23/34/569322334.db2.gz XFUPRUJNMCYRIX-CTNGQTDRSA-N 0 0 431.448 2.291 50 0 IEAARN CN1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079074133 569324683 /nfs/dbraw/zinc/32/46/83/569324683.db2.gz NNWALNKDNLRJEI-QZTJIDSGSA-N 0 0 430.549 2.245 50 0 IEAARN CN1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079076051 569324689 /nfs/dbraw/zinc/32/46/89/569324689.db2.gz XZARIVRHRJKGDL-QGZVFWFLSA-N 0 0 433.509 2.316 50 0 IEAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H]1CCS(=O)(=O)C1)OC(C)(C)CC3 ZINC000079189969 569327906 /nfs/dbraw/zinc/32/79/06/569327906.db2.gz JHFLIZBZAZEBEU-HNNXBMFYSA-N 0 0 433.526 2.441 50 0 biogenic IEAARN CCOc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000019819906 569329883 /nfs/dbraw/zinc/32/98/83/569329883.db2.gz PHSBYCPJAQUOEV-IBGZPJMESA-N 0 0 434.514 2.166 50 0 IEAARN COc1cccc(-c2nc(C)c(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)s2)c1 ZINC000079481169 569330878 /nfs/dbraw/zinc/33/08/78/569330878.db2.gz JKBALFXHHVICBA-INIZCTEOSA-N 0 0 435.571 2.072 50 0 IEAARN COc1cc2c(cc1OC)CN(C(=O)CCc1nnc3ccc(OC(C)C)nn31)CC2 ZINC000079483946 569330994 /nfs/dbraw/zinc/33/09/94/569330994.db2.gz GHVHTEFJBJEPKH-UHFFFAOYSA-N 0 0 425.489 2.446 50 0 IEAARN COc1ccc(OC)c(-n2cc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)c1 ZINC000079494248 569331361 /nfs/dbraw/zinc/33/13/61/569331361.db2.gz PVXRWGURIMZFEJ-UHFFFAOYSA-N 0 0 437.496 2.070 50 0 IEAARN O=C(NCCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000020062158 569333070 /nfs/dbraw/zinc/33/30/70/569333070.db2.gz ILUCWRPCYDNYJH-UHFFFAOYSA-N 0 0 443.997 2.357 50 0 IEAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(F)cc1)c2=O ZINC000020102794 569333969 /nfs/dbraw/zinc/33/39/69/569333969.db2.gz RSMAQPNVGHKSMV-UHFFFAOYSA-N 0 0 442.516 2.266 50 0 IEAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(C)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000020114141 569334751 /nfs/dbraw/zinc/33/47/51/569334751.db2.gz LZODQNVTJSEOJY-UXHICEINSA-N 0 0 429.542 2.450 50 0 IEAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCNC(C)=O)C2=S)c1 ZINC000020114819 569334874 /nfs/dbraw/zinc/33/48/74/569334874.db2.gz KBEOVWRFOXOXCQ-IBGZPJMESA-N 0 0 440.525 2.162 50 0 IEAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CCN(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153364 569353445 /nfs/dbraw/zinc/35/34/45/569353445.db2.gz AZWZJYXEZJCDAJ-XZOQPEGZSA-N 0 0 435.524 2.315 50 0 IEAARN COCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2c(c1=O)SCC2 ZINC000020154955 569353776 /nfs/dbraw/zinc/35/37/76/569353776.db2.gz IWUKSUFPNCFZGQ-UHFFFAOYSA-N 0 0 434.543 2.227 50 0 IEAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000390831051 569354290 /nfs/dbraw/zinc/35/42/90/569354290.db2.gz PHWJHXNJMSJHEJ-YCRPNKLZSA-N 0 0 443.525 2.407 50 0 IEAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020174382 569354356 /nfs/dbraw/zinc/35/43/56/569354356.db2.gz VCZPFUSCPCSTLP-UHFFFAOYSA-N 0 0 443.525 2.049 50 0 IEAARN O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21)NCCN1CCOCC1 ZINC000020180818 569355123 /nfs/dbraw/zinc/35/51/23/569355123.db2.gz MRLQJXJJYJTINS-RCCKNPSSSA-N 0 0 425.460 2.041 50 0 IEAARN CC1=C[C@H]2C(=O)NC(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)=N[C@H]2S1 ZINC000094992940 569355738 /nfs/dbraw/zinc/35/57/38/569355738.db2.gz ZSYDHKUBHCTZGJ-KXBFYZLASA-N 0 0 428.543 2.119 50 0 IEAARN CC1=C[C@@H]2C(=O)NC(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)=N[C@@H]2S1 ZINC000094992939 569355776 /nfs/dbraw/zinc/35/57/76/569355776.db2.gz ZSYDHKUBHCTZGJ-DNVCBOLYSA-N 0 0 428.543 2.119 50 0 IEAARN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214011 569356467 /nfs/dbraw/zinc/35/64/67/569356467.db2.gz KPEJZLWLWWMGTA-GOSISDBHSA-N 0 0 435.908 2.350 50 0 IEAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCc4ccccc4)[nH]c3c2cc1OC ZINC000020234065 569357276 /nfs/dbraw/zinc/35/72/76/569357276.db2.gz MZRRRXOCZAXLAY-OAHLLOKOSA-N 0 0 438.509 2.468 50 0 IEAARN COC(=O)c1sc2nc(SCC(=O)N3CCCc4ccccc43)n(N)c(=O)c2c1C ZINC000020237683 569357485 /nfs/dbraw/zinc/35/74/85/569357485.db2.gz KGOMBDFNEYOERP-UHFFFAOYSA-N 0 0 444.538 2.338 50 0 IEAARN CCOC(=O)N1CCN(C(=O)C[S@@](=O)Cc2nc(-c3ccc(OC)cc3)oc2C)CC1 ZINC000020241428 569357933 /nfs/dbraw/zinc/35/79/33/569357933.db2.gz OSTJLBHRFJLXLX-WJOKGBTCSA-N 0 0 449.529 2.208 50 0 IEAARN CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020287934 569359304 /nfs/dbraw/zinc/35/93/04/569359304.db2.gz VKEBUWGYFCUQRH-OXJNMPFZSA-N 0 0 432.565 2.387 50 0 IEAARN CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccccc2OC)CC1 ZINC000020288015 569359307 /nfs/dbraw/zinc/35/93/07/569359307.db2.gz UDKOHTUMPJPSOX-DYESRHJHSA-N 0 0 444.601 2.256 50 0 IEAARN C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCOCC1 ZINC000020287433 569359366 /nfs/dbraw/zinc/35/93/66/569359366.db2.gz NGFAFQGHCYPTSV-KKSFZXQISA-N 0 0 440.569 2.466 50 0 IEAARN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H](C)OCc3cccc(OC)c3)C2)no1 ZINC000095436366 569366546 /nfs/dbraw/zinc/36/65/46/569366546.db2.gz FJEZHQYDGKCTIU-QAPCUYQASA-N 0 0 430.505 2.195 50 0 IEAARN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H](C)OCc3cccc(OC)c3)C2)no1 ZINC000095436367 569366599 /nfs/dbraw/zinc/36/65/99/569366599.db2.gz FJEZHQYDGKCTIU-MAUKXSAKSA-N 0 0 430.505 2.195 50 0 IEAARN Cn1cc(I)c(=O)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O ZINC000095444404 569367056 /nfs/dbraw/zinc/36/70/56/569367056.db2.gz FYLGYHVWHSIZNQ-UHFFFAOYSA-N 0 0 441.269 2.088 50 0 IEAARN COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1 ZINC000095444123 569367057 /nfs/dbraw/zinc/36/70/57/569367057.db2.gz VDGFYCPAQOIYIV-QRWLVFNGSA-N 0 0 435.546 2.060 50 0 IEAARN CCn1c(CCC(=O)N2CCC[C@H]2c2ncc[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000095458558 569369233 /nfs/dbraw/zinc/36/92/33/569369233.db2.gz IEJPIYZPBIBIPC-SFHVURJKSA-N 0 0 444.561 2.326 50 0 IEAARN CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000095461551 569369799 /nfs/dbraw/zinc/36/97/99/569369799.db2.gz KMOZFSBATHXCMK-HNAYVOBHSA-N 0 0 434.558 2.493 50 0 IEAARN CC(C)C[C@@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)c1nc(-c2nc[nH]n2)no1 ZINC000095462275 569370143 /nfs/dbraw/zinc/37/01/43/569370143.db2.gz QOODKZVTIVYRIH-CQSZACIVSA-N 0 0 425.453 2.293 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)Nc3cn(C)cc(Br)c3=O)cc2C[C@@H]1C ZINC000095468577 569371383 /nfs/dbraw/zinc/37/13/83/569371383.db2.gz UKAFWEVXEAAPJE-JTQLQIEISA-N 0 0 440.319 2.246 50 0 IEAARN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2Cn2ccnn2)s1 ZINC000095469248 569371434 /nfs/dbraw/zinc/37/14/34/569371434.db2.gz HJTJASCKLQBGKR-OAHLLOKOSA-N 0 0 439.607 2.288 50 0 IEAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCCc3nc(C)cs3)cc(C3CC3)nc21 ZINC000095469688 569371537 /nfs/dbraw/zinc/37/15/37/569371537.db2.gz DSZTWMAIMYATPT-UHFFFAOYSA-N 0 0 427.530 2.500 50 0 IEAARN O=C(NCCc1nccs1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095472063 569372017 /nfs/dbraw/zinc/37/20/17/569372017.db2.gz OVWHHFCRNYESKM-SNVBAGLBSA-N 0 0 434.319 2.494 50 0 IEAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(CCc2ccccn2)CC1 ZINC000095473500 569372490 /nfs/dbraw/zinc/37/24/90/569372490.db2.gz PMTNBHXDTMMXNL-HXUWFJFHSA-N 0 0 428.606 2.409 50 0 IEAARN COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4OC)ccc3=O)CC2)c1 ZINC000095474638 569372587 /nfs/dbraw/zinc/37/25/87/569372587.db2.gz OTXUKGARATZBJJ-UHFFFAOYSA-N 0 0 434.496 2.276 50 0 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IEAARN COCCN1C(=O)c2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2C1=O ZINC000031810271 569457670 /nfs/dbraw/zinc/45/76/70/569457670.db2.gz WMSVFDYFSJXWQF-VMPITWQZSA-N 0 0 433.508 2.400 50 0 IEAARN O=C(NC[C@H](c1ccccn1)N1CCOCC1)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000670456195 569458415 /nfs/dbraw/zinc/45/84/15/569458415.db2.gz JUUOYIGWNSNXFX-YOTRHBAISA-N 0 0 436.560 2.158 50 0 IEAARN COCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004082673 569458699 /nfs/dbraw/zinc/45/86/99/569458699.db2.gz GSETZVKGSMDGJJ-MBSDFSHPSA-N 0 0 426.517 2.381 50 0 biogenic IEAARN CCc1c(C)sc2c1c1nc(-c3ccco3)nn1c(=O)n2CC(=O)N1CCOCC1 ZINC000032091472 569459583 /nfs/dbraw/zinc/45/95/83/569459583.db2.gz ZEFLUJZFDPZQFV-UHFFFAOYSA-N 0 0 427.486 2.095 50 0 IEAARN CC[C@@]1(C)Cc2nc3sc4c(ncn(CC(=O)N5CCOCC5)c4=O)c3cc2CO1 ZINC000032093200 569459711 /nfs/dbraw/zinc/45/97/11/569459711.db2.gz BZONANAIUNPBBV-NRFANRHFSA-N 0 0 428.514 2.106 50 0 IEAARN CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 ZINC000032094063 569459798 /nfs/dbraw/zinc/45/97/98/569459798.db2.gz LQXZGSKNQPSGNA-DFBGVHRSSA-N 0 0 446.367 2.289 50 0 IEAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(N(C)C)cc2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000004193796 569460839 /nfs/dbraw/zinc/46/08/39/569460839.db2.gz PEPGTAUDDSXQEN-GOSISDBHSA-N 0 0 426.517 2.181 50 0 IEAARN CCOc1c(Cl)cc(C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1OC ZINC000032333419 569461320 /nfs/dbraw/zinc/46/13/20/569461320.db2.gz HKINFJUPUFREJD-UHFFFAOYSA-N 0 0 433.940 2.479 50 0 IEAARN O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000032362759 569461439 /nfs/dbraw/zinc/46/14/39/569461439.db2.gz POTMQIBYFSWUPR-MSOLQXFVSA-N 0 0 428.510 2.131 50 0 IEAARN O=C(CSc1nnnn1C1CCCC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000008314964 569462573 /nfs/dbraw/zinc/46/25/73/569462573.db2.gz KLBHTWBEOVBWCA-INIZCTEOSA-N 0 0 427.596 2.229 50 0 IEAARN COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4cccnc4)ccc3=O)[nH]n2)c1 ZINC000038488129 569463043 /nfs/dbraw/zinc/46/30/43/569463043.db2.gz HUASASNDHDDMDX-UHFFFAOYSA-N 0 0 446.467 2.143 50 0 IEAARN COc1cccc(CNC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c1 ZINC000067226267 569465289 /nfs/dbraw/zinc/46/52/89/569465289.db2.gz CUDBEPRYSSIZDN-CQSZACIVSA-N 0 0 427.530 2.414 50 0 IEAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Cn3c4ccccc4oc3=O)cc2C1 ZINC000038678280 569466633 /nfs/dbraw/zinc/46/66/33/569466633.db2.gz BOPVTNINJPWZQR-UHFFFAOYSA-N 0 0 429.498 2.331 50 0 IEAARN CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000067286444 569466975 /nfs/dbraw/zinc/46/69/75/569466975.db2.gz UNLQHNIOQDIUDR-SFHVURJKSA-N 0 0 433.505 2.369 50 0 IEAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287087 569467053 /nfs/dbraw/zinc/46/70/53/569467053.db2.gz AQDJXLMENCYMTF-UZLBHIALSA-N 0 0 445.516 2.141 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)cc1 ZINC000038731325 569468371 /nfs/dbraw/zinc/46/83/71/569468371.db2.gz UPINFJWYUWWRLI-QZTJIDSGSA-N 0 0 447.582 2.087 50 0 IEAARN COc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)cc1 ZINC000067316820 569468417 /nfs/dbraw/zinc/46/84/17/569468417.db2.gz DDYCXTNKJRFUKN-UHFFFAOYSA-N 0 0 425.460 2.218 50 0 IEAARN CCN(CC)c1ccc(NC(=O)Cn2c(=O)cc(COC)nc2N2CCOCC2)c(C)c1 ZINC000067319468 569468497 /nfs/dbraw/zinc/46/84/97/569468497.db2.gz IBOTUOWNOAEHPK-UHFFFAOYSA-N 0 0 443.548 2.020 50 0 IEAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)CCS(=O)(=O)c2ccccc2)[nH]c1=O ZINC000038740704 569468602 /nfs/dbraw/zinc/46/86/02/569468602.db2.gz FQKBWNRANIJKSB-UHFFFAOYSA-N 0 0 429.502 2.350 50 0 IEAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCO)cc1 ZINC000067335310 569468896 /nfs/dbraw/zinc/46/88/96/569468896.db2.gz CUMJWODUBFKKMH-UHFFFAOYSA-N 0 0 433.511 2.358 50 0 IEAARN COC(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 ZINC000067336808 569468916 /nfs/dbraw/zinc/46/89/16/569468916.db2.gz ZCLKXFKRYPSLCU-UHFFFAOYSA-N 0 0 426.404 2.168 50 0 IEAARN Cc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC(C)C)c2=O)c1 ZINC000067350133 569469041 /nfs/dbraw/zinc/46/90/41/569469041.db2.gz SPTQZWLMYZFLAE-UHFFFAOYSA-N 0 0 448.479 2.381 50 0 IEAARN CN(CC(=O)OCC(=O)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008631048 569469531 /nfs/dbraw/zinc/46/95/31/569469531.db2.gz NVIMREJQOAIQGM-UHFFFAOYSA-N 0 0 425.846 2.115 50 0 IEAARN CCOCCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008661324 569469812 /nfs/dbraw/zinc/46/98/12/569469812.db2.gz QLSAISFAIVZANM-UHFFFAOYSA-N 0 0 435.546 2.249 50 0 IEAARN CC1=NN(Cc2ccc(Br)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000008706197 569470464 /nfs/dbraw/zinc/47/04/64/569470464.db2.gz BPDPUHXTFSUVJR-LLVKDONJSA-N 0 0 431.294 2.153 50 0 IEAARN CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000008706326 569470472 /nfs/dbraw/zinc/47/04/72/569470472.db2.gz YAPLNJDKKBSREH-MRXNPFEDSA-N 0 0 444.495 2.444 50 0 IEAARN CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000008706135 569470487 /nfs/dbraw/zinc/47/04/87/569470487.db2.gz QKDIFVNPTGHNAA-KRWDZBQOSA-N 0 0 438.532 2.355 50 0 IEAARN O=C(Cc1c(F)cccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008707684 569470624 /nfs/dbraw/zinc/47/06/24/569470624.db2.gz GENMBPQIZYMFMF-UHFFFAOYSA-N 0 0 426.897 2.359 50 0 IEAARN Cn1c(CCC(N)=O)nnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000008723755 569471878 /nfs/dbraw/zinc/47/18/78/569471878.db2.gz OSVGRSIZNAESDL-CQSZACIVSA-N 0 0 435.937 2.200 50 0 IEAARN C[C@H](Sc1nc2cc(S(N)(=O)=O)ccc2n1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008723604 569471880 /nfs/dbraw/zinc/47/18/80/569471880.db2.gz MDGRSWCXLHLCDT-NSHDSACASA-N 0 0 448.526 2.111 50 0 IEAARN CCOC(=O)C1=C(COC(=O)c2ccc3c(c2)OCCO3)NC(=O)N[C@H]1c1ccccc1 ZINC000008723935 569471946 /nfs/dbraw/zinc/47/19/46/569471946.db2.gz JSVVPYMIEJBNGW-FQEVSTJZSA-N 0 0 438.436 2.486 50 0 IEAARN Cc1ccc(-n2c(SCC(=O)N(C)CC(=O)NC3CC3)nnc2N2CCCCC2)cc1 ZINC000008724625 569472024 /nfs/dbraw/zinc/47/20/24/569472024.db2.gz IKLUGSMBQANYEL-UHFFFAOYSA-N 0 0 442.589 2.395 50 0 IEAARN COCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008725037 569472059 /nfs/dbraw/zinc/47/20/59/569472059.db2.gz ZXDJKRVQROGVRR-CYBMUJFWSA-N 0 0 430.896 2.002 50 0 IEAARN CCn1cnc2c1c(=O)n(CC(=O)c1[nH]c(C)c(C(C)=O)c1C)c(=O)n2Cc1ccccc1 ZINC000008725545 569472155 /nfs/dbraw/zinc/47/21/55/569472155.db2.gz HQMSYXXXSMXLPA-UHFFFAOYSA-N 0 0 447.495 2.458 50 0 IEAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000008736042 569472748 /nfs/dbraw/zinc/47/27/48/569472748.db2.gz TZOUHWWPXQUNCX-INIZCTEOSA-N 0 0 440.521 2.030 50 0 IEAARN COc1ccc(CCNC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C[C@@]34C=C[C@@H]2O4)cc1 ZINC000008764689 569474638 /nfs/dbraw/zinc/47/46/38/569474638.db2.gz ZXPRRSWBQCPNJX-UEOMBKFZSA-N 0 0 434.492 2.349 50 0 IEAARN Cc1c(C)c2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008765101 569474679 /nfs/dbraw/zinc/47/46/79/569474679.db2.gz OIVCZCVVUNWVOY-CQSZACIVSA-N 0 0 449.525 2.196 50 0 biogenic IEAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3cccs3)s2)cc1 ZINC000008770604 569475117 /nfs/dbraw/zinc/47/51/17/569475117.db2.gz SDTUTWOALQRJFW-QOCHGBHMSA-N 0 0 441.538 2.461 50 0 IEAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c1=O ZINC000008778575 569475490 /nfs/dbraw/zinc/47/54/90/569475490.db2.gz VWAYLIRQNUWTQH-AEFFLSMTSA-N 0 0 441.532 2.496 50 0 IEAARN CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C ZINC000008790397 569476033 /nfs/dbraw/zinc/47/60/33/569476033.db2.gz YFTLVPAMEUTPTF-YCNFEULBSA-N 0 0 433.574 2.063 50 0 biogenic IEAARN COC(=O)c1cc(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc(C(=O)OC)c1 ZINC000008791526 569476243 /nfs/dbraw/zinc/47/62/43/569476243.db2.gz NWBXUUGLXXUTDX-UHFFFAOYSA-N 0 0 442.468 2.274 50 0 biogenic IEAARN CCSc1nc2c(cnn2CCNC(=O)c2ccc(F)c(F)c2)c(N2CCOCC2)n1 ZINC000008793908 569476387 /nfs/dbraw/zinc/47/63/87/569476387.db2.gz VIFGCZIABHDVRC-UHFFFAOYSA-N 0 0 448.499 2.483 50 0 IEAARN CCSc1nc2c(cnn2CCNC(=O)c2ccccc2F)c(N2CCOCC2)n1 ZINC000008793885 569476394 /nfs/dbraw/zinc/47/63/94/569476394.db2.gz QALIHPNRYSLZAY-UHFFFAOYSA-N 0 0 430.509 2.344 50 0 IEAARN CCSc1nc2c(cnn2CCNC(=O)Cc2cccs2)c(N2CCOCC2)n1 ZINC000008794049 569476412 /nfs/dbraw/zinc/47/64/12/569476412.db2.gz ZCBAQBSFOMUFPF-UHFFFAOYSA-N 0 0 432.575 2.195 50 0 IEAARN C[C@@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008825137 569477339 /nfs/dbraw/zinc/47/73/39/569477339.db2.gz VKJBNPVUTZZLOQ-FKJOKYEKSA-N 0 0 440.418 2.486 50 0 IEAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cncc(Br)c1 ZINC000008834058 569477883 /nfs/dbraw/zinc/47/78/83/569477883.db2.gz ZUHFWMATSAVJHU-UHFFFAOYSA-N 0 0 426.292 2.117 50 0 IEAARN CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2C1 ZINC000008840340 569478351 /nfs/dbraw/zinc/47/83/51/569478351.db2.gz MDKKDSVZSVLPLI-UHFFFAOYSA-N 0 0 440.543 2.212 50 0 IEAARN O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000008848680 569479198 /nfs/dbraw/zinc/47/91/98/569479198.db2.gz 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COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cc(C(C)(C)C)n[nH]2)c(C)c1C ZINC000012305706 524034542 /nfs/dbraw/zinc/03/45/42/524034542.db2.gz GZEUNKKXKIANCU-LJQANCHMSA-N 0 0 441.576 2.340 50 0 IEAARN COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000021887891 524047330 /nfs/dbraw/zinc/04/73/30/524047330.db2.gz JGRDPGSHRMHHCF-UHFFFAOYSA-N 0 0 445.541 2.345 50 0 IEAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1OC ZINC000021027213 524064572 /nfs/dbraw/zinc/06/45/72/524064572.db2.gz RDRFZWJURJCDPX-HNNXBMFYSA-N 0 0 445.545 2.215 50 0 IEAARN COc1ccc(CNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1OC ZINC000015858610 524067415 /nfs/dbraw/zinc/06/74/15/524067415.db2.gz BSNPNBGVEZMYEF-UHFFFAOYSA-N 0 0 432.498 2.336 50 0 IEAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000035377767 524075739 /nfs/dbraw/zinc/07/57/39/524075739.db2.gz NNAXXWCXNYVHNZ-UHFFFAOYSA-N 0 0 442.475 2.080 50 0 IEAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCCC4)c3)CC2)c1 ZINC000015766703 524123714 /nfs/dbraw/zinc/12/37/14/524123714.db2.gz PAMLJMFRMIACBB-UHFFFAOYSA-N 0 0 445.589 2.023 50 0 IEAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 ZINC000020614210 524132650 /nfs/dbraw/zinc/13/26/50/524132650.db2.gz ODAHRNKQOKWNEU-LJQANCHMSA-N 0 0 425.485 2.160 50 0 IEAARN Cc1cccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C ZINC000012547664 524145121 /nfs/dbraw/zinc/14/51/21/524145121.db2.gz AFKHAXTWDSHRAQ-UHFFFAOYSA-N 0 0 427.574 2.004 50 0 IEAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000027427618 524156175 /nfs/dbraw/zinc/15/61/75/524156175.db2.gz MHEXUFLJXAGORH-NRFANRHFSA-N 0 0 430.574 2.407 50 0 IEAARN Cc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)s3)CC2)c1 ZINC000033121433 524179723 /nfs/dbraw/zinc/17/97/23/524179723.db2.gz NTRZJBPYXLINEV-UHFFFAOYSA-N 0 0 436.559 2.297 50 0 IEAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)NCCN2C(=O)CSC2=O)n[nH]1 ZINC000012733337 524191666 /nfs/dbraw/zinc/19/16/66/524191666.db2.gz ZUBGHGXEACKPST-UHFFFAOYSA-N 0 0 441.922 2.037 50 0 IEAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000012697885 524210041 /nfs/dbraw/zinc/21/00/41/524210041.db2.gz JNAFRYPBGFZIGY-QKVFXAPYSA-N 0 0 427.482 2.265 50 0 IEAARN COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012885941 524224950 /nfs/dbraw/zinc/22/49/50/524224950.db2.gz HVWAEASPELTZNO-UHFFFAOYSA-N 0 0 437.949 2.435 50 0 IEAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2cccnc2n(Cc2ccncc2)c(=O)c1=O ZINC000035450587 524243439 /nfs/dbraw/zinc/24/34/39/524243439.db2.gz VRMSPHMOVLATIN-GOSISDBHSA-N 0 0 443.507 2.139 50 0 IEAARN COc1ccc(Cn2c3cc4c(cc3nc(N3CCOCC3)c2=O)OCCO4)cc1F ZINC000012786068 524258381 /nfs/dbraw/zinc/25/83/81/524258381.db2.gz SCIOWUSFFWYNIG-UHFFFAOYSA-N 0 0 427.432 2.200 50 0 IEAARN COc1ccc(Cn2ccn(CC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)c2=O)cc1 ZINC000020902312 524262143 /nfs/dbraw/zinc/26/21/43/524262143.db2.gz FBHSRLFVDXEEHW-UHFFFAOYSA-N 0 0 429.860 2.368 50 0 IEAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCCN3CCOCC3)c2C)n1 ZINC000020601779 524275253 /nfs/dbraw/zinc/27/52/53/524275253.db2.gz FPZIUXIVFRCPDS-UHFFFAOYSA-N 0 0 436.516 2.098 50 0 IEAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)C)C3)CC2)c(C)c1 ZINC000022894651 524317853 /nfs/dbraw/zinc/31/78/53/524317853.db2.gz YTSSUHLFAAYULF-HXUWFJFHSA-N 0 0 449.617 2.339 50 0 IEAARN COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCCOC(C)=O ZINC000002956974 524339793 /nfs/dbraw/zinc/33/97/93/524339793.db2.gz LNPASAMMBXDZIP-PDGQHHTCSA-N 0 0 440.452 2.264 50 0 IEAARN Cc1cc(C)c2c(N)c(C(=O)NN3CC(=O)N(c4ccc(F)cc4)CC3=O)sc2n1 ZINC000001036554 524341750 /nfs/dbraw/zinc/34/17/50/524341750.db2.gz ACLJVMZOHBBDBP-UHFFFAOYSA-N 0 0 427.461 2.155 50 0 IEAARN COc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000012772634 524386210 /nfs/dbraw/zinc/38/62/10/524386210.db2.gz SMESEJYPPXQOCE-UHFFFAOYSA-N 0 0 437.949 2.466 50 0 IEAARN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 ZINC000020613991 524417624 /nfs/dbraw/zinc/41/76/24/524417624.db2.gz XOLAXRCLLNCPQR-LJQANCHMSA-N 0 0 425.485 2.160 50 0 IEAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(C)c4nc5ccccc5nc43)CC2=O)cc1OC ZINC000012913641 524442306 /nfs/dbraw/zinc/44/23/06/524442306.db2.gz BPZFBTRHFIRPSZ-HNNXBMFYSA-N 0 0 447.495 2.483 50 0 IEAARN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(OC)c1 ZINC000020735187 524455550 /nfs/dbraw/zinc/45/55/50/524455550.db2.gz RNMQQKLKWQYIAO-UHFFFAOYSA-N 0 0 436.468 2.108 50 0 IEAARN COc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000012602714 524461892 /nfs/dbraw/zinc/46/18/92/524461892.db2.gz VQNVTPGWQNNRQK-UHFFFAOYSA-N 0 0 430.530 2.081 50 0 IEAARN COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021887899 524462246 /nfs/dbraw/zinc/46/22/46/524462246.db2.gz FVUDOANCCZCVNA-UHFFFAOYSA-N 0 0 445.541 2.345 50 0 IEAARN COc1ccccc1CNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000012662126 524473595 /nfs/dbraw/zinc/47/35/95/524473595.db2.gz MGJHQAFABMJJNB-NYHFZMIOSA-N 0 0 440.452 2.189 50 0 biogenic IEAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 ZINC000020994124 524473724 /nfs/dbraw/zinc/47/37/24/524473724.db2.gz RNABWUNNYZYWEX-UHFFFAOYSA-N 0 0 431.470 2.169 50 0 IEAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000021111846 524480403 /nfs/dbraw/zinc/48/04/03/524480403.db2.gz LHNOSINMMSXOQY-UHFFFAOYSA-N 0 0 443.525 2.301 50 0 IEAARN COc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C ZINC000012689217 524484708 /nfs/dbraw/zinc/48/47/08/524484708.db2.gz IDZNVLWZGKYUPF-HNNXBMFYSA-N 0 0 431.514 2.475 50 0 IEAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccc(C)cc3)S2(=O)=O)cc1OC ZINC000021531406 524492148 /nfs/dbraw/zinc/49/21/48/524492148.db2.gz ZZMVCYZHSJJGJT-UHFFFAOYSA-N 0 0 433.530 2.403 50 0 IEAARN COc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000012685545 524504524 /nfs/dbraw/zinc/50/45/24/524504524.db2.gz RNDJEQXKRRXOIQ-UHFFFAOYSA-N 0 0 446.525 2.222 50 0 IEAARN COc1ccc(NC(=O)CSc2nncs2)cc1S(=O)(=O)N1CCCCC1 ZINC000012643697 524517595 /nfs/dbraw/zinc/51/75/95/524517595.db2.gz AZRKPBLIDRDGFS-UHFFFAOYSA-N 0 0 428.561 2.452 50 0 IEAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2cccc(Cl)c2)cc1 ZINC000021529032 524545970 /nfs/dbraw/zinc/54/59/70/524545970.db2.gz WDQUWHDOUBMPMM-OAQYLSRUSA-N 0 0 449.960 2.332 50 0 IEAARN Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3)CC2)c1 ZINC000015842774 524550629 /nfs/dbraw/zinc/55/06/29/524550629.db2.gz ZVPIGPAAFMERRM-QGZVFWFLSA-N 0 0 427.526 2.270 50 0 IEAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000021529112 524553885 /nfs/dbraw/zinc/55/38/85/524553885.db2.gz QTRHBZDAONCPJR-QHCPKHFHSA-N 0 0 443.569 2.295 50 0 IEAARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C[C@H](C)O1 ZINC000021063318 524555622 /nfs/dbraw/zinc/55/56/22/524555622.db2.gz WWIMFZOAJZVSQU-KBPBESRZSA-N 0 0 443.997 2.398 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)o1 ZINC000021875613 524556019 /nfs/dbraw/zinc/55/60/19/524556019.db2.gz HHOPFFBHNFRYES-QHCPKHFHSA-N 0 0 441.532 2.398 50 0 IEAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)c1C ZINC000035405383 524558553 /nfs/dbraw/zinc/55/85/53/524558553.db2.gz MDJRHHGPWSAAEY-UHFFFAOYSA-N 0 0 449.598 2.348 50 0 IEAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3ccc(C)cc3)n2)CC1 ZINC000035375368 524564036 /nfs/dbraw/zinc/56/40/36/524564036.db2.gz UOHAYOOXROFKOQ-UHFFFAOYSA-N 0 0 447.539 2.203 50 0 IEAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 ZINC000012389007 524590374 /nfs/dbraw/zinc/59/03/74/524590374.db2.gz QAABLNFGVUYOKW-GOSISDBHSA-N 0 0 445.479 2.406 50 0 IEAARN COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012887572 524591669 /nfs/dbraw/zinc/59/16/69/524591669.db2.gz WNWPHNCKOAKCSR-UHFFFAOYSA-N 0 0 429.542 2.129 50 0 IEAARN COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NC2CC2)cc1OC ZINC000012539433 524596635 /nfs/dbraw/zinc/59/66/35/524596635.db2.gz QZZFKYORGSSQER-UHFFFAOYSA-N 0 0 428.441 2.157 50 0 IEAARN COc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035449198 524622651 /nfs/dbraw/zinc/62/26/51/524622651.db2.gz NMASEYODUDRHHM-INIZCTEOSA-N 0 0 445.497 2.126 50 0 IEAARN COc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035449196 524623662 /nfs/dbraw/zinc/62/36/62/524623662.db2.gz NMASEYODUDRHHM-MRXNPFEDSA-N 0 0 445.497 2.126 50 0 IEAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 ZINC000035286656 524646427 /nfs/dbraw/zinc/64/64/27/524646427.db2.gz FBBQHZJXMKHZFT-UHFFFAOYSA-N 0 0 436.512 2.440 50 0 IEAARN COc1ccc(NC(=O)c2cnc(SCC(=O)Nc3cc(C)on3)n(C)c2=O)cc1 ZINC000012236903 524650262 /nfs/dbraw/zinc/65/02/62/524650262.db2.gz VNJMUHJSGYEGDR-UHFFFAOYSA-N 0 0 429.458 2.068 50 0 IEAARN COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NC(C)C)C3)s2)cc1 ZINC000033263489 524656578 /nfs/dbraw/zinc/65/65/78/524656578.db2.gz SXJLUWNRVMIXFG-ZDUSSCGKSA-N 0 0 431.518 2.176 50 0 IEAARN COc1ccccc1[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1nccn1C ZINC000012629256 524736044 /nfs/dbraw/zinc/73/60/44/524736044.db2.gz HTEIXWGRFQLVCC-LJQANCHMSA-N 0 0 439.516 2.279 50 0 IEAARN COc1ccccc1[C@]1(CC(=O)N(C)Cc2nonc2C)CC(=O)N(C2CCCC2)C1=O ZINC000014888840 524820858 /nfs/dbraw/zinc/82/08/58/524820858.db2.gz RYDKMXCSBJYWGA-QHCPKHFHSA-N 0 0 440.500 2.375 50 0 IEAARN COc1ccc(OC)c(NC(=O)CN2CCCN(Cc3ccc(C)cc3)S2(=O)=O)c1 ZINC000021531400 524849464 /nfs/dbraw/zinc/84/94/64/524849464.db2.gz MKEKGORQPWCAQC-UHFFFAOYSA-N 0 0 433.530 2.403 50 0 IEAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)N1CCCc2ccccc21 ZINC000015824129 524901662 /nfs/dbraw/zinc/90/16/62/524901662.db2.gz NVXPYCFYVXHVHC-UHFFFAOYSA-N 0 0 426.502 2.264 50 0 IEAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1Cl ZINC000021528789 524920005 /nfs/dbraw/zinc/92/00/05/524920005.db2.gz CBMUOZZWNZWPGJ-OAQYLSRUSA-N 0 0 449.960 2.332 50 0 IEAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCC2)cc1Cl ZINC000021869959 524920508 /nfs/dbraw/zinc/92/05/08/524920508.db2.gz SVVCGTKPXNYVHP-HXUWFJFHSA-N 0 0 441.981 2.464 50 0 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O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 ZINC000011613198 557209318 /nfs/dbraw/zinc/20/93/18/557209318.db2.gz WSTYJXKGYOMNMP-UHFFFAOYSA-N 0 0 436.449 2.035 50 0 IEAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)cc1 ZINC000025426639 557209353 /nfs/dbraw/zinc/20/93/53/557209353.db2.gz OTZPKGUDIUGFAZ-UHFFFAOYSA-N 0 0 428.514 2.177 50 0 IEAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n3c2CCCC3)no1 ZINC000169763882 557211219 /nfs/dbraw/zinc/21/12/19/557211219.db2.gz FMNJHOXWJGTEFW-UHFFFAOYSA-N 0 0 449.389 2.362 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1 ZINC000025463670 557211390 /nfs/dbraw/zinc/21/13/90/557211390.db2.gz XILPKXKYJPWLPW-UHFFFAOYSA-N 0 0 432.502 2.094 50 0 IEAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000011615685 557211975 /nfs/dbraw/zinc/21/19/75/557211975.db2.gz JZRVDWZSTDAPRC-UHFFFAOYSA-N 0 0 430.486 2.252 50 0 IEAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000101011122 557213297 /nfs/dbraw/zinc/21/32/97/557213297.db2.gz YDSJLYPYRCQVCT-GASCZTMLSA-N 0 0 439.468 2.019 50 0 IEAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCO)CC2)c(OC)c1 ZINC000025638005 557220298 /nfs/dbraw/zinc/22/02/98/557220298.db2.gz QKMYVXWTFGSSIA-UHFFFAOYSA-N 0 0 436.512 2.307 50 0 IEAARN C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000025703802 557222633 /nfs/dbraw/zinc/22/26/33/557222633.db2.gz FHHNYLFZGZLPJQ-STQMWFEESA-N 0 0 432.502 2.095 50 0 IEAARN COc1ccc(OC)c(CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C2CC2)c1 ZINC000025809836 557227434 /nfs/dbraw/zinc/22/74/34/557227434.db2.gz OCKBVWIWQCWDLP-UHFFFAOYSA-N 0 0 436.468 2.242 50 0 IEAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1F ZINC000011463454 557229527 /nfs/dbraw/zinc/22/95/27/557229527.db2.gz OHZQAFGAENUZSZ-UHFFFAOYSA-N 0 0 439.490 2.283 50 0 IEAARN CCCCOC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000072303212 557229746 /nfs/dbraw/zinc/22/97/46/557229746.db2.gz 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COc1ccc([C@H](O)Cn2cnc(C(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000583649438 557240334 /nfs/dbraw/zinc/24/03/34/557240334.db2.gz NXGJLSWGDRGHAR-HXUWFJFHSA-N 0 0 425.464 2.122 50 0 IEAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000011010230 557242601 /nfs/dbraw/zinc/24/26/01/557242601.db2.gz RVYXBTGQWUWOHE-JOCHJYFZSA-N 0 0 443.525 2.448 50 0 IEAARN COc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)coc2c1 ZINC000018151354 557243476 /nfs/dbraw/zinc/24/34/76/557243476.db2.gz NVRPIOIRTSUOHN-UHFFFAOYSA-N 0 0 444.509 2.321 50 0 IEAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000018157098 557244598 /nfs/dbraw/zinc/24/45/98/557244598.db2.gz QKZKQITVNQDCKY-UHFFFAOYSA-N 0 0 434.514 2.355 50 0 IEAARN CCc1ncnc(O[C@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)c1F ZINC000390828514 557245540 /nfs/dbraw/zinc/24/55/40/557245540.db2.gz RNQAAOQFNBNNET-NSHDSACASA-N 0 0 429.420 2.468 50 0 IEAARN COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604404036 557246534 /nfs/dbraw/zinc/24/65/34/557246534.db2.gz IPBYUCOBJAUQQC-KRWDZBQOSA-N 0 0 439.468 2.294 50 0 biogenic IEAARN COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604404037 557246660 /nfs/dbraw/zinc/24/66/60/557246660.db2.gz IPBYUCOBJAUQQC-QGZVFWFLSA-N 0 0 439.468 2.294 50 0 biogenic IEAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ncc[nH]3)[C@H]21 ZINC000604404929 557248121 /nfs/dbraw/zinc/24/81/21/557248121.db2.gz JLRVTDUHKASOJZ-IBGZPJMESA-N 0 0 433.424 2.180 50 0 biogenic IEAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000018229531 557253240 /nfs/dbraw/zinc/25/32/40/557253240.db2.gz WONZSEXKXQZXQR-UHFFFAOYSA-N 0 0 433.408 2.197 50 0 IEAARN Cc1cc(=O)c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)nn1-c1ccc(Cl)cc1 ZINC000018230276 557253368 /nfs/dbraw/zinc/25/33/68/557253368.db2.gz LVFRPWNNKHBLEU-UHFFFAOYSA-N 0 0 429.864 2.094 50 0 IEAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1-c1ccccc1 ZINC000027085823 557256651 /nfs/dbraw/zinc/25/66/51/557256651.db2.gz FSLDLGGEPRTSEQ-UHFFFAOYSA-N 0 0 428.489 2.467 50 0 IEAARN CCOC(=O)c1ccc2c(c1)sc(=NC(=O)CS(=O)(=O)Cc1ccccc1)n2C ZINC000101142311 557262067 /nfs/dbraw/zinc/26/20/67/557262067.db2.gz KNLHOVZXJLJRDI-QZQOTICOSA-N 0 0 432.523 2.459 50 0 IEAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000027538870 557264419 /nfs/dbraw/zinc/26/44/19/557264419.db2.gz FFOCXXRQYFKYBM-VLIAUNLRSA-N 0 0 431.439 2.276 50 0 IEAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(CCC(N)=O)Cc1ccccc1 ZINC000027547777 557265123 /nfs/dbraw/zinc/26/51/23/557265123.db2.gz GUWNVXUJALUMQU-UHFFFAOYSA-N 0 0 443.573 2.184 50 0 IEAARN CCNC(=S)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100578120 557265327 /nfs/dbraw/zinc/26/53/27/557265327.db2.gz VVUUASINWDTKDF-KRWDZBQOSA-N 0 0 441.509 2.452 50 0 IEAARN CNC(=S)N(CCc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100577987 557265410 /nfs/dbraw/zinc/26/54/10/557265410.db2.gz ZYYAETIDNSTTDD-LJQANCHMSA-N 0 0 427.526 2.385 50 0 IEAARN CCCCn1c(CN2CCN(Cc3cc(C)no3)CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000027562962 557265548 /nfs/dbraw/zinc/26/55/48/557265548.db2.gz ALHXUOXNBRZTLI-UHFFFAOYSA-N 0 0 446.577 2.098 50 0 IEAARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000027663069 557269225 /nfs/dbraw/zinc/26/92/25/557269225.db2.gz JUEFBNRAYVWJHW-CQSZACIVSA-N 0 0 448.566 2.480 50 0 IEAARN COc1ccc(OC)c(N(CC(=O)N[C@@H]2CCCC[C@H]2O)S(=O)(=O)c2ccccc2)c1 ZINC000000829270 557272372 /nfs/dbraw/zinc/27/23/72/557272372.db2.gz VKBYMAUYWIQTJK-UYAOXDASSA-N 0 0 448.541 2.319 50 0 IEAARN O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000101412372 557284355 /nfs/dbraw/zinc/28/43/55/557284355.db2.gz RISYGLCKDWBNRU-UHFFFAOYSA-N 0 0 441.528 2.378 50 0 IEAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O ZINC000101412899 557284489 /nfs/dbraw/zinc/28/44/89/557284489.db2.gz AMKJDQDFZJLNST-KRWDZBQOSA-N 0 0 428.441 2.410 50 0 IEAARN COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1O ZINC000101465540 557285102 /nfs/dbraw/zinc/28/51/02/557285102.db2.gz NIQRVOMRICNZMP-ZDUSSCGKSA-N 0 0 428.832 2.038 50 0 IEAARN COc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 ZINC000011665789 557292282 /nfs/dbraw/zinc/29/22/82/557292282.db2.gz DXTAGMMBTBWOPN-UHFFFAOYSA-N 0 0 429.484 2.490 50 0 IEAARN CN(C)S(=O)(=O)c1cc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl ZINC000101676822 557293378 /nfs/dbraw/zinc/29/33/78/557293378.db2.gz ZIGGQMZOXKWPJJ-HNNXBMFYSA-N 0 0 425.869 2.473 50 0 IEAARN COc1ccc(CCNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000101700155 557293895 /nfs/dbraw/zinc/29/38/95/557293895.db2.gz PFTRSNSZVWEVBH-UHFFFAOYSA-N 0 0 439.487 2.420 50 0 IEAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(=O)OC)cc4)ncn3n2)cc1 ZINC000011666428 557299706 /nfs/dbraw/zinc/29/97/06/557299706.db2.gz HZMPRSIQORAIJZ-UHFFFAOYSA-N 0 0 447.451 2.382 50 0 IEAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000014093341 557302329 /nfs/dbraw/zinc/30/23/29/557302329.db2.gz DRBIRAQRLYWXHQ-CYBMUJFWSA-N 0 0 436.490 2.053 50 0 IEAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014094087 557302344 /nfs/dbraw/zinc/30/23/44/557302344.db2.gz BXQWHULSOBYBCA-UHFFFAOYSA-N 0 0 446.504 2.397 50 0 IEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(Cc2ccc(F)cc2)CC1 ZINC000023325885 557309417 /nfs/dbraw/zinc/30/94/17/557309417.db2.gz SPJNJIVGCCELKO-UHFFFAOYSA-N 0 0 426.496 2.390 50 0 IEAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc21 ZINC000102133937 557313309 /nfs/dbraw/zinc/31/33/09/557313309.db2.gz XJQVXMUOEHUFJO-JVPBZIDWSA-N 0 0 438.480 2.051 50 0 IEAARN CS(=O)(=O)N1CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000032490617 557313400 /nfs/dbraw/zinc/31/34/00/557313400.db2.gz GEPPYNVHEWPJQG-FQEVSTJZSA-N 0 0 440.512 2.009 50 0 IEAARN C[C@H](C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102237912 557315385 /nfs/dbraw/zinc/31/53/85/557315385.db2.gz RGELPPVZRYDVAP-UPJWGTAASA-N 0 0 443.525 2.470 50 0 IEAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2C)c1C(=O)N1CCCC1 ZINC000032996415 557322237 /nfs/dbraw/zinc/32/22/37/557322237.db2.gz MOPJLJVDDFVIRJ-UHFFFAOYSA-N 0 0 446.573 2.161 50 0 IEAARN COc1ccc(-n2nc(SCC(=O)NCc3ccc4c(c3)OCO4)ccc2=O)cc1 ZINC000033128378 557324965 /nfs/dbraw/zinc/32/49/65/557324965.db2.gz GENZANIRMIULKD-UHFFFAOYSA-N 0 0 425.466 2.378 50 0 IEAARN CC(C)CCN(CC(=O)N1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014246799 557329373 /nfs/dbraw/zinc/32/93/73/557329373.db2.gz ZWLXQFDQJVJPIF-UHFFFAOYSA-N 0 0 427.549 2.032 50 0 IEAARN Cc1ccc(NC(=O)CN2CC[C@H]2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000072311985 557333298 /nfs/dbraw/zinc/33/32/98/557333298.db2.gz WWEKGNCNCJCKJB-NRFANRHFSA-N 0 0 443.569 2.271 50 0 IEAARN Cn1c2ccccc2n(CC(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1=O ZINC000072293374 557346411 /nfs/dbraw/zinc/34/64/11/557346411.db2.gz FIBPSQBJQDHHLU-FQEVSTJZSA-N 0 0 434.496 2.295 50 0 IEAARN COC(=O)c1sc(NC(=O)CSc2ncnc3c2cnn3C)c(C(=O)OC)c1C ZINC000011677875 557350933 /nfs/dbraw/zinc/35/09/33/557350933.db2.gz PMIJZMPICVEXAW-UHFFFAOYSA-N 0 0 435.487 2.037 50 0 IEAARN COc1ccc(-c2nnc(SCc3cc(=O)n4nc[n-]c4n3)n2C[C@@H]2CCCO2)cc1 ZINC000102807705 557387169 /nfs/dbraw/zinc/38/71/69/557387169.db2.gz DCTPDWIIWXSRQB-INIZCTEOSA-N 0 0 439.501 2.156 50 0 IEAARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000023929972 557387769 /nfs/dbraw/zinc/38/77/69/557387769.db2.gz NHQUXFNIOQSDME-MDZDMXLPSA-N 0 0 425.508 2.064 50 0 IEAARN COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4cccs4)nn32)cc1 ZINC000011694565 557392534 /nfs/dbraw/zinc/39/25/34/557392534.db2.gz SSJHKLBIVPWEMW-UHFFFAOYSA-N 0 0 431.499 2.219 50 0 IEAARN COc1ccc(C2(CNC(=O)CCCn3nnc4ccccc4c3=O)CCOCC2)cc1 ZINC000072403902 557395726 /nfs/dbraw/zinc/39/57/26/557395726.db2.gz BGOAEQOEVIGNSP-UHFFFAOYSA-N 0 0 436.512 2.445 50 0 IEAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCCOc3ccccc3)CC2)cc1 ZINC000024111770 557396347 /nfs/dbraw/zinc/39/63/47/557396347.db2.gz QDSTVDYYZIIVSR-UHFFFAOYSA-N 0 0 445.541 2.370 50 0 IEAARN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)c3ccccc3)n2C)cc1 ZINC000013955888 557397710 /nfs/dbraw/zinc/39/77/10/557397710.db2.gz XIXRKKINYJZTHY-QGZVFWFLSA-N 0 0 426.498 2.262 50 0 IEAARN CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000408514319 557411657 /nfs/dbraw/zinc/41/16/57/557411657.db2.gz JVROZVFSHLWXFB-MRXNPFEDSA-N 0 0 434.518 2.245 50 0 IEAARN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2C(=O)N[C@]3(CCOC3)C2=O)C1=O ZINC000408517003 557411968 /nfs/dbraw/zinc/41/19/68/557411968.db2.gz KNAAVODTQGMXKZ-KUHUBIRLSA-N 0 0 436.306 2.272 50 0 IEAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1 ZINC000408525274 557414210 /nfs/dbraw/zinc/41/42/10/557414210.db2.gz TVFUNQVNPMJEJN-IBGZPJMESA-N 0 0 431.558 2.040 50 0 IEAARN O=C(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000033584903 557415041 /nfs/dbraw/zinc/41/50/41/557415041.db2.gz OAHKVNRPNDSHDV-FYQHACEVSA-N 0 0 426.903 2.193 50 0 IEAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000103100799 557420284 /nfs/dbraw/zinc/42/02/84/557420284.db2.gz XOTDPQVZEWJYPP-HUUCEWRRSA-N 0 0 428.514 2.247 50 0 IEAARN COc1ccc(C(=O)O[C@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000104010777 557449446 /nfs/dbraw/zinc/44/94/46/557449446.db2.gz JLVDBXVFMWOTQJ-HZPDHXFCSA-N 0 0 438.546 2.426 50 0 IEAARN O=C(Nc1ccn([C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)n1)c1ccccc1 ZINC000104191111 557452893 /nfs/dbraw/zinc/45/28/93/557452893.db2.gz FRCSORXRCWKCJL-GGPKGHCWSA-N 0 0 435.436 2.001 50 0 IEAARN COC[C@H](C)N1C(=S)N[C@H](c2ccccc2F)[C@H](C(=O)Nc2cc(C)on2)[C@@]1(C)O ZINC000104259221 557453722 /nfs/dbraw/zinc/45/37/22/557453722.db2.gz VETCPRBLAXYGAD-KUVYRUGBSA-N 0 0 436.509 2.352 50 0 IEAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000104940699 557466348 /nfs/dbraw/zinc/46/63/48/557466348.db2.gz BXYAHRWNMUEPHR-HTAPYJJXSA-N 0 0 442.560 2.451 50 0 IEAARN CCCCN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000014849500 557495423 /nfs/dbraw/zinc/49/54/23/557495423.db2.gz GFGVRMZFUKKJSZ-INIZCTEOSA-N 0 0 441.532 2.253 50 0 IEAARN Cn1ncc2c1ncnc2N1CCN(CC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000014856382 557497321 /nfs/dbraw/zinc/49/73/21/557497321.db2.gz SNJYJRSMFIGXEL-UHFFFAOYSA-N 0 0 434.331 2.109 50 0 IEAARN CCN(CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C ZINC000046847587 557513030 /nfs/dbraw/zinc/51/30/30/557513030.db2.gz NQOYCGIIEVUGPL-UHFFFAOYSA-N 0 0 431.558 2.272 50 0 IEAARN CCOC(=O)CNC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(C)cc2)CC1 ZINC000047147654 557517752 /nfs/dbraw/zinc/51/77/52/557517752.db2.gz OPZMIKHCWNTIBT-UHFFFAOYSA-N 0 0 436.516 2.119 50 0 IEAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3cc(C)on3)ccc21 ZINC000012029129 557524650 /nfs/dbraw/zinc/52/46/50/557524650.db2.gz KCHSYLPBYZBKNE-SFHVURJKSA-N 0 0 432.502 2.074 50 0 IEAARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc4c(c3)OCO4)c2=O)c1 ZINC000012072253 557527105 /nfs/dbraw/zinc/52/71/05/557527105.db2.gz NMLUMHNFWJRWJK-UHFFFAOYSA-N 0 0 431.452 2.108 50 0 IEAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N(CC)CC)C3)c(C)cc2NC1=O ZINC000106304491 557528031 /nfs/dbraw/zinc/52/80/31/557528031.db2.gz KYHFGHLWSHGIQQ-WBVHZDCISA-N 0 0 437.562 2.374 50 0 IEAARN CC[C@@H](C)NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000106348594 557528453 /nfs/dbraw/zinc/52/84/53/557528453.db2.gz HPWSSFBEMBGMMF-APWZRJJASA-N 0 0 448.589 2.091 50 0 IEAARN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000106755222 557532183 /nfs/dbraw/zinc/53/21/83/557532183.db2.gz CCDNRLSVCGMYOB-GAJHUEQPSA-N 0 0 432.524 2.105 50 0 IEAARN O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1cc(F)ccc1F ZINC000044837126 557538789 /nfs/dbraw/zinc/53/87/89/557538789.db2.gz CPYCNZSYFRJMAL-UHFFFAOYSA-N 0 0 432.337 2.231 50 0 IEAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000108848557 557544241 /nfs/dbraw/zinc/54/42/41/557544241.db2.gz PSAVKVASRZKACH-VLXJIEOASA-N 0 0 447.454 2.220 50 0 IEAARN CCCNC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)Nc2ccccc2)c1=O ZINC000045922216 557547838 /nfs/dbraw/zinc/54/78/38/557547838.db2.gz PYMPJUCQWZRLPK-UHFFFAOYSA-N 0 0 436.512 2.498 50 0 IEAARN COC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 ZINC000045970158 557557498 /nfs/dbraw/zinc/55/74/98/557557498.db2.gz QXPINCWANUAJMN-UHFFFAOYSA-N 0 0 427.486 2.269 50 0 IEAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000045970168 557557960 /nfs/dbraw/zinc/55/79/60/557557960.db2.gz AHXUASJTIRKMMS-UHFFFAOYSA-N 0 0 427.486 2.253 50 0 IEAARN COc1cccc2c1N(CC(=O)NN1C(=O)N[C@@](C)(CCc3ccccc3)C1=O)CCC2 ZINC000040072627 557685026 /nfs/dbraw/zinc/68/50/26/557685026.db2.gz FITICBOAOJPNIR-DEOSSOPVSA-N 0 0 436.512 2.422 50 0 IEAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000225446366 557723726 /nfs/dbraw/zinc/72/37/26/557723726.db2.gz RMFBDCSESGAGDD-CYFREDJKSA-N 0 0 440.519 2.450 50 0 IEAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000225446395 557723782 /nfs/dbraw/zinc/72/37/82/557723782.db2.gz RMFBDCSESGAGDD-NTKDMRAZSA-N 0 0 440.519 2.450 50 0 IEAARN COc1ccc(OC)c(CCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 ZINC000029081600 557732638 /nfs/dbraw/zinc/73/26/38/557732638.db2.gz YVLZBCBOZPZEMS-QFIPXVFZSA-N 0 0 440.496 2.147 50 0 IEAARN CS(=O)(=O)CC[C@H](c1nc(Cc2ccccc2)no1)N1C(=O)c2ccccc2C1=O ZINC000225525898 557735970 /nfs/dbraw/zinc/73/59/70/557735970.db2.gz AYDWDOLUXGWNFJ-QGZVFWFLSA-N 0 0 425.466 2.432 50 0 IEAARN C[C@@]1(c2cnccn2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1=O ZINC000225793706 557778311 /nfs/dbraw/zinc/77/83/11/557778311.db2.gz WVPMCJDEVDMARE-NRFANRHFSA-N 0 0 437.456 2.314 50 0 IEAARN Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2C)cc1 ZINC000000850883 557830870 /nfs/dbraw/zinc/83/08/70/557830870.db2.gz FGRAEEHAXXCDCT-SFHVURJKSA-N 0 0 449.511 2.092 50 0 IEAARN CCOc1ccccc1N1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](C)C[C@H]32)C1=O ZINC000229900695 557833531 /nfs/dbraw/zinc/83/35/31/557833531.db2.gz RJACSUWJZCCQGC-RDPSFJRHSA-N 0 0 434.496 2.031 50 0 IEAARN COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1C ZINC000018535860 557834225 /nfs/dbraw/zinc/83/42/25/557834225.db2.gz QNHBXHFCNFUIMU-UHFFFAOYSA-N 0 0 430.457 2.177 50 0 IEAARN COCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1COc2ccccc2O1 ZINC000002971662 557841444 /nfs/dbraw/zinc/84/14/44/557841444.db2.gz RCRCKXAGGQDKDF-HNNXBMFYSA-N 0 0 441.509 2.091 50 0 IEAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000239432742 557844712 /nfs/dbraw/zinc/84/47/12/557844712.db2.gz WGRLPZUHNOHHBF-GCOBIYGJSA-N 0 0 426.472 2.405 50 0 IEAARN CCOC(=O)c1cn(CC(=O)NC(=O)NC2CCCCC2)c2cc(F)c(OC)cc2c1=O ZINC000239667921 557845066 /nfs/dbraw/zinc/84/50/66/557845066.db2.gz BSAHDIQXGLDXJB-UHFFFAOYSA-N 0 0 447.463 2.484 50 0 IEAARN CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)OC ZINC000241338568 557846387 /nfs/dbraw/zinc/84/63/87/557846387.db2.gz MBWSBTIPFMJTJX-CVEARBPZSA-N 0 0 441.322 2.277 50 0 IEAARN CCC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC ZINC000241338571 557846402 /nfs/dbraw/zinc/84/64/02/557846402.db2.gz MBWSBTIPFMJTJX-JKSUJKDBSA-N 0 0 441.322 2.277 50 0 IEAARN COC(=O)C1C(C)=Nc2sc(C(N)=O)c(N)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009302617 560211170 /nfs/dbraw/zinc/21/11/70/560211170.db2.gz JOTBQNZRZAUSBB-CYBMUJFWSA-N 0 0 433.486 2.459 50 0 biogenic,in-vitro IEAARN O=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000786481 562919148 /nfs/dbraw/zinc/91/91/48/562919148.db2.gz DEVYAXBKQQLYGQ-UHFFFAOYSA-N 0 0 439.331 2.400 50 0 in-vivo IEAARN CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](CO)NC(=O)c1ccccc1 ZINC000001076218 562920297 /nfs/dbraw/zinc/92/02/97/562920297.db2.gz UGBBHIOKRMWMMS-SFHVURJKSA-N 0 0 439.541 2.170 50 0 IEAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N ZINC000002356396 562927130 /nfs/dbraw/zinc/92/71/30/562927130.db2.gz PRSYXUZKAIVKIN-UHFFFAOYSA-N 0 0 430.465 2.496 50 0 IEAARN O=C(COc1ncnc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002661634 562929651 /nfs/dbraw/zinc/92/96/51/562929651.db2.gz TUPMNZNRCHEOJN-UHFFFAOYSA-N 0 0 446.916 2.195 50 0 IEAARN CN(CC(=O)OCC(=O)Nc1cccnc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002664763 562929688 /nfs/dbraw/zinc/92/96/88/562929688.db2.gz BXFUEOIUXDZTKA-UHFFFAOYSA-N 0 0 432.285 2.191 50 0 IEAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC[C@H]2CCCO2)CCS3)cc1 ZINC000002719865 562929927 /nfs/dbraw/zinc/92/99/27/562929927.db2.gz SIGMUHNPSBJXJV-OAHLLOKOSA-N 0 0 433.555 2.277 50 0 IEAARN COc1cc(-c2cn(S(=O)(=O)c3cccc4nsnc43)nc2N)cc(OC)c1OC ZINC000002870686 562930339 /nfs/dbraw/zinc/93/03/39/562930339.db2.gz XLUPUMSSTNDXAY-UHFFFAOYSA-N 0 0 447.498 2.400 50 0 IEAARN O=C(CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1F ZINC000002924724 562930557 /nfs/dbraw/zinc/93/05/57/562930557.db2.gz PRJXGGWXYZQWAX-UHFFFAOYSA-N 0 0 432.452 2.370 50 0 IEAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O ZINC000002937432 562930779 /nfs/dbraw/zinc/93/07/79/562930779.db2.gz KYXCVHXTDZDUPM-UHFFFAOYSA-N 0 0 428.470 2.274 50 0 aggregator IEAARN COc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC ZINC000002952327 562931092 /nfs/dbraw/zinc/93/10/92/562931092.db2.gz QRLQVSVZFCCKHR-UHFFFAOYSA-N 0 0 425.485 2.236 50 0 IEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000003228834 562933027 /nfs/dbraw/zinc/93/30/27/562933027.db2.gz UCBMQRQGVHKGBE-UHFFFAOYSA-N 0 0 446.481 2.088 50 0 IEAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000003236315 562933168 /nfs/dbraw/zinc/93/31/68/562933168.db2.gz VTFUYOUFERQNCM-UHFFFAOYSA-N 0 0 432.498 2.050 50 0 IEAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003297447 562933926 /nfs/dbraw/zinc/93/39/26/562933926.db2.gz ONOBWXKGSPCCHX-UHFFFAOYSA-N 0 0 440.525 2.476 50 0 IEAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000003344773 562934541 /nfs/dbraw/zinc/93/45/41/562934541.db2.gz WGYYMJYMPHFQOW-CVEARBPZSA-N 0 0 443.566 2.238 50 0 IEAARN COc1ccc2c(COC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)cc(=O)oc2c1 ZINC000003438306 562935836 /nfs/dbraw/zinc/93/58/36/562935836.db2.gz FEVLOTAWJAQVBJ-LBPRGKRZSA-N 0 0 435.429 2.351 50 0 IEAARN COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC ZINC000003437277 562935852 /nfs/dbraw/zinc/93/58/52/562935852.db2.gz YUKHYTBCDLCQGA-UHFFFAOYSA-N 0 0 426.922 2.385 50 0 IEAARN Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1 ZINC000003477848 562936225 /nfs/dbraw/zinc/93/62/25/562936225.db2.gz CDGGKLYXDXRFGZ-GOSISDBHSA-N 0 0 440.481 2.465 50 0 IEAARN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000003534428 562936424 /nfs/dbraw/zinc/93/64/24/562936424.db2.gz QCNGKQRBSKMRTD-AWEZNQCLSA-N 0 0 433.505 2.203 50 0 IEAARN CCOC(=O)[C@@H](CC)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004034673 562940901 /nfs/dbraw/zinc/94/09/01/562940901.db2.gz CFAGKETWUDHBQY-CQSZACIVSA-N 0 0 444.513 2.137 50 0 IEAARN O=C(C[C@H]1NC(=O)NC1=O)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000004100243 562941778 /nfs/dbraw/zinc/94/17/78/562941778.db2.gz GFIRRYBPZSBTPG-GOSISDBHSA-N 0 0 426.517 2.379 50 0 IEAARN O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)n1)NC1CCCCC1 ZINC000004144561 562942375 /nfs/dbraw/zinc/94/23/75/562942375.db2.gz PBYDZFCXKMSOAZ-UHFFFAOYSA-N 0 0 445.516 2.293 50 0 IEAARN CCCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@H](CC)N(C)C ZINC000004144622 562942381 /nfs/dbraw/zinc/94/23/81/562942381.db2.gz QRDZBHKGPVQDNL-HZPDHXFCSA-N 0 0 445.655 2.219 50 0 IEAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004198417 562942619 /nfs/dbraw/zinc/94/26/19/562942619.db2.gz OILIWRVQMGSNFW-UHFFFAOYSA-N 0 0 449.583 2.158 50 0 IEAARN O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000006530708 562947119 /nfs/dbraw/zinc/94/71/19/562947119.db2.gz FALJHYMLTKUNGE-UHFFFAOYSA-N 0 0 428.496 2.459 50 0 aggregator IEAARN CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(C)cc3)[C@@H]4C2=O)CC1 ZINC000006530802 562947173 /nfs/dbraw/zinc/94/71/73/562947173.db2.gz SZDWVAVBKCXDIT-ZBNTXBBCSA-N 0 0 439.512 2.336 50 0 biogenic IEAARN CCOc1ccc(-n2nnc3c2ncn(CC(=O)N2CCCc4ccccc42)c3=O)cc1 ZINC000006559310 562947354 /nfs/dbraw/zinc/94/73/54/562947354.db2.gz JHXHUBRDXYJIRT-UHFFFAOYSA-N 0 0 430.468 2.355 50 0 IEAARN CCOC(=O)N1CCC(NC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1 ZINC000006577156 562947470 /nfs/dbraw/zinc/94/74/70/562947470.db2.gz XWFBITLPWNSCST-UHFFFAOYSA-N 0 0 449.511 2.119 50 0 aggregator IEAARN CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1 ZINC000006577812 562947864 /nfs/dbraw/zinc/94/78/64/562947864.db2.gz IOMWJODBYIOXCO-UHFFFAOYSA-N 0 0 436.497 2.321 50 0 aggregator IEAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)CC1 ZINC000006577796 562947886 /nfs/dbraw/zinc/94/78/86/562947886.db2.gz NPXLOZYQXNZSHT-UHFFFAOYSA-N 0 0 425.441 2.427 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)CC2)c(C)c1 ZINC000008586376 562950156 /nfs/dbraw/zinc/95/01/56/562950156.db2.gz BEXOXAVTMFDCNE-UHFFFAOYSA-N 0 0 425.510 2.292 50 0 IEAARN COc1cc(NC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)cc(OC)c1OC ZINC000008587772 562950448 /nfs/dbraw/zinc/95/04/48/562950448.db2.gz VGIZYGQUZZAUFF-UHFFFAOYSA-N 0 0 449.460 2.353 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N(C)Cc3ccccc3)cc2C[C@H]1C ZINC000008589441 562951196 /nfs/dbraw/zinc/95/11/96/562951196.db2.gz BIOFWSUMRJLOQC-MRXNPFEDSA-N 0 0 429.542 2.311 50 0 IEAARN COc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1OC ZINC000008594519 562953036 /nfs/dbraw/zinc/95/30/36/562953036.db2.gz YIQCIZZFLFACPO-UHFFFAOYSA-N 0 0 438.484 2.107 50 0 IEAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(OC)cc3)ccc21 ZINC000008595328 562953356 /nfs/dbraw/zinc/95/33/56/562953356.db2.gz NKIOXNGDMXMRDC-UHFFFAOYSA-N 0 0 430.526 2.475 50 0 IEAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCc3ccc(C)cc3)ccc21 ZINC000008596129 562953789 /nfs/dbraw/zinc/95/37/89/562953789.db2.gz KPZVWNUJFZFIJL-UHFFFAOYSA-N 0 0 429.542 2.279 50 0 IEAARN Cc1ccc(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)cc1 ZINC000008598630 562954363 /nfs/dbraw/zinc/95/43/63/562954363.db2.gz DTKVAWAJDUSIFJ-FQEVSTJZSA-N 0 0 445.541 2.102 50 0 IEAARN CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008601238 562955237 /nfs/dbraw/zinc/95/52/37/562955237.db2.gz RMVZYMCOQIYBKK-SFHVURJKSA-N 0 0 442.603 2.147 50 0 IEAARN CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008601237 562955256 /nfs/dbraw/zinc/95/52/56/562955256.db2.gz RMVZYMCOQIYBKK-GOSISDBHSA-N 0 0 442.603 2.147 50 0 IEAARN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000008601466 562955347 /nfs/dbraw/zinc/95/53/47/562955347.db2.gz ZVUOCNUJLQCINL-QGZVFWFLSA-N 0 0 448.522 2.297 50 0 IEAARN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008601572 562955420 /nfs/dbraw/zinc/95/54/20/562955420.db2.gz ZLYLWEMSTXJRDL-GOSISDBHSA-N 0 0 427.526 2.397 50 0 IEAARN COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1C ZINC000008611325 562958502 /nfs/dbraw/zinc/95/85/02/562958502.db2.gz ITGZFGSEUMVLRY-UHFFFAOYSA-N 0 0 441.575 2.475 50 0 IEAARN COc1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc(OC)c1OC ZINC000008619324 562959881 /nfs/dbraw/zinc/95/98/81/562959881.db2.gz HZKMQHVYNPIRQP-UHFFFAOYSA-N 0 0 448.497 2.034 50 0 IEAARN Cc1cc(C)c(NC(=O)CNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)c1 ZINC000008623801 562960007 /nfs/dbraw/zinc/96/00/07/562960007.db2.gz FEKSISURXCLHOQ-RUZDIDTESA-N 0 0 448.523 2.450 50 0 IEAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)c1 ZINC000008685538 562962529 /nfs/dbraw/zinc/96/25/29/562962529.db2.gz MGMYFQQEFNSJHT-IBGZPJMESA-N 0 0 448.497 2.039 50 0 IEAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008878719 562965632 /nfs/dbraw/zinc/96/56/32/562965632.db2.gz OXDIEGFWRGIABJ-UHFFFAOYSA-N 0 0 432.498 2.100 50 0 IEAARN CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008880089 562965669 /nfs/dbraw/zinc/96/56/69/562965669.db2.gz ZDIXOVRALFTLGK-UHFFFAOYSA-N 0 0 433.486 2.060 50 0 IEAARN O=C(CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1)N1CCCC1 ZINC000008908536 562965880 /nfs/dbraw/zinc/96/58/80/562965880.db2.gz HCCCKMDBSHPGIY-GFCCVEGCSA-N 0 0 449.533 2.383 50 0 IEAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(O)CC2)s1 ZINC000008912467 562965987 /nfs/dbraw/zinc/96/59/87/562965987.db2.gz VZVMZNVLKCHQQK-UHFFFAOYSA-N 0 0 444.600 2.429 50 0 IEAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)s1 ZINC000008912431 562966012 /nfs/dbraw/zinc/96/60/12/562966012.db2.gz RETDKFMAZVJRED-UHFFFAOYSA-N 0 0 436.964 2.260 50 0 IEAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)c(OC)c1 ZINC000008933784 562966137 /nfs/dbraw/zinc/96/61/37/562966137.db2.gz GXCPXRTVKZCVND-CYBMUJFWSA-N 0 0 429.502 2.332 50 0 IEAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccncc1 ZINC000008974850 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/nfs/dbraw/zinc/75/76/60/568757660.db2.gz JDEASEYIDOBLLP-AREMUKBSSA-N 0 0 449.551 2.365 50 0 IEAARN O=C(c1cccs1)N1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000299794477 568757679 /nfs/dbraw/zinc/75/76/79/568757679.db2.gz KWNKBUACDJLCKZ-HNNXBMFYSA-N 0 0 425.510 2.486 50 0 IEAARN COC(=O)c1cn(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc2c(=O)[nH]nc1-2 ZINC000263588088 568760955 /nfs/dbraw/zinc/76/09/55/568760955.db2.gz OYDZGIAZYCOLAR-UHFFFAOYSA-N 0 0 435.318 2.460 50 0 IEAARN COc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2ccc(OC)c(OC)c2OC)cc1 ZINC000263588855 568761200 /nfs/dbraw/zinc/76/12/00/568761200.db2.gz ZGDRQAMEHFIGIL-MRXNPFEDSA-N 0 0 441.484 2.336 50 0 IEAARN O=C(CN1CC=C(c2ccccc2)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015412429 568761916 /nfs/dbraw/zinc/76/19/16/568761916.db2.gz MYVPTNUWQSXIHM-UHFFFAOYSA-N 0 0 439.581 2.450 50 0 IEAARN COc1ccc(-c2nn3ccn(Cc4nc(-c5ccccn5)no4)c(=O)c3c2CO)cc1 ZINC000263615020 568775816 /nfs/dbraw/zinc/77/58/16/568775816.db2.gz AEFDPIZCOYMDCP-UHFFFAOYSA-N 0 0 430.424 2.157 50 0 IEAARN COc1ccc(-c2cc(C(=O)N3CCc4nn(Cc5cccnc5)c(=O)cc4C3)[nH]n2)cc1 ZINC000263617018 568777031 /nfs/dbraw/zinc/77/70/31/568777031.db2.gz LRXRSHUMWYMJOJ-UHFFFAOYSA-N 0 0 442.479 2.284 50 0 IEAARN COc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1 ZINC000263618017 568777407 /nfs/dbraw/zinc/77/74/07/568777407.db2.gz QWLLVFXSSUOOGE-NRFANRHFSA-N 0 0 447.495 2.156 50 0 IEAARN Cc1ccc(CNC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1 ZINC000263619237 568778013 /nfs/dbraw/zinc/77/80/13/568778013.db2.gz XPKFUZZLKQFAGY-UHFFFAOYSA-N 0 0 449.496 2.137 50 0 IEAARN COc1c2c(c(NC(=O)Cn3nc(C)c4ccccc4c3=O)c3c1CN(C)CC3)OCO2 ZINC000032124023 568781691 /nfs/dbraw/zinc/78/16/91/568781691.db2.gz BXUHICUBSPPAFP-UHFFFAOYSA-N 0 0 436.468 2.069 50 0 biogenic IEAARN COc1cc(OC)cc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccc4c(c2)OCO4)C3)c1 ZINC000004143914 568781921 /nfs/dbraw/zinc/78/19/21/568781921.db2.gz NWEPSSIXRRGCLX-NRFANRHFSA-N 0 0 437.452 2.425 50 0 IEAARN COC(=O)c1c2n(c(-c3ccc(Br)cc3)c1C(=O)OC)CS(=O)(=O)C2 ZINC000001383391 568784069 /nfs/dbraw/zinc/78/40/69/568784069.db2.gz KVJSCKPIVDENQP-UHFFFAOYSA-N 0 0 428.260 2.377 50 0 IEAARN CCn1cc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)c(C)n1 ZINC000002800556 568789558 /nfs/dbraw/zinc/78/95/58/568789558.db2.gz CHOOOFWUNPYFQN-PBHICJAKSA-N 0 0 436.582 2.014 50 0 IEAARN C[C@H](C(=O)Nc1nn(-c2ncccn2)cc1Br)N1C(=O)c2ccccc2C1=O ZINC000084001939 568789747 /nfs/dbraw/zinc/78/97/47/568789747.db2.gz OVBDWSFZTXJWOY-SNVBAGLBSA-N 0 0 441.245 2.048 50 0 IEAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1cccs1 ZINC000016805441 568793181 /nfs/dbraw/zinc/79/31/81/568793181.db2.gz WUEBHKRIIYNKQH-XEYRCQSKSA-N 0 0 440.546 2.486 50 0 IEAARN COCCCCNC(=O)C[C@]1(C(=O)NCCCCOC)CCN(C(=O)OC(C)(C)C)C1 ZINC000084200012 568796016 /nfs/dbraw/zinc/79/60/16/568796016.db2.gz DYXMMWKHSVMGSQ-JOCHJYFZSA-N 0 0 443.585 2.089 50 0 IEAARN O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000084539394 568798580 /nfs/dbraw/zinc/79/85/80/568798580.db2.gz JYFWHWQSOKHOIN-SFHVURJKSA-N 0 0 443.485 2.172 50 0 IEAARN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2F)s1 ZINC000084525680 568798633 /nfs/dbraw/zinc/79/86/33/568798633.db2.gz KZJGUPXZKRWEAE-QGZVFWFLSA-N 0 0 440.500 2.282 50 0 IEAARN O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000084535710 568798646 /nfs/dbraw/zinc/79/86/46/568798646.db2.gz BIAITOZDKMYQCD-LEWJYISDSA-N 0 0 426.538 2.251 50 0 IEAARN CC(C)CN(C(=O)CN1CCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015634502 568800312 /nfs/dbraw/zinc/80/03/12/568800312.db2.gz RMULIZXUUHZVLQ-UHFFFAOYSA-N 0 0 447.539 2.219 50 0 IEAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCN(C(C)=O)C3)c2)cc1 ZINC000084809376 568801783 /nfs/dbraw/zinc/80/17/83/568801783.db2.gz LPQMVZGNFIZRGL-SFHVURJKSA-N 0 0 431.514 2.237 50 0 IEAARN Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000015680289 568806071 /nfs/dbraw/zinc/80/60/71/568806071.db2.gz ITAYWXDRJVOVFK-OAQYLSRUSA-N 0 0 449.960 2.332 50 0 IEAARN CCCCc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCCO)c4=O)cc1 ZINC000004303848 568812117 /nfs/dbraw/zinc/81/21/17/568812117.db2.gz LXBLOYBVPMJCPN-MRXNPFEDSA-N 0 0 425.533 2.410 50 0 IEAARN C[C@H]1CSc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2NC1=O ZINC000015731119 568814645 /nfs/dbraw/zinc/81/46/45/568814645.db2.gz IHFQGGWGUBQZRN-ZDUSSCGKSA-N 0 0 435.527 2.107 50 0 IEAARN CCCN(CCC)c1nn2c(ncc(C(=O)NCc3ccc4c(c3)OCO4)c2=O)s1 ZINC000015732828 568815461 /nfs/dbraw/zinc/81/54/61/568815461.db2.gz DCDIPNJBXOWGJK-UHFFFAOYSA-N 0 0 429.502 2.436 50 0 IEAARN COc1ccc(CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1OC ZINC000015733738 568816005 /nfs/dbraw/zinc/81/60/05/568816005.db2.gz QIMPBXZFYZINMT-UHFFFAOYSA-N 0 0 435.546 2.406 50 0 IEAARN Cc1cc(C)c(S(=O)(=O)NCCCO)c(C)c1N(C)S(=O)(=O)c1ccccc1 ZINC000012080347 568819684 /nfs/dbraw/zinc/81/96/84/568819684.db2.gz HNBDVCFMHROVLH-UHFFFAOYSA-N 0 0 426.560 2.098 50 0 IEAARN CCOCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(OC)c(Cl)c2)n(C)c1=O ZINC000006089660 568823236 /nfs/dbraw/zinc/82/32/36/568823236.db2.gz XUJXPHIGTLINHO-UHFFFAOYSA-N 0 0 431.880 2.146 50 0 IEAARN COc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015775228 568823295 /nfs/dbraw/zinc/82/32/95/568823295.db2.gz INCYKCZZMZPALU-UHFFFAOYSA-N 0 0 427.476 2.119 50 0 IEAARN CCOC(=O)[C@@H](C)NC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn21 ZINC000015776250 568823827 /nfs/dbraw/zinc/82/38/27/568823827.db2.gz HAQVGYJGMMZEMV-CYBMUJFWSA-N 0 0 430.896 2.390 50 0 IEAARN CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cc(OC)c(OC)cc2OC)C3)CC1 ZINC000015779432 568824712 /nfs/dbraw/zinc/82/47/12/568824712.db2.gz PAIUSLKBIWAAPR-UHFFFAOYSA-N 0 0 427.549 2.203 50 0 IEAARN COc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1OC ZINC000015780549 568825385 /nfs/dbraw/zinc/82/53/85/568825385.db2.gz ZMQLXFNTZLDYSZ-UHFFFAOYSA-N 0 0 426.516 2.353 50 0 IEAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1 ZINC000085642277 568828862 /nfs/dbraw/zinc/82/88/62/568828862.db2.gz GFRFARQJGFGJAY-UHFFFAOYSA-N 0 0 428.470 2.383 50 0 IEAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1 ZINC000085644751 568829560 /nfs/dbraw/zinc/82/95/60/568829560.db2.gz DHLDZGCTSMSIMR-UHFFFAOYSA-N 0 0 427.530 2.312 50 0 IEAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc2=O)cc1C ZINC000085654238 568832368 /nfs/dbraw/zinc/83/23/68/568832368.db2.gz SOHXVBPWJUPGRX-UHFFFAOYSA-N 0 0 442.516 2.499 50 0 IEAARN O=c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1-c1ccccc1 ZINC000085654352 568833502 /nfs/dbraw/zinc/83/35/02/568833502.db2.gz UBYNMZOQLHIEQM-UHFFFAOYSA-N 0 0 432.452 2.022 50 0 IEAARN O=c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1-c1ccccc1 ZINC000085654295 568833536 /nfs/dbraw/zinc/83/35/36/568833536.db2.gz NXUDYPJEOQJLRY-UHFFFAOYSA-N 0 0 430.917 2.397 50 0 IEAARN O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccccc1Cl ZINC000015823721 568840238 /nfs/dbraw/zinc/84/02/38/568840238.db2.gz IJZPUVFEEMPHMT-UHFFFAOYSA-N 0 0 448.976 2.448 50 0 IEAARN OCCC[C@]1(O)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2 ZINC000101142633 568843697 /nfs/dbraw/zinc/84/36/97/568843697.db2.gz RWXZXDLIVMJLEH-MQLGOCQLSA-N 0 0 438.561 2.250 50 0 IEAARN COc1ccc(OC)c(CCNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 ZINC000015843146 568844673 /nfs/dbraw/zinc/84/46/73/568844673.db2.gz IHMWTUVFNKCUJC-UHFFFAOYSA-N 0 0 446.525 2.379 50 0 biogenic IEAARN COc1cc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000026105945 568846431 /nfs/dbraw/zinc/84/64/31/568846431.db2.gz SPCSSMZEPHEHGV-JXMROGBWSA-N 0 0 434.514 2.129 50 0 IEAARN CCOC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 ZINC000015861414 568848220 /nfs/dbraw/zinc/84/82/20/568848220.db2.gz PVVBIZAZNSFXCV-ZDUSSCGKSA-N 0 0 432.546 2.343 50 0 IEAARN COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000006162665 568849064 /nfs/dbraw/zinc/84/90/64/568849064.db2.gz UPHTYVTYRITBOC-UHFFFAOYSA-N 0 0 436.848 2.278 50 0 IEAARN CCn1nnc2cc(C(=O)N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)ccc21 ZINC000015863240 568849103 /nfs/dbraw/zinc/84/91/03/568849103.db2.gz JIFCFJFGILGUES-UHFFFAOYSA-N 0 0 435.484 2.349 50 0 IEAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc(OC)c1OC ZINC000015867966 568851461 /nfs/dbraw/zinc/85/14/61/568851461.db2.gz IJINUXWDAQCBAE-AWEZNQCLSA-N 0 0 449.471 2.427 50 0 IEAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1cc(Cl)ccc1OC)c(=O)n2C ZINC000015880432 568854025 /nfs/dbraw/zinc/85/40/25/568854025.db2.gz NEAKBIBVDLTQRM-UHFFFAOYSA-N 0 0 432.864 2.103 50 0 IEAARN COc1cn(CC(=O)Nc2cccc3ccccc32)c(CSc2nnnn2C)cc1=O ZINC000015883872 568858106 /nfs/dbraw/zinc/85/81/06/568858106.db2.gz ISLXPBKHELDUPN-UHFFFAOYSA-N 0 0 436.497 2.465 50 0 IEAARN CN1c2ccccc2N(C2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)S1(=O)=O ZINC000575414166 568861006 /nfs/dbraw/zinc/86/10/06/568861006.db2.gz CGORTOQGGDWRHV-UHFFFAOYSA-N 0 0 444.513 2.019 50 0 IEAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000012936147 568865064 /nfs/dbraw/zinc/86/50/64/568865064.db2.gz DVSKPUZKUBJWQU-SFHVURJKSA-N 0 0 445.479 2.395 50 0 IEAARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3OC)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000016041106 568868204 /nfs/dbraw/zinc/86/82/04/568868204.db2.gz DQTOHGRUQVGZIK-BQJUDKOJSA-N 0 0 449.463 2.146 50 0 biogenic IEAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1C ZINC000012939455 568868704 /nfs/dbraw/zinc/86/87/04/568868704.db2.gz YYAGZMFPBUYDES-UHFFFAOYSA-N 0 0 443.525 2.455 50 0 IEAARN NC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)sc2c1CCCC2 ZINC000012946100 568870984 /nfs/dbraw/zinc/87/09/84/568870984.db2.gz SQKMLUKRAKWWTA-JOCHJYFZSA-N 0 0 438.509 2.058 50 0 IEAARN C[C@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2NC1=O ZINC000012946567 568871068 /nfs/dbraw/zinc/87/10/68/568871068.db2.gz RXJNDINCAPPJQB-CYBMUJFWSA-N 0 0 449.529 2.405 50 0 IEAARN Cc1cc2ncc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)c(C)n2n1 ZINC000012949264 568871801 /nfs/dbraw/zinc/87/18/01/568871801.db2.gz RQSVHWJVJJSVEG-UHFFFAOYSA-N 0 0 431.493 2.022 50 0 IEAARN COc1ccccc1N1CCN(CC(=O)N2CCC[C@H](Oc3cc(C)nc(C)n3)C2)C1=O ZINC000575608513 568878391 /nfs/dbraw/zinc/87/83/91/568878391.db2.gz GGSQWLLSROOZME-SFHVURJKSA-N 0 0 439.516 2.414 50 0 IEAARN COc1nc(CNC(=O)C2c3ccccc3Oc3ccccc32)nc(N2CCOCC2)n1 ZINC000575608633 568878479 /nfs/dbraw/zinc/87/84/79/568878479.db2.gz WLKQZDGRGZXTIN-UHFFFAOYSA-N 0 0 433.468 2.271 50 0 IEAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)cc1 ZINC000575612732 568879626 /nfs/dbraw/zinc/87/96/26/568879626.db2.gz CESCLHDAXNPFIA-KRWDZBQOSA-N 0 0 430.511 2.166 50 0 IEAARN Cc1c(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cnn1-c1ccccc1 ZINC000575613500 568879730 /nfs/dbraw/zinc/87/97/30/568879730.db2.gz SLEYNVKUFCWTIS-UHFFFAOYSA-N 0 0 429.477 2.251 50 0 IEAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2F)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006300134 568882668 /nfs/dbraw/zinc/88/26/68/568882668.db2.gz FNNLUBMIBKPJNC-INIZCTEOSA-N 0 0 425.464 2.133 50 0 IEAARN O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000035478426 568882726 /nfs/dbraw/zinc/88/27/26/568882726.db2.gz REFYXOJDVRBTJX-ZDUSSCGKSA-N 0 0 442.463 2.168 50 0 IEAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2nccnc2-c2cccs2)cc1 ZINC000575619301 568882889 /nfs/dbraw/zinc/88/28/89/568882889.db2.gz CKAIDUNCGNIQBG-UHFFFAOYSA-N 0 0 428.495 2.337 50 0 IEAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cc1 ZINC000575620820 568882947 /nfs/dbraw/zinc/88/29/47/568882947.db2.gz VPOBALNQWXQOMG-UHFFFAOYSA-N 0 0 428.495 2.337 50 0 IEAARN NS(=O)(=O)c1cccc(NC=C2C(=O)N(c3nccs3)C(=O)c3ccccc32)c1 ZINC000102397183 568884818 /nfs/dbraw/zinc/88/48/18/568884818.db2.gz SKVNPQFGDFTQMV-LFIBNONCSA-N 0 0 426.479 2.431 50 0 IEAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)NC(=O)[C@@H](C)O3)C2=O ZINC000229541788 568886808 /nfs/dbraw/zinc/88/68/08/568886808.db2.gz XDOABKHLXRNZAK-VJBOLBCHSA-N 0 0 428.489 2.481 50 0 IEAARN CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000229872296 568887109 /nfs/dbraw/zinc/88/71/09/568887109.db2.gz NNWALNKDNLRJEI-ROUUACIJSA-N 0 0 430.549 2.245 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)c(C)c1C ZINC000090607797 568890113 /nfs/dbraw/zinc/89/01/13/568890113.db2.gz VQJAXPGOOCQSJW-UHFFFAOYSA-N 0 0 427.530 2.404 50 0 IEAARN COc1cc(/C=C/C(=O)N2CCCSC[C@@H]2CN2CCOCC2)cc(OC)c1OC ZINC000090609071 568891297 /nfs/dbraw/zinc/89/12/97/568891297.db2.gz KNWKLEACNLUAOQ-QWNKOJSDSA-N 0 0 436.574 2.392 50 0 IEAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3cc(CC)nc(-c4cccnc4)n3c2=O)cc1 ZINC000090610063 568891639 /nfs/dbraw/zinc/89/16/39/568891639.db2.gz AXSPOJDSLFSWCZ-UHFFFAOYSA-N 0 0 446.467 2.331 50 0 IEAARN COc1ccc(CCNC(=O)CSc2cc(N3CCSCC3)ncn2)cc1OC ZINC000090610127 568891824 /nfs/dbraw/zinc/89/18/24/568891824.db2.gz HMABFJPQEILIKP-UHFFFAOYSA-N 0 0 434.587 2.498 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2ccc3c(c2)OCO3)cc1 ZINC000090612562 568892518 /nfs/dbraw/zinc/89/25/18/568892518.db2.gz VTIYMVWIPJBUCR-SFHVURJKSA-N 0 0 434.514 2.299 50 0 IEAARN COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000090612054 568892755 /nfs/dbraw/zinc/89/27/55/568892755.db2.gz KSTSAUFNBUPVAX-UHFFFAOYSA-N 0 0 428.532 2.047 50 0 IEAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000018092088 568894366 /nfs/dbraw/zinc/89/43/66/568894366.db2.gz BKPRULBFERBRMN-UHFFFAOYSA-N 0 0 429.498 2.087 50 0 IEAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)cc1F ZINC000012997800 568896903 /nfs/dbraw/zinc/89/69/03/568896903.db2.gz YHEFUVVWCIVPPM-ZFWWWQNUSA-N 0 0 435.525 2.442 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)cc1 ZINC000012998748 568897646 /nfs/dbraw/zinc/89/76/46/568897646.db2.gz KUIAXWRMOSAGQQ-UHFFFAOYSA-N 0 0 448.589 2.240 50 0 IEAARN O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(I)cc1 ZINC000013009476 568899843 /nfs/dbraw/zinc/89/98/43/568899843.db2.gz GUVBXVVVIYHORH-UHFFFAOYSA-N 0 0 435.225 2.495 50 0 IEAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1C ZINC000013019162 568901994 /nfs/dbraw/zinc/90/19/94/568901994.db2.gz JTVLNSIPBUSSHZ-UHFFFAOYSA-N 0 0 443.569 2.475 50 0 IEAARN COC(=O)[C@@H](C)NC(=O)COc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001751790 568904701 /nfs/dbraw/zinc/90/47/01/568904701.db2.gz ITSMOGNJPJUOIP-CYBMUJFWSA-N 0 0 439.420 2.288 50 0 biogenic IEAARN COC(=O)c1c(NC(=S)NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000001783145 568907275 /nfs/dbraw/zinc/90/72/75/568907275.db2.gz FNZWUTOAGKKSBE-UHFFFAOYSA-N 0 0 443.506 2.133 50 0 IEAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)O[C@H]1CCOC1=O ZINC000239302550 568911059 /nfs/dbraw/zinc/91/10/59/568911059.db2.gz FKOWLDIHPBEXFZ-OALUTQOASA-N 0 0 433.457 2.363 50 0 IEAARN C[C@H](O)[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)C1 ZINC000239351856 568911316 /nfs/dbraw/zinc/91/13/16/568911316.db2.gz AACGSGOAEGBBQB-VDZJLULYSA-N 0 0 434.583 2.483 50 0 IEAARN C[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)Nc1ncc(Cl)cc1Cl ZINC000239412482 568911595 /nfs/dbraw/zinc/91/15/95/568911595.db2.gz STIUFXKINYWTDP-MVWJERBFSA-N 0 0 428.272 2.434 50 0 IEAARN C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3CN3C[C@@H](C)O[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000241720920 568912394 /nfs/dbraw/zinc/91/23/94/568912394.db2.gz QTJBCIXQFLMWNQ-VIPLHTEESA-N 0 0 435.590 2.111 50 0 IEAARN CSCC[C@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000242389532 568912734 /nfs/dbraw/zinc/91/27/34/568912734.db2.gz ZYASWKQGKDHPMB-BZUAXINKSA-N 0 0 436.603 2.089 50 0 IEAARN COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C)C2=O ZINC000245236707 568913070 /nfs/dbraw/zinc/91/30/70/568913070.db2.gz VISRGQHQXVCLDW-NQERJWCQSA-N 0 0 425.485 2.305 50 0 IEAARN COc1ccc(CN(C[C@@H](O)COc2ccccc2OC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245228778 568913119 /nfs/dbraw/zinc/91/31/19/568913119.db2.gz FKTFMWJUZDFPSK-RBUKOAKNSA-N 0 0 435.542 2.133 50 0 IEAARN COc1ccc(C2=NO[C@@H]3[C@H]4O[C@H]([C@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@@H]45)[C@H]23)c(OC)c1 ZINC000245246499 568913324 /nfs/dbraw/zinc/91/33/24/568913324.db2.gz MZTJORHDZYNNJI-ISYHVGNFSA-N 0 0 434.448 2.318 50 0 IEAARN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000089420168 568924401 /nfs/dbraw/zinc/92/44/01/568924401.db2.gz KOUIGIMBPIURKF-RDTXWAMCSA-N 0 0 433.892 2.110 50 0 IEAARN COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1OC ZINC000004179108 568926052 /nfs/dbraw/zinc/92/60/52/568926052.db2.gz CENGIFUPSRNXKY-ROUUACIJSA-N 0 0 431.448 2.180 50 0 biogenic IEAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N(C)c4cccc(C)c4)cc32)no1 ZINC000064450614 568928627 /nfs/dbraw/zinc/92/86/27/568928627.db2.gz HSWAHSRPEUOYBE-UHFFFAOYSA-N 0 0 428.470 2.437 50 0 IEAARN COc1ccccc1-n1c(=O)n(CC(=O)N2CCC(C)CC2)c(=O)c2c(C)cc(C)nc21 ZINC000064450241 568928730 /nfs/dbraw/zinc/92/87/30/568928730.db2.gz BZEGZQGKBYZOFR-UHFFFAOYSA-N 0 0 436.512 2.431 50 0 IEAARN CCN(CC)c1cc2c(cc1NC(=O)c1cc(OC)cc(OC)c1)n(C)c(=O)c(=O)n2C ZINC000064526234 568931336 /nfs/dbraw/zinc/93/13/36/568931336.db2.gz NNYPNKMLKURDLP-UHFFFAOYSA-N 0 0 440.500 2.353 50 0 IEAARN Cn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)N1CCCCC1)C2 ZINC000064565601 568932541 /nfs/dbraw/zinc/93/25/41/568932541.db2.gz IPUWGTDBWNQJDS-UHFFFAOYSA-N 0 0 441.507 2.489 50 0 IEAARN CSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(Br)o2)CC3)n1C ZINC000064567074 568933432 /nfs/dbraw/zinc/93/34/32/568933432.db2.gz LDAKZVAGGGYETH-UHFFFAOYSA-N 0 0 437.323 2.492 50 0 IEAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NCCC4=CCCCC4)cc32)no1 ZINC000064605649 568939598 /nfs/dbraw/zinc/93/95/98/568939598.db2.gz BIWARVWQMMKJTK-UHFFFAOYSA-N 0 0 432.502 2.472 50 0 IEAARN COC(=O)CNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[nH]2)CC1 ZINC000064611805 568941581 /nfs/dbraw/zinc/94/15/81/568941581.db2.gz JRSGOUWZTSTMCI-UHFFFAOYSA-N 0 0 440.525 2.466 50 0 IEAARN COC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 ZINC000064710020 568944646 /nfs/dbraw/zinc/94/46/46/568944646.db2.gz RZLKBBORJORCDZ-UHFFFAOYSA-N 0 0 435.465 2.468 50 0 IEAARN CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(C)=O ZINC000036072851 568945724 /nfs/dbraw/zinc/94/57/24/568945724.db2.gz XYNAMBRQRCSUMQ-UHFFFAOYSA-N 0 0 441.532 2.068 50 0 IEAARN O=C(NC[C@H]1CCCO1)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036086051 568948450 /nfs/dbraw/zinc/94/84/50/568948450.db2.gz SQKAWUOJLXDHIU-GOSISDBHSA-N 0 0 440.887 2.005 50 0 IEAARN O=C(NC[C@H]1CCCO1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086195 568948495 /nfs/dbraw/zinc/94/84/95/568948495.db2.gz OHUASZOUBWZYKY-QGZVFWFLSA-N 0 0 440.887 2.005 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086253 568948503 /nfs/dbraw/zinc/94/85/03/568948503.db2.gz KNSMJSYCHZJGSE-UHFFFAOYSA-N 0 0 441.491 2.384 50 0 IEAARN C[C@H](c1ccccc1)n1c(=O)c(C(=O)NCc2ccccn2)nn(-c2ccccc2)c1=O ZINC000036086138 568948512 /nfs/dbraw/zinc/94/85/12/568948512.db2.gz MFEUBKZTSTUTKB-QGZVFWFLSA-N 0 0 427.464 2.329 50 0 IEAARN O=C(NCc1ccccn1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086192 568948529 /nfs/dbraw/zinc/94/85/29/568948529.db2.gz DZOKJKSZGSMVHA-UHFFFAOYSA-N 0 0 447.882 2.421 50 0 IEAARN Cc1cccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036086797 568949154 /nfs/dbraw/zinc/94/91/54/568949154.db2.gz RYFOFLIDNKZZMF-UHFFFAOYSA-N 0 0 441.491 2.118 50 0 IEAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccncc3)nn(-c3cccc(F)c3)c2=O)cc1 ZINC000036088396 568950338 /nfs/dbraw/zinc/95/03/38/568950338.db2.gz YIZZUALTHPUPPV-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN CNC(=O)c1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O ZINC000064759446 568951835 /nfs/dbraw/zinc/95/18/35/568951835.db2.gz QGQDWJHWJRBRAX-UHFFFAOYSA-N 0 0 440.431 2.065 50 0 IEAARN CCOc1ccccc1-c1nc2c(c(C(N)=O)n1)n(CC)c(=O)n2-c1ccc2c(c1)OCO2 ZINC000064775638 568954732 /nfs/dbraw/zinc/95/47/32/568954732.db2.gz ISTMPGHUAMBAJS-UHFFFAOYSA-N 0 0 447.451 2.495 50 0 IEAARN CC[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776124 568955090 /nfs/dbraw/zinc/95/50/90/568955090.db2.gz BLJKZGAJXKTSMG-SFHVURJKSA-N 0 0 447.495 2.417 50 0 IEAARN 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ZINC000169777552 569102995 /nfs/dbraw/zinc/10/29/95/569102995.db2.gz HESUPDHOTHFTCU-UHFFFAOYSA-N 0 0 449.515 2.417 50 0 IEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)NCc4cccs4)CC3)ccc21 ZINC000065085827 569103238 /nfs/dbraw/zinc/10/32/38/569103238.db2.gz WCASCMCUPZLDFJ-UHFFFAOYSA-N 0 0 449.554 2.300 50 0 IEAARN CCCN1C(=O)COc2ccc(-c3noc(CNS(=O)(=O)c4ccc(F)cc4)n3)cc21 ZINC000065098374 569104637 /nfs/dbraw/zinc/10/46/37/569104637.db2.gz YUNGHZOLVHBCGE-UHFFFAOYSA-N 0 0 446.460 2.490 50 0 IEAARN CCCN1C(=O)COc2ccc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)cc21 ZINC000065098411 569104643 /nfs/dbraw/zinc/10/46/43/569104643.db2.gz AVLKLYRJBAOFQD-UHFFFAOYSA-N 0 0 428.470 2.351 50 0 IEAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)cc1 ZINC000065115382 569106688 /nfs/dbraw/zinc/10/66/88/569106688.db2.gz VCDJUAUALITKBO-UHFFFAOYSA-N 0 0 429.454 2.304 50 0 IEAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)no1 ZINC000036423501 569107923 /nfs/dbraw/zinc/10/79/23/569107923.db2.gz 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/nfs/dbraw/zinc/11/59/80/569115980.db2.gz AFBDGILEABBLGH-UHFFFAOYSA-N 0 0 446.463 2.032 50 0 IEAARN CC(=O)c1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c1 ZINC000065213907 569116913 /nfs/dbraw/zinc/11/69/13/569116913.db2.gz CPRJYCGFTHKGIH-UHFFFAOYSA-N 0 0 431.514 2.254 50 0 IEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000007006660 569117623 /nfs/dbraw/zinc/11/76/23/569117623.db2.gz KEUITOKASWGQLC-OAHLLOKOSA-N 0 0 425.551 2.268 50 0 IEAARN CCOc1ccccc1C(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H](C1)O2 ZINC000065225077 569117762 /nfs/dbraw/zinc/11/77/62/569117762.db2.gz NRKGGQLJGDMMBQ-HDICACEKSA-N 0 0 430.526 2.308 50 0 IEAARN CCOc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1 ZINC000065226823 569117948 /nfs/dbraw/zinc/11/79/48/569117948.db2.gz LHYODCWIYMHCEG-UHFFFAOYSA-N 0 0 425.533 2.245 50 0 IEAARN O=C(C1CCN(c2cncnc2N2CCCCC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000065226543 569117991 /nfs/dbraw/zinc/11/79/91/569117991.db2.gz BJBYYKNUJXAKIK-UHFFFAOYSA-N 0 0 435.576 2.427 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ZINC000036589826 569121053 /nfs/dbraw/zinc/12/10/53/569121053.db2.gz NRYGRQNKHNEUBX-GOSISDBHSA-N 0 0 434.452 2.270 50 0 IEAARN COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1NCCCc1ccccc1 ZINC000036589723 569121170 /nfs/dbraw/zinc/12/11/70/569121170.db2.gz OIRMZXYQVMFERF-NQIIRXRSSA-N 0 0 437.583 2.165 50 0 IEAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3cc(OC)ccc3OC)C1)C(=O)N2C ZINC000065249420 569122055 /nfs/dbraw/zinc/12/20/55/569122055.db2.gz UWTKVFKGHDQCTQ-OAQYLSRUSA-N 0 0 432.498 2.021 50 0 biogenic IEAARN COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC ZINC000036615328 569122511 /nfs/dbraw/zinc/12/25/11/569122511.db2.gz MYJKHHZMWIOSEX-UHFFFAOYSA-N 0 0 447.561 2.221 50 0 IEAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000013130275 569125358 /nfs/dbraw/zinc/12/53/58/569125358.db2.gz LQRUVCLHPDAMLT-SFHVURJKSA-N 0 0 425.348 2.489 50 0 IEAARN COc1cc([C@H](CC(=O)N[C@H]2CN3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730751 569126184 /nfs/dbraw/zinc/12/61/84/569126184.db2.gz VZAONEAAWRGSAA-IRXDYDNUSA-N 0 0 428.485 2.100 50 0 biogenic IEAARN COCc1nc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n[nH]1 ZINC000524733315 569127107 /nfs/dbraw/zinc/12/71/07/569127107.db2.gz HMVVMTDDJDGOBU-IBGZPJMESA-N 0 0 432.440 2.095 50 0 biogenic IEAARN COc1cccc(Cn2c3cc(C(=O)N4CCN(C)CC4)ccc3n3nccc3c2=O)c1 ZINC000065270923 569127656 /nfs/dbraw/zinc/12/76/56/569127656.db2.gz BCJAPPORTBCRNX-UHFFFAOYSA-N 0 0 431.496 2.094 50 0 IEAARN CSCC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734389 569127758 /nfs/dbraw/zinc/12/77/58/569127758.db2.gz ANHVNSLKAUFNHC-PBHICJAKSA-N 0 0 441.509 2.353 50 0 IEAARN C=C1C(N2CCC(NC(=O)NCCOC)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065271808 569128618 /nfs/dbraw/zinc/12/86/18/569128618.db2.gz MYVQARPUZMJOHE-UHFFFAOYSA-N 0 0 440.953 2.223 50 0 IEAARN C=C1C(N2CCC(NC(=O)NCCOC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271813 569128637 /nfs/dbraw/zinc/12/86/37/569128637.db2.gz QXXWUBVVAIPOSA-UHFFFAOYSA-N 0 0 434.562 2.132 50 0 IEAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCN(C(=O)NC)C1 ZINC000065292088 569130432 /nfs/dbraw/zinc/13/04/32/569130432.db2.gz LQNKKNVTRSSFMC-GOSISDBHSA-N 0 0 448.511 2.206 50 0 IEAARN COc1ccccc1CC(=O)N1CCN(c2nc3ccncc3n(CC(C)C)c2=O)CC1 ZINC000065292788 569130748 /nfs/dbraw/zinc/13/07/48/569130748.db2.gz NSCSUDCPXILBEM-UHFFFAOYSA-N 0 0 435.528 2.347 50 0 IEAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)Nc1cccc(F)c1 ZINC000065295691 569131491 /nfs/dbraw/zinc/13/14/91/569131491.db2.gz YZXWWRDLXXKCOO-UHFFFAOYSA-N 0 0 432.463 2.326 50 0 IEAARN CC[C@]1(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292153 569132383 /nfs/dbraw/zinc/13/23/83/569132383.db2.gz ZMJUOYGCBRIJGH-SFHVURJKSA-N 0 0 449.495 2.157 50 0 IEAARN CC(C)CCn1c2nn(CC(=O)NCc3ccc(F)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305191 569133020 /nfs/dbraw/zinc/13/30/20/569133020.db2.gz YQQGRRJAZWAUDX-UHFFFAOYSA-N 0 0 443.504 2.374 50 0 IEAARN COc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1 ZINC000065305219 569133045 /nfs/dbraw/zinc/13/30/45/569133045.db2.gz BCYAMNAMMBOJCO-UHFFFAOYSA-N 0 0 427.486 2.176 50 0 IEAARN CCOc1ccc(CNC(=O)CN2c3ccc(F)cc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000065306882 569133456 /nfs/dbraw/zinc/13/34/56/569133456.db2.gz DQVBELOVBWVFKV-FQEVSTJZSA-N 0 0 425.460 2.492 50 0 IEAARN Cc1nnc2ccc(N3CCN(C(=O)CSc4nc5ccccc5s4)CC3)nn12 ZINC000036703690 569133815 /nfs/dbraw/zinc/13/38/15/569133815.db2.gz AWBJLFYSLACNSJ-UHFFFAOYSA-N 0 0 425.543 2.483 50 0 IEAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NC[C@H]4CCCO4)n3)cc2)CC1 ZINC000065319198 569134783 /nfs/dbraw/zinc/13/47/83/569134783.db2.gz GOPXXCXQYDUVIL-MRXNPFEDSA-N 0 0 434.518 2.066 50 0 IEAARN Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(N5CCCC5)ncn4)CC3)CC2=O)cc1C ZINC000036708254 569135029 /nfs/dbraw/zinc/13/50/29/569135029.db2.gz FCPBROVDXVCHFU-FQEVSTJZSA-N 0 0 448.571 2.395 50 0 IEAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCCc2ccccn2)CC3)CC1 ZINC000065313394 569135182 /nfs/dbraw/zinc/13/51/82/569135182.db2.gz UXOSYSVBTIIOQB-QGZVFWFLSA-N 0 0 441.601 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569493615 /nfs/dbraw/zinc/49/36/15/569493615.db2.gz NADUYAYNSFEKEU-UHFFFAOYSA-N 0 0 435.571 2.315 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(c4nc(C)no4)CC3)CC2)cc1 ZINC000040156253 569494135 /nfs/dbraw/zinc/49/41/35/569494135.db2.gz TZRGCXLYMUGDBR-UHFFFAOYSA-N 0 0 448.545 2.194 50 0 IEAARN O=C(Cn1cc(Br)ccc1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008985148 569494754 /nfs/dbraw/zinc/49/47/54/569494754.db2.gz GJGGVQNUOAONGY-UHFFFAOYSA-N 0 0 440.319 2.034 50 0 IEAARN COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1OC ZINC000040160323 569495067 /nfs/dbraw/zinc/49/50/67/569495067.db2.gz OKZGRMDNKNBBPI-QHCPKHFHSA-N 0 0 443.475 2.055 50 0 IEAARN COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 ZINC000008992298 569495394 /nfs/dbraw/zinc/49/53/94/569495394.db2.gz JNLCGODQODQSLE-GOSISDBHSA-N 0 0 445.541 2.371 50 0 IEAARN CCOc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000009001352 569496021 /nfs/dbraw/zinc/49/60/21/569496021.db2.gz KLXNSOJXPRSUCF-UHFFFAOYSA-N 0 0 431.452 2.039 50 0 IEAARN O=S(=O)(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000009005308 569496108 /nfs/dbraw/zinc/49/61/08/569496108.db2.gz DJDOHHXKWPXNII-HXUWFJFHSA-N 0 0 446.506 2.304 50 0 IEAARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccc(F)cc3)c2=O)c1 ZINC000009016171 569496784 /nfs/dbraw/zinc/49/67/84/569496784.db2.gz MMZNVPZBKCKKLW-UHFFFAOYSA-N 0 0 435.459 2.284 50 0 IEAARN Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3F)c2=O)cc1 ZINC000009016319 569496794 /nfs/dbraw/zinc/49/67/94/569496794.db2.gz MIODKWLDLZDUSK-UHFFFAOYSA-N 0 0 435.459 2.284 50 0 IEAARN CN1c2ccccc2N(CCNS(=O)(=O)c2ccccc2C(F)(F)F)S1(=O)=O ZINC000245170765 569497796 /nfs/dbraw/zinc/49/77/96/569497796.db2.gz XFJCHXCXMOKZHD-UHFFFAOYSA-N 0 0 435.449 2.185 50 0 IEAARN COc1ccc(NC(C)=O)cc1NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O ZINC000040288410 569498459 /nfs/dbraw/zinc/49/84/59/569498459.db2.gz ZRYBJPGDFXQWQZ-UHFFFAOYSA-N 0 0 426.429 2.019 50 0 IEAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 ZINC000009052140 569498723 /nfs/dbraw/zinc/49/87/23/569498723.db2.gz POEOJXDGGBPEQI-CQSZACIVSA-N 0 0 437.509 2.065 50 0 IEAARN CCn1c(SCC(=O)NC2CC2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009053141 569498784 /nfs/dbraw/zinc/49/87/84/569498784.db2.gz SBBIDBKUTWQXCN-UHFFFAOYSA-N 0 0 435.575 2.120 50 0 IEAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)o1 ZINC000009054342 569498903 /nfs/dbraw/zinc/49/89/03/569498903.db2.gz FUDZDUUHHZLEJV-UHFFFAOYSA-N 0 0 433.255 2.454 50 0 IEAARN COc1ccc2[nH]cc(CCNC(=O)c3nc(COc4ccccc4C(N)=O)no3)c2c1 ZINC000040313332 569498923 /nfs/dbraw/zinc/49/89/23/569498923.db2.gz QGXRBRSBMWWAQR-UHFFFAOYSA-N 0 0 435.440 2.210 50 0 biogenic IEAARN Cc1c(C)n2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CCCn1ccnc1 ZINC000009060241 569499381 /nfs/dbraw/zinc/49/93/81/569499381.db2.gz XFXVJPPQBJTSKM-UHFFFAOYSA-N 0 0 445.527 2.296 50 0 IEAARN Cc1ccccc1C(=O)Nc1nc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 ZINC000040355413 569499723 /nfs/dbraw/zinc/49/97/23/569499723.db2.gz RFNANIRQJMNFBE-QGZVFWFLSA-N 0 0 428.514 2.167 50 0 IEAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009086432 569500583 /nfs/dbraw/zinc/50/05/83/569500583.db2.gz JFBXAJOCVLIBLI-TVFCKZIOSA-N 0 0 438.281 2.324 50 0 IEAARN COc1ccc(C(=O)O[C@H]2OCCO[C@@H]2OC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000009090606 569501049 /nfs/dbraw/zinc/50/10/49/569501049.db2.gz WUCICDMUTLJHPE-FGZHOGPDSA-N 0 0 448.424 2.434 50 0 IEAARN C[C@@H]1Sc2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2NC1=O ZINC000245245721 569501219 /nfs/dbraw/zinc/50/12/19/569501219.db2.gz MLSPROIJYNGXIG-MJBXVCDLSA-N 0 0 431.539 2.089 50 0 IEAARN COc1ccc(-c2noc(COC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1OC ZINC000245267415 569501885 /nfs/dbraw/zinc/50/18/85/569501885.db2.gz LPKOBWDGZAYSHR-NWANDNLSSA-N 0 0 441.440 2.137 50 0 IEAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000245284659 569502196 /nfs/dbraw/zinc/50/21/96/569502196.db2.gz SYDGQILIZDTECC-BRWVUGGUSA-N 0 0 427.501 2.099 50 0 IEAARN CC(C)[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(N)=O ZINC000009113550 569502586 /nfs/dbraw/zinc/50/25/86/569502586.db2.gz WTPVBPXXNDWTAR-MRXNPFEDSA-N 0 0 428.580 2.346 50 0 IEAARN O=C(CCCn1c(=O)c2cccn2c2cccnc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000009115000 569502703 /nfs/dbraw/zinc/50/27/03/569502703.db2.gz NGCXPOZYKCBYCK-UHFFFAOYSA-N 0 0 433.468 2.007 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3ncccc3C)cc2C[C@@H]1C ZINC000009118163 569503226 /nfs/dbraw/zinc/50/32/26/569503226.db2.gz MZMMNRDYORLBET-YWZLYKJASA-N 0 0 442.541 2.479 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)Nc3cc(C)ccn3)cc2C[C@@H]1C ZINC000009118172 569503243 /nfs/dbraw/zinc/50/32/43/569503243.db2.gz ASJRENRZHTVJTB-MGPUTAFESA-N 0 0 442.541 2.479 50 0 IEAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000009120767 569503997 /nfs/dbraw/zinc/50/39/97/569503997.db2.gz VRYWMLPWZOVTEJ-UHFFFAOYSA-N 0 0 436.534 2.437 50 0 IEAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(F)c(Cl)c2)C1 ZINC000245330104 569504012 /nfs/dbraw/zinc/50/40/12/569504012.db2.gz XBWAKYLXBOKQCJ-XOKHGSTOSA-N 0 0 434.917 2.371 50 0 IEAARN O=C(Cn1cc(Br)ccc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009125442 569504643 /nfs/dbraw/zinc/50/46/43/569504643.db2.gz TXGWCLPSBKREOG-UHFFFAOYSA-N 0 0 440.319 2.034 50 0 IEAARN COc1ccc(-n2c(-c3ccc4c(c3)OCO4)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009126729 569505063 /nfs/dbraw/zinc/50/50/63/569505063.db2.gz JACJNBLCNLVXSZ-UHFFFAOYSA-N 0 0 445.435 2.080 50 0 IEAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1F ZINC000009127537 569505242 /nfs/dbraw/zinc/50/52/42/569505242.db2.gz MXDSMOLNBQEXGF-JOCHJYFZSA-N 0 0 425.416 2.009 50 0 IEAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009129347 569505710 /nfs/dbraw/zinc/50/57/10/569505710.db2.gz QVMOXBHJRHOEDY-UHFFFAOYSA-N 0 0 446.916 2.473 50 0 IEAARN CC(C)Cn1c(N)c(C(=O)CSc2nnc(Nc3ccccc3)s2)c(=O)n(C)c1=O ZINC000009130818 569506183 /nfs/dbraw/zinc/50/61/83/569506183.db2.gz YRKFUNBFUSHKDE-UHFFFAOYSA-N 0 0 446.558 2.355 50 0 IEAARN O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCCCc1ccccc1 ZINC000040478003 569506652 /nfs/dbraw/zinc/50/66/52/569506652.db2.gz XWYTZSPZBQSWEP-UHFFFAOYSA-N 0 0 436.903 2.439 50 0 IEAARN CN(C)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)cc1 ZINC000040478061 569506674 /nfs/dbraw/zinc/50/66/74/569506674.db2.gz IMYSXGQBCOTBCJ-UHFFFAOYSA-N 0 0 439.426 2.019 50 0 IEAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(Cl)cc2F)c3=O)c1 ZINC000040478140 569506721 /nfs/dbraw/zinc/50/67/21/569506721.db2.gz OFUPVJLHWYJKAY-UHFFFAOYSA-N 0 0 442.838 2.476 50 0 IEAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccc1 ZINC000009134601 569507053 /nfs/dbraw/zinc/50/70/53/569507053.db2.gz HLCMDDPVFVEILJ-INIZCTEOSA-N 0 0 433.505 2.371 50 0 IEAARN COc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009135086 569507092 /nfs/dbraw/zinc/50/70/92/569507092.db2.gz IHVSGIRCWZMLKU-UHFFFAOYSA-N 0 0 430.486 2.024 50 0 IEAARN 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/nfs/dbraw/zinc/05/55/82/524055582.db2.gz NVDJOOWFAAZYAH-UHFFFAOYSA-N 0 0 444.491 2.240 50 0 IEAARN COc1ccc(CNC(=O)c2cnc3sc(N4CCC[C@@H](C)C4)nn3c2=O)c(OC)c1 ZINC000021537720 524067659 /nfs/dbraw/zinc/06/76/59/524067659.db2.gz LYPSYQWZXNCKMO-CYBMUJFWSA-N 0 0 443.529 2.335 50 0 IEAARN CNC(=O)CSc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)s1 ZINC000023141746 524075516 /nfs/dbraw/zinc/07/55/16/524075516.db2.gz OJNUTXQGWUASAL-UHFFFAOYSA-N 0 0 429.930 2.131 50 0 IEAARN Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000012761152 524190913 /nfs/dbraw/zinc/19/09/13/524190913.db2.gz QAQIRGLUIBCQLJ-UHFFFAOYSA-N 0 0 426.492 2.037 50 0 IEAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000012811172 524218431 /nfs/dbraw/zinc/21/84/31/524218431.db2.gz XSMUIGUQAKVJGK-LJISPDSOSA-N 0 0 438.908 2.269 50 0 IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C1 ZINC000012140135 524242160 /nfs/dbraw/zinc/24/21/60/524242160.db2.gz OKOOCYCWPRKYIG-CYBMUJFWSA-N 0 0 427.482 2.243 50 0 IEAARN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012650833 524248124 /nfs/dbraw/zinc/24/81/24/524248124.db2.gz IFCHOUBNZPREIS-UHFFFAOYSA-N 0 0 426.878 2.379 50 0 IEAARN COc1cccc2cc(-c3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc3)c(=O)oc21 ZINC000012408871 524255600 /nfs/dbraw/zinc/25/56/00/524255600.db2.gz UBUCUYABFNNMIQ-INIZCTEOSA-N 0 0 443.477 2.151 50 0 IEAARN Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(C)c1 ZINC000012907477 524281866 /nfs/dbraw/zinc/28/18/66/524281866.db2.gz TWEVLMAVGQAINA-UHFFFAOYSA-N 0 0 432.546 2.089 50 0 IEAARN Cc1ccc(CCNC(=O)Cn2c3cccnc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000035450050 524325793 /nfs/dbraw/zinc/32/57/93/524325793.db2.gz HRUDRFHELCYISB-UHFFFAOYSA-N 0 0 428.492 2.274 50 0 IEAARN COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000020745618 524343238 /nfs/dbraw/zinc/34/32/38/524343238.db2.gz DDYUTIKTAPDSQQ-INIZCTEOSA-N 0 0 425.460 2.172 50 0 IEAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000012600782 524357604 /nfs/dbraw/zinc/35/76/04/524357604.db2.gz RJCAGUPHHASPOY-GASCZTMLSA-N 0 0 428.576 2.482 50 0 IEAARN COc1ccc(N([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000012380682 524369950 /nfs/dbraw/zinc/36/99/50/524369950.db2.gz DQXLJOGQXKKONX-OAHLLOKOSA-N 0 0 436.530 2.226 50 0 IEAARN Cc1ccc(CN2CCN(C(=O)[C@H]3CCc4nc(N5CCOCC5)ncc4C3)CC2)cc1C ZINC000065289631 524454755 /nfs/dbraw/zinc/45/47/55/524454755.db2.gz KFZMBIATAUIVSZ-QFIPXVFZSA-N 0 0 449.599 2.379 50 0 IEAARN COc1ccccc1CNC(=O)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1 ZINC000033292479 524485066 /nfs/dbraw/zinc/48/50/66/524485066.db2.gz ICROURBTHOYGJU-UHFFFAOYSA-N 0 0 435.415 2.419 50 0 IEAARN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)C4=NN(C)C(=O)CC4)CC3)cc2)n1 ZINC000011933579 524488479 /nfs/dbraw/zinc/48/84/79/524488479.db2.gz QLTOQHDPOZPMGV-UHFFFAOYSA-N 0 0 436.516 2.274 50 0 IEAARN Cc1cc(C)n(-c2ccc(SCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)nn2)n1 ZINC000021562645 524491711 /nfs/dbraw/zinc/49/17/11/524491711.db2.gz QAEKLPNWDPOFLV-UHFFFAOYSA-N 0 0 432.456 2.404 50 0 IEAARN COc1ccc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)S2(=O)=O)cc1OC ZINC000021923741 524495225 /nfs/dbraw/zinc/49/52/25/524495225.db2.gz ATSUMLYNCPHAJK-UHFFFAOYSA-N 0 0 439.921 2.358 50 0 IEAARN C[C@@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000020530408 524529063 /nfs/dbraw/zinc/52/90/63/524529063.db2.gz FGYQVEHRPVJIJH-INIZCTEOSA-N 0 0 427.526 2.334 50 0 IEAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2cccnc2n(Cc2ccncc2)c(=O)c1=O ZINC000035450583 524532131 /nfs/dbraw/zinc/53/21/31/524532131.db2.gz VRMSPHMOVLATIN-SFHVURJKSA-N 0 0 443.507 2.139 50 0 IEAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Cl)cc3)c2N)cc1OC ZINC000020574993 524534178 /nfs/dbraw/zinc/53/41/78/524534178.db2.gz VQXHNNCRNGRMJL-UHFFFAOYSA-N 0 0 430.852 2.422 50 0 IEAARN Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1F ZINC000012745567 524542392 /nfs/dbraw/zinc/54/23/92/524542392.db2.gz KGLUUAYQVMWLJE-SFHVURJKSA-N 0 0 434.489 2.375 50 0 IEAARN Cc1cccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(=O)[nH]c4)n3)CC2)c1 ZINC000012440083 524548119 /nfs/dbraw/zinc/54/81/19/524548119.db2.gz TWXRFUUDPCGDIO-UHFFFAOYSA-N 0 0 437.525 2.283 50 0 IEAARN COc1ccccc1N1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000012325007 524549145 /nfs/dbraw/zinc/54/91/45/524549145.db2.gz QVLFSJXAAPDQRT-UHFFFAOYSA-N 0 0 443.305 2.396 50 0 IEAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000021529119 524553837 /nfs/dbraw/zinc/55/38/37/524553837.db2.gz DWZYNLHBFNTRAF-QHCPKHFHSA-N 0 0 443.569 2.295 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C)C3=O)cc1 ZINC000021874734 524556260 /nfs/dbraw/zinc/55/62/60/524556260.db2.gz ALVYBXOOYJCMFU-XMMPIXPASA-N 0 0 437.544 2.415 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C)C3=O)o1 ZINC000021875184 524556277 /nfs/dbraw/zinc/55/62/77/524556277.db2.gz NDENKVJZFJYCMY-JOCHJYFZSA-N 0 0 427.505 2.008 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCCC(C)C)N(C)C3=O)cc1 ZINC000021875687 524558622 /nfs/dbraw/zinc/55/86/22/524558622.db2.gz ONSLVHUOUWQBAJ-HSZRJFAPSA-N 0 0 425.533 2.128 50 0 IEAARN COc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000020529610 524590389 /nfs/dbraw/zinc/59/03/89/524590389.db2.gz MLPUHNQQYSYBOX-CQSZACIVSA-N 0 0 431.514 2.300 50 0 IEAARN COc1ccccc1NC(=O)CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000021928127 524591405 /nfs/dbraw/zinc/59/14/05/524591405.db2.gz LQGBDBHLALWNGK-UHFFFAOYSA-N 0 0 443.525 2.398 50 0 IEAARN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000035482356 524595010 /nfs/dbraw/zinc/59/50/10/524595010.db2.gz RXKBGSQVCRMMPI-KRWDZBQOSA-N 0 0 445.497 2.126 50 0 IEAARN Cc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1C ZINC000021264388 524602809 /nfs/dbraw/zinc/60/28/09/524602809.db2.gz SOIVFCLWUYVYEI-UHFFFAOYSA-N 0 0 442.585 2.412 50 0 IEAARN COc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1S(=O)(=O)N(C)C ZINC000012782583 524647103 /nfs/dbraw/zinc/64/71/03/524647103.db2.gz GZNNPMYDBLMOQW-UHFFFAOYSA-N 0 0 446.485 2.468 50 0 IEAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 ZINC000033021379 524650255 /nfs/dbraw/zinc/65/02/55/524650255.db2.gz GYHUBBGSDXVNCV-OAHLLOKOSA-N 0 0 429.498 2.365 50 0 IEAARN COc1ccccc1OCC(=O)N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012759336 524658049 /nfs/dbraw/zinc/65/80/49/524658049.db2.gz NUXURDCLNREDBP-INIZCTEOSA-N 0 0 428.489 2.109 50 0 IEAARN C[C@@H](CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(C)C2=O)c1ccccc1 ZINC000021874295 524714203 /nfs/dbraw/zinc/71/42/03/524714203.db2.gz FSHYMSRKYDKXKW-FYSMJZIKSA-N 0 0 437.544 2.320 50 0 IEAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2cnc3sccn3c2=O)CC1 ZINC000021652667 524734884 /nfs/dbraw/zinc/73/48/84/524734884.db2.gz NPQVFHPPRXWCCX-UHFFFAOYSA-N 0 0 431.949 2.270 50 0 IEAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1 ZINC000022583028 524829930 /nfs/dbraw/zinc/82/99/30/524829930.db2.gz CUAAWGOSMAMTJI-UHFFFAOYSA-N 0 0 436.512 2.484 50 0 IEAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C1 ZINC000012601527 524887275 /nfs/dbraw/zinc/88/72/75/524887275.db2.gz URJIVZLUCXPNHX-ROUUACIJSA-N 0 0 443.573 2.106 50 0 IEAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 ZINC000012590227 524893927 /nfs/dbraw/zinc/89/39/27/524893927.db2.gz XLIYJJJNRAGQIF-AOMKIAJQSA-N 0 0 427.457 2.428 50 0 IEAARN Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21 ZINC000012333795 524902745 /nfs/dbraw/zinc/90/27/45/524902745.db2.gz WSVJRYJJGIGYBW-WBVHZDCISA-N 0 0 429.970 2.147 50 0 IEAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000020848678 524924667 /nfs/dbraw/zinc/92/46/67/524924667.db2.gz FHKQKBGTHHKNBN-ZWKOTPCHSA-N 0 0 439.965 2.459 50 0 IEAARN Cc1cccc2c(=O)[nH]c(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc12 ZINC000035269224 524924679 /nfs/dbraw/zinc/92/46/79/524924679.db2.gz XNPHWHOKFCUQMN-UHFFFAOYSA-N 0 0 430.505 2.267 50 0 IEAARN COc1ccc(OC2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1 ZINC000020890635 524925934 /nfs/dbraw/zinc/92/59/34/524925934.db2.gz ZUYVIAPHNCKEFR-UHFFFAOYSA-N 0 0 429.502 2.211 50 0 IEAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3ccccn3)ccc2N1C(=O)C1CC1 ZINC000020529893 524981916 /nfs/dbraw/zinc/98/19/16/524981916.db2.gz BMJZZBGVVJFSIO-AWEZNQCLSA-N 0 0 428.514 2.076 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000012905310 525020664 /nfs/dbraw/zinc/02/06/64/525020664.db2.gz GORJUMPLKSDHJX-UHFFFAOYSA-N 0 0 444.962 2.480 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000012816141 525021011 /nfs/dbraw/zinc/02/10/11/525021011.db2.gz AFIHESIICVPTBP-UHFFFAOYSA-N 0 0 446.497 2.105 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000012541147 525025614 /nfs/dbraw/zinc/02/56/14/525025614.db2.gz XOWGATNHBDJKNB-UHFFFAOYSA-N 0 0 444.517 2.177 50 0 IEAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(Cl)c1 ZINC000012907482 525028695 /nfs/dbraw/zinc/02/86/95/525028695.db2.gz 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COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCC3)nc2)cc1OC ZINC000022389713 525056178 /nfs/dbraw/zinc/05/61/78/525056178.db2.gz XSNXPSHLNGJFOS-UHFFFAOYSA-N 0 0 434.518 2.006 50 0 IEAARN COc1ccc(S(=O)(=O)NCCCOC23CC4CC(CC(C4)C2)C3)cc1-n1cnnn1 ZINC000012371423 525058176 /nfs/dbraw/zinc/05/81/76/525058176.db2.gz OPRNSODGAULUCX-UHFFFAOYSA-N 0 0 447.561 2.325 50 0 IEAARN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)cc1 ZINC000022909158 525078474 /nfs/dbraw/zinc/07/84/74/525078474.db2.gz QNEMWXMZWVLXLA-UHFFFAOYSA-N 0 0 442.585 2.494 50 0 IEAARN Cc1cc(NC(=O)CN2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)no1 ZINC000022841117 525139427 /nfs/dbraw/zinc/13/94/27/525139427.db2.gz GFQWDOLMHKYTJW-GOSISDBHSA-N 0 0 439.560 2.295 50 0 IEAARN C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012322085 525150031 /nfs/dbraw/zinc/15/00/31/525150031.db2.gz WAYPQJPVLILPNY-YWZLYKJASA-N 0 0 429.904 2.333 50 0 IEAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000009667727 525154232 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COc1ccc(-c2noc(COC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1OC ZINC000101440852 557285667 /nfs/dbraw/zinc/28/56/67/557285667.db2.gz LPKOBWDGZAYSHR-QEJZJMRPSA-N 0 0 441.440 2.137 50 0 IEAARN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1c[nH]c2ccccc21 ZINC000101455632 557285899 /nfs/dbraw/zinc/28/58/99/557285899.db2.gz SXJYHLIKPLTNBQ-HXUWFJFHSA-N 0 0 443.463 2.469 50 0 IEAARN COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 ZINC000011665883 557293792 /nfs/dbraw/zinc/29/37/92/557293792.db2.gz QBYJKMSGIGMQBM-UHFFFAOYSA-N 0 0 433.447 2.321 50 0 IEAARN COCCN(CCOC)S(=O)(=O)c1cc(Br)ccc1Br ZINC000014160213 557311811 /nfs/dbraw/zinc/31/18/11/557311811.db2.gz OLDXCXFQVJUOJG-UHFFFAOYSA-N 0 0 431.146 2.495 50 0 IEAARN CC(C)C[C@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102020240 557311912 /nfs/dbraw/zinc/31/19/12/557311912.db2.gz MJVGLNMZETUZHM-FGTMMUONSA-N 0 0 427.549 2.329 50 0 IEAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Br)c1 ZINC000102176931 557314263 /nfs/dbraw/zinc/31/42/63/557314263.db2.gz GIFDSKVGYUTHNM-STQMWFEESA-N 0 0 437.290 2.414 50 0 IEAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@H]1C ZINC000102252695 557316476 /nfs/dbraw/zinc/31/64/76/557316476.db2.gz PMBMZYXQFSHUCP-HPFXQQBRSA-N 0 0 430.501 2.295 50 0 IEAARN COC(=O)C[C@]1(C(=O)OC)Nc2cc(F)ccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 ZINC000102252132 557316503 /nfs/dbraw/zinc/31/65/03/557316503.db2.gz CJNLKNLGFZSCFN-NRFANRHFSA-N 0 0 442.378 2.065 50 0 IEAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000014201429 557317553 /nfs/dbraw/zinc/31/75/53/557317553.db2.gz YKTBMWIXZWHHNY-BFYDXBDKSA-N 0 0 438.546 2.279 50 0 IEAARN COC(=O)CN1C(=O)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O ZINC000033392516 557319889 /nfs/dbraw/zinc/31/98/89/557319889.db2.gz BFVBUMRAITUVTD-YHYXMXQVSA-N 0 0 449.222 2.215 50 0 IEAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(Cl)cc1Cl ZINC000102399830 557320713 /nfs/dbraw/zinc/32/07/13/557320713.db2.gz NBIFUDPTAIIPHK-OKILXGFUSA-N 0 0 427.284 2.328 50 0 IEAARN CC(C)OCCC[N@H+](C)C1CCN(c2ccc(C(=O)[O-])cc2NS(C)(=O)=O)CC1 ZINC000033254045 557327722 /nfs/dbraw/zinc/32/77/22/557327722.db2.gz FFOCPSGTOFWSBA-UHFFFAOYSA-N 0 0 427.567 2.472 50 0 IEAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000014242930 557329411 /nfs/dbraw/zinc/32/94/11/557329411.db2.gz XVVFFOGGHULMNM-HOCLYGCPSA-N 0 0 432.498 2.435 50 0 IEAARN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000014242931 557329478 /nfs/dbraw/zinc/32/94/78/557329478.db2.gz XVVFFOGGHULMNM-GDBMZVCRSA-N 0 0 432.498 2.435 50 0 IEAARN CCCCN(C(=O)CN1CC[C@H]1c1ccccc1F)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000072308976 557330168 /nfs/dbraw/zinc/33/01/68/557330168.db2.gz MRTKZFGXIMCSRG-KRWDZBQOSA-N 0 0 431.512 2.248 50 0 IEAARN Cn1c2nc(NCc3ccco3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000000838121 557338503 /nfs/dbraw/zinc/33/85/03/557338503.db2.gz UYURTGZOXJFAOR-UHFFFAOYSA-N 0 0 444.289 2.450 50 0 biogenic IEAARN CCOC(=O)C(=O)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000023432292 557355358 /nfs/dbraw/zinc/35/53/58/557355358.db2.gz IMVLBOBKUUZXAT-UHFFFAOYSA-N 0 0 449.298 2.310 50 0 IEAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220841443 557368595 /nfs/dbraw/zinc/36/85/95/557368595.db2.gz CPPHTHPVPMULHT-INIZCTEOSA-N 0 0 445.483 2.108 50 0 IEAARN O=C(CNC(=O)OCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220865447 557369196 /nfs/dbraw/zinc/36/91/96/557369196.db2.gz CEFBRFOAIDNWJD-KRWDZBQOSA-N 0 0 436.472 2.234 50 0 IEAARN O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220871176 557369459 /nfs/dbraw/zinc/36/94/59/557369459.db2.gz DEBWNILDTOMQAM-QGZVFWFLSA-N 0 0 434.500 2.458 50 0 IEAARN COc1ccc(Cn2nnnc2SCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023873303 557377461 /nfs/dbraw/zinc/37/74/61/557377461.db2.gz ZKOIUBBCMFTCNG-UHFFFAOYSA-N 0 0 438.557 2.167 50 0 IEAARN O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1nnc(C2CCCCC2)s1 ZINC000072401379 557394379 /nfs/dbraw/zinc/39/43/79/557394379.db2.gz FXBIZQRWHVGRPY-UHFFFAOYSA-N 0 0 434.518 2.389 50 0 IEAARN O=C(CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000033527002 557403973 /nfs/dbraw/zinc/40/39/73/557403973.db2.gz UJFXWGNNDWGDNV-IGVUGNCQSA-N 0 0 426.903 2.193 50 0 IEAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000102869775 557405102 /nfs/dbraw/zinc/40/51/02/557405102.db2.gz MHILWUFOOLFWPA-GJZGRUSLSA-N 0 0 448.317 2.154 50 0 IEAARN COCCCn1c(C(=O)Nc2ccc(C(N)=O)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000033556459 557410832 /nfs/dbraw/zinc/41/08/32/557410832.db2.gz MLTOYBVWFQINNU-UHFFFAOYSA-N 0 0 433.468 2.345 50 0 IEAARN NC(=O)COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1 ZINC000102898521 557411031 /nfs/dbraw/zinc/41/10/31/557411031.db2.gz UIAYFEOAWYWAJN-WMZHIEFXSA-N 0 0 431.404 2.225 50 0 IEAARN O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(c3ncc[nH]3)CC2)CC1 ZINC000408518074 557412263 /nfs/dbraw/zinc/41/22/63/557412263.db2.gz SULHMCPGWPGNKS-UHFFFAOYSA-N 0 0 446.349 2.373 50 0 IEAARN Cc1cc(NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)n(Cc2ccccc2)n1 ZINC000408518880 557412690 /nfs/dbraw/zinc/41/26/90/557412690.db2.gz GYGOMFNVAZBIIO-UHFFFAOYSA-N 0 0 445.479 2.466 50 0 IEAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024569058 557457491 /nfs/dbraw/zinc/45/74/91/557457491.db2.gz NSKGDPZAKDWABL-ZDUSSCGKSA-N 0 0 429.860 2.485 50 0 IEAARN CCCCN(C(=O)CSc1nnc(SC)s1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000015276624 557460090 /nfs/dbraw/zinc/46/00/90/557460090.db2.gz HBSLPJWYCHUEBW-UHFFFAOYSA-N 0 0 444.608 2.028 50 0 IEAARN COc1ccc(CN(C[C@H](O)COc2ccccc2OC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000104822962 557462219 /nfs/dbraw/zinc/46/22/19/557462219.db2.gz FKTFMWJUZDFPSK-OALUTQOASA-N 0 0 435.542 2.133 50 0 IEAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 ZINC000104809295 557462260 /nfs/dbraw/zinc/46/22/60/557462260.db2.gz ZBRWXWZARNSUKQ-HUUCEWRRSA-N 0 0 446.525 2.268 50 0 IEAARN CNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000015622841 557462952 /nfs/dbraw/zinc/46/29/52/557462952.db2.gz HJJVVCQQESBHNA-KPKJPENVSA-N 0 0 427.526 2.485 50 0 IEAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000104940693 557466327 /nfs/dbraw/zinc/46/63/27/557466327.db2.gz BXYAHRWNMUEPHR-VGOFRKELSA-N 0 0 442.560 2.451 50 0 IEAARN CCc1ccc2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000105348034 557495836 /nfs/dbraw/zinc/49/58/36/557495836.db2.gz ZUBIIHQUYPUKHA-XOWSPFIPSA-N 0 0 425.529 2.073 50 0 IEAARN CC[C@]1(c2ccccc2)NC(=O)N(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1=O ZINC000105577980 557507702 /nfs/dbraw/zinc/50/77/02/557507702.db2.gz SJVGVPBNETUUHP-GAJHUEQPSA-N 0 0 425.485 2.368 50 0 IEAARN CC[C@@]1(c2ccccc2)NC(=O)N(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1=O ZINC000105577976 557507730 /nfs/dbraw/zinc/50/77/30/557507730.db2.gz SJVGVPBNETUUHP-SBUREZEXSA-N 0 0 425.485 2.368 50 0 IEAARN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)no1 ZINC000012029111 557524629 /nfs/dbraw/zinc/52/46/29/557524629.db2.gz GKMSITMOTODTKV-KRWDZBQOSA-N 0 0 432.502 2.292 50 0 IEAARN O=C(Nc1cccc2cccnc21)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029926 557525194 /nfs/dbraw/zinc/52/51/94/557525194.db2.gz DKDMKXAVIXGBMB-KRWDZBQOSA-N 0 0 430.507 2.448 50 0 IEAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000003348005 557525631 /nfs/dbraw/zinc/52/56/31/557525631.db2.gz BEFLHQNHQITVIX-OWNNVSBGSA-N 0 0 436.214 2.081 50 0 IEAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000012071588 557526623 /nfs/dbraw/zinc/52/66/23/557526623.db2.gz NXKFZCXBQJSYFM-MRXNPFEDSA-N 0 0 435.459 2.364 50 0 IEAARN C[C@@H](Oc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cn1)c1ccccc1 ZINC000106565809 557530206 /nfs/dbraw/zinc/53/02/06/557530206.db2.gz MTTQKRKVNLVPMF-KZNAEPCWSA-N 0 0 447.557 2.390 50 0 IEAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)cc2F)C[C@@H](C)O1 ZINC000106921285 557533186 /nfs/dbraw/zinc/53/31/86/557533186.db2.gz VZDQJNAYQQPXAY-SOHPYSCWSA-N 0 0 447.511 2.281 50 0 IEAARN O=C(c1nnc(-c2cc(S(=O)(=O)NCc3ccccc3Cl)c[nH]2)o1)N1CCCC1 ZINC000085808549 557536772 /nfs/dbraw/zinc/53/67/72/557536772.db2.gz RSCOHSPEIPDGAB-UHFFFAOYSA-N 0 0 435.893 2.433 50 0 IEAARN COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)c(Cl)c2)c1=O ZINC000044841238 557539513 /nfs/dbraw/zinc/53/95/13/557539513.db2.gz JFSIMZVNCHNSJP-UHFFFAOYSA-N 0 0 433.867 2.309 50 0 IEAARN C[C@H](CNC(=O)CC[C@@H]1CCCO1)OC(=O)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000108149488 557541366 /nfs/dbraw/zinc/54/13/66/557541366.db2.gz VJTQQCNUOUQYAT-YZGWKJHDSA-N 0 0 438.565 2.191 50 0 IEAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3C[C@H](O)C[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000108155669 557541462 /nfs/dbraw/zinc/54/14/62/557541462.db2.gz RYWZYJKJTCLJTG-MSYCTHLASA-N 0 0 425.460 2.236 50 0 IEAARN CC(C)NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)Nc2ccccc2)c1=O ZINC000045898700 557546229 /nfs/dbraw/zinc/54/62/29/557546229.db2.gz OVRHOERCBYNLJX-UHFFFAOYSA-N 0 0 436.512 2.497 50 0 IEAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC(C)(C)C)C3)c(C)cc2NC1=O ZINC000045900855 557546827 /nfs/dbraw/zinc/54/68/27/557546827.db2.gz UBCLHJIDVOYTHE-HOCLYGCPSA-N 0 0 437.562 2.420 50 0 IEAARN O=C(c1csc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1)N1CCCCCC1 ZINC000045961799 557555341 /nfs/dbraw/zinc/55/53/41/557555341.db2.gz PQVPRSBRZYOVAI-UHFFFAOYSA-N 0 0 435.575 2.065 50 0 IEAARN COc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)c(OC)c1 ZINC000045970929 557558297 /nfs/dbraw/zinc/55/82/97/557558297.db2.gz DAMWIHKYKDLLIH-UHFFFAOYSA-N 0 0 445.439 2.152 50 0 IEAARN CCOc1ccc(NC(=O)[C@H](C)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 ZINC000225387264 557717381 /nfs/dbraw/zinc/71/73/81/557717381.db2.gz WQJAPVOWCXLAQT-INIZCTEOSA-N 0 0 429.542 2.489 50 0 IEAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000225446332 557723737 /nfs/dbraw/zinc/72/37/37/557723737.db2.gz RMFBDCSESGAGDD-YADARESESA-N 0 0 440.519 2.450 50 0 IEAARN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cn1 ZINC000225459104 557725012 /nfs/dbraw/zinc/72/50/12/557725012.db2.gz QIECJWPFMXXICU-OAHLLOKOSA-N 0 0 426.491 2.050 50 0 IEAARN COc1cc2c(cc1S(=O)(=O)N(Cc1cccs1)C[C@H]1CCCO1)OCC(=O)N2 ZINC000225479728 557727655 /nfs/dbraw/zinc/72/76/55/557727655.db2.gz AQAPPAXHRZDNDP-CYBMUJFWSA-N 0 0 438.527 2.458 50 0 IEAARN O=C(c1ccoc1)N1CCC(Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)CC1 ZINC000225503503 557731319 /nfs/dbraw/zinc/73/13/19/557731319.db2.gz ADQRVGHRYNZRAA-UHFFFAOYSA-N 0 0 433.530 2.142 50 0 IEAARN COC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000225547065 557740024 /nfs/dbraw/zinc/74/00/24/557740024.db2.gz SWZOLSPZJQALSJ-VIFPVBQESA-N 0 0 430.729 2.348 50 0 IEAARN CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@H](c2ccccc2)C1 ZINC000225549851 557740875 /nfs/dbraw/zinc/74/08/75/557740875.db2.gz ZBXXWAPHKAFEAA-HNNXBMFYSA-N 0 0 430.498 2.360 50 0 IEAARN CC(C)(C)OC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000225602943 557750129 /nfs/dbraw/zinc/75/01/29/557750129.db2.gz IPSAZQZCUKNBBW-INIZCTEOSA-N 0 0 431.537 2.219 50 0 IEAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)cc1F ZINC000040478088 557753321 /nfs/dbraw/zinc/75/33/21/557753321.db2.gz AUKGDTCCLIDUMN-UHFFFAOYSA-N 0 0 428.374 2.401 50 0 IEAARN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000225764556 557774306 /nfs/dbraw/zinc/77/43/06/557774306.db2.gz OHGTXABWKIUYNN-MJGOQNOKSA-N 0 0 447.576 2.448 50 0 IEAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N1CCC2(CC1)NC(=O)NC2=O ZINC000025007673 557831389 /nfs/dbraw/zinc/83/13/89/557831389.db2.gz JYLSRWFVLDPXCA-UHFFFAOYSA-N 0 0 425.464 2.095 50 0 IEAARN CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000229770898 557833087 /nfs/dbraw/zinc/83/30/87/557833087.db2.gz WGSSOLHVUMHORA-FXAWDEMLSA-N 0 0 439.578 2.497 50 0 IEAARN COC(=O)[C@@H]1[C@H](OS(=O)(=O)[O-])CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]21 ZINC000229832781 557833308 /nfs/dbraw/zinc/83/33/08/557833308.db2.gz 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COCCn1c(=O)c2c(ncn2CC(=O)c2cccc(OC)c2)n(-c2ccc(C)cc2)c1=O ZINC000034693489 557849063 /nfs/dbraw/zinc/84/90/63/557849063.db2.gz CTUSMMMORSALDL-UHFFFAOYSA-N 0 0 448.479 2.195 50 0 IEAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)c2cccc(C)c2)cc1 ZINC000001250061 562921052 /nfs/dbraw/zinc/92/10/52/562921052.db2.gz JSZOJJIBKRSVAC-GOSISDBHSA-N 0 0 445.541 2.190 50 0 IEAARN NC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000002642233 562929100 /nfs/dbraw/zinc/92/91/00/562929100.db2.gz SFNULSAOVRXFRG-OAQYLSRUSA-N 0 0 445.475 2.309 50 0 IEAARN COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 ZINC000002646444 562929178 /nfs/dbraw/zinc/92/91/78/562929178.db2.gz IRMVQYYVJSCXHP-UHFFFAOYSA-N 0 0 443.525 2.170 50 0 IEAARN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O ZINC000002654852 562929506 /nfs/dbraw/zinc/92/95/06/562929506.db2.gz MNYJGDSGROLWHN-INIZCTEOSA-N 0 0 443.525 2.471 50 0 IEAARN COc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002658549 562929551 /nfs/dbraw/zinc/92/95/51/562929551.db2.gz UPTBHMYAPKZWMG-UHFFFAOYSA-N 0 0 426.878 2.199 50 0 IEAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)cc(OC)c1 ZINC000002928039 562930660 /nfs/dbraw/zinc/93/06/60/562930660.db2.gz DNFJVPQKPYAMSD-UHFFFAOYSA-N 0 0 446.485 2.279 50 0 IEAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 ZINC000003021134 562931752 /nfs/dbraw/zinc/93/17/52/562931752.db2.gz LSSDZSGLTAXKRE-UHFFFAOYSA-N 0 0 441.303 2.163 50 0 IEAARN O=C(NCCCn1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000003279415 562933592 /nfs/dbraw/zinc/93/35/92/562933592.db2.gz FHCQQFKEXDBXSY-UHFFFAOYSA-N 0 0 447.344 2.031 50 0 IEAARN O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)Nc1ncc(Cl)cc1Cl ZINC000003288596 562933759 /nfs/dbraw/zinc/93/37/59/562933759.db2.gz IPLWUFVWCJKWRS-UHFFFAOYSA-N 0 0 426.212 2.029 50 0 IEAARN COc1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000003318634 562934133 /nfs/dbraw/zinc/93/41/33/562934133.db2.gz STJJSOUPDNDXBY-UHFFFAOYSA-N 0 0 438.527 2.339 50 0 IEAARN Cc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000003379067 562935058 /nfs/dbraw/zinc/93/50/58/562935058.db2.gz OFMYJGOFCYHERX-UHFFFAOYSA-N 0 0 436.273 2.140 50 0 IEAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCc1ccc3c(c1)OCCO3)C2=O ZINC000003422536 562935535 /nfs/dbraw/zinc/93/55/35/562935535.db2.gz DVLKZWKOFMMBGP-WNSKOXEYSA-N 0 0 429.517 2.253 50 0 IEAARN CCCCn1nc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc2c1=O ZINC000003456024 562936111 /nfs/dbraw/zinc/93/61/11/562936111.db2.gz QKWIZIQOBWRLGW-UHFFFAOYSA-N 0 0 428.470 2.153 50 0 IEAARN O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCc1ccc2c(c1)OCO2 ZINC000003477433 562936191 /nfs/dbraw/zinc/93/61/91/562936191.db2.gz BOPCYFPNANNFFP-UHFFFAOYSA-N 0 0 430.404 2.419 50 0 IEAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)on3)c2=O)cc1OC ZINC000003957875 562940011 /nfs/dbraw/zinc/94/00/11/562940011.db2.gz WODHTYOJXCNXJX-UHFFFAOYSA-N 0 0 436.424 2.105 50 0 IEAARN CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 ZINC000003977908 562940268 /nfs/dbraw/zinc/94/02/68/562940268.db2.gz YNDXUCZADRHECN-OHBSHYRDSA-N 0 0 434.504 2.419 50 0 biogenic IEAARN Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004035033 562940985 /nfs/dbraw/zinc/94/09/85/562940985.db2.gz FFXJPCQDIPKZQX-UHFFFAOYSA-N 0 0 439.419 2.085 50 0 IEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NCc3ccccc3)C(C)C)ccc21 ZINC000004035093 562941062 /nfs/dbraw/zinc/94/10/62/562941062.db2.gz YFTCHBNTLFJPHG-OAQYLSRUSA-N 0 0 429.542 2.215 50 0 IEAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 ZINC000004101309 562941849 /nfs/dbraw/zinc/94/18/49/562941849.db2.gz RYMSRSHYHGNZKF-UHFFFAOYSA-N 0 0 443.525 2.116 50 0 IEAARN Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004115534 562942192 /nfs/dbraw/zinc/94/21/92/562942192.db2.gz FAJNCXRRDYTCIY-UHFFFAOYSA-N 0 0 439.419 2.085 50 0 IEAARN COCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000004257259 562942964 /nfs/dbraw/zinc/94/29/64/562942964.db2.gz IAVWDVPKXDAVAW-UHFFFAOYSA-N 0 0 436.900 2.497 50 0 IEAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCn1nnc2ccccc2c1=O ZINC000006181502 562946443 /nfs/dbraw/zinc/94/64/43/562946443.db2.gz UDELBTXIKBYEGJ-UHFFFAOYSA-N 0 0 444.542 2.339 50 0 IEAARN CN1CCN(NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)CC1 ZINC000006878821 562948474 /nfs/dbraw/zinc/94/84/74/562948474.db2.gz KWCGBXJFGTYYJI-ZROIWOOFSA-N 0 0 429.329 2.308 50 0 IEAARN CCCCNC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O ZINC000008217099 562949161 /nfs/dbraw/zinc/94/91/61/562949161.db2.gz SUHPTWSDWWVZSM-UHFFFAOYSA-N 0 0 425.533 2.370 50 0 IEAARN CCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000008583727 562949895 /nfs/dbraw/zinc/94/98/95/562949895.db2.gz MXAKLWHHQZZVKE-UHFFFAOYSA-N 0 0 439.578 2.273 50 0 IEAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCCC3)s2)cc1OC ZINC000008588176 562950626 /nfs/dbraw/zinc/95/06/26/562950626.db2.gz XRTJRVAXMUUWLA-UHFFFAOYSA-N 0 0 426.520 2.372 50 0 IEAARN CCOc1ccccc1NC(=O)Cn1c2cnn(C)c2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000008592173 562952266 /nfs/dbraw/zinc/95/22/66/562952266.db2.gz IDHVPNPQEMHRLC-UHFFFAOYSA-N 0 0 433.468 2.232 50 0 IEAARN O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 ZINC000008600931 562955181 /nfs/dbraw/zinc/95/51/81/562955181.db2.gz DKBBPFFUCRLZFA-UHFFFAOYSA-N 0 0 443.500 2.242 50 0 IEAARN COc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 ZINC000008601551 562955429 /nfs/dbraw/zinc/95/54/29/562955429.db2.gz FIGPZSACUGCWBZ-KRWDZBQOSA-N 0 0 443.525 2.015 50 0 IEAARN COc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 ZINC000008601550 562955443 /nfs/dbraw/zinc/95/54/43/562955443.db2.gz FIGPZSACUGCWBZ-QGZVFWFLSA-N 0 0 443.525 2.015 50 0 IEAARN COc1ccc(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)cc1Cl ZINC000008614173 562959585 /nfs/dbraw/zinc/95/95/85/562959585.db2.gz FVOCHRWIYYBTNV-UHFFFAOYSA-N 0 0 437.869 2.216 50 0 IEAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000008670738 562960700 /nfs/dbraw/zinc/96/07/00/562960700.db2.gz JVXDGLFMLWZMCZ-UHFFFAOYSA-N 0 0 441.509 2.486 50 0 IEAARN CCN(C(=O)CSc1nnc2c3ccccc3n(CC)c2n1)[C@H]1CCS(=O)(=O)C1 ZINC000008687514 562963013 /nfs/dbraw/zinc/96/30/13/562963013.db2.gz SSTIOAQMTGNLIW-ZDUSSCGKSA-N 0 0 433.559 2.127 50 0 IEAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000008696073 562963756 /nfs/dbraw/zinc/96/37/56/562963756.db2.gz MNTYKPBUPXBQBR-HNNXBMFYSA-N 0 0 444.575 2.152 50 0 IEAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c1 ZINC000008811714 562964272 /nfs/dbraw/zinc/96/42/72/562964272.db2.gz FKIAYEAPUZCONO-KRWDZBQOSA-N 0 0 439.578 2.009 50 0 IEAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008877292 562965608 /nfs/dbraw/zinc/96/56/08/562965608.db2.gz NAEZQNRJBHPTCW-CVEARBPZSA-N 0 0 432.476 2.468 50 0 biogenic IEAARN C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)o1 ZINC000008901005 562965870 /nfs/dbraw/zinc/96/58/70/562965870.db2.gz WWRYNCGBVUMOKL-VIFPVBQESA-N 0 0 447.448 2.091 50 0 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COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000008964880 568877998 /nfs/dbraw/zinc/87/79/98/568877998.db2.gz OIKLFGVPHUHKLX-LJQANCHMSA-N 0 0 433.464 2.476 50 0 biogenic IEAARN O=C(CCc1ccc(F)c(Cl)c1)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1 ZINC000575606570 568878027 /nfs/dbraw/zinc/87/80/27/568878027.db2.gz PXINKPASUODMGN-UHFFFAOYSA-N 0 0 448.930 2.350 50 0 IEAARN Cc1nnc2c(N3CCC(NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)nccn12 ZINC000575605195 568878085 /nfs/dbraw/zinc/87/80/85/568878085.db2.gz BCAKAWFKBJFVJK-UHFFFAOYSA-N 0 0 440.451 2.399 50 0 IEAARN O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccccc1S(=O)(=O)C(F)F ZINC000575606012 568878202 /nfs/dbraw/zinc/87/82/02/568878202.db2.gz JAPNXDJSQNEUFJ-VIFPVBQESA-N 0 0 438.378 2.329 50 0 IEAARN COc1cccc2cc(C(=O)Nc3cc4c(cc3F)N(C)S(=O)(=O)N4C)c(=O)oc21 ZINC000575612666 568879554 /nfs/dbraw/zinc/87/95/54/568879554.db2.gz NPWDKAQXOBPSHO-UHFFFAOYSA-N 0 0 433.417 2.324 50 0 IEAARN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575614295 568879880 /nfs/dbraw/zinc/87/98/80/568879880.db2.gz YPEBOZCRAHNUBN-OAHLLOKOSA-N 0 0 435.406 2.206 50 0 IEAARN Cn1c(=O)n(C2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F ZINC000575614835 568881064 /nfs/dbraw/zinc/88/10/64/568881064.db2.gz KADYXXKKSQKUNA-CYBMUJFWSA-N 0 0 447.458 2.164 50 0 IEAARN Cc1ccc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)o1 ZINC000009590764 568884117 /nfs/dbraw/zinc/88/41/17/568884117.db2.gz LLMODNQZJPNMTH-VQHVLOKHSA-N 0 0 446.525 2.294 50 0 IEAARN CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3Cl)NC(=O)N2)C1 ZINC000226945070 568885612 /nfs/dbraw/zinc/88/56/12/568885612.db2.gz URSVRGCLIBNMAJ-SCLBCKFNSA-N 0 0 435.908 2.396 50 0 IEAARN CCCn1nc(C)cc1CN(C)c1nc2nc(=O)n(Cc3ccccc3F)c(=O)c-2c[nH]1 ZINC000090591816 568888523 /nfs/dbraw/zinc/88/85/23/568888523.db2.gz RDBXPYZZMFLTTG-UHFFFAOYSA-N 0 0 437.479 2.219 50 0 IEAARN Cc1ccc(N2CCC[C@H](C(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)C2)nn1 ZINC000090592248 568888953 /nfs/dbraw/zinc/88/89/53/568888953.db2.gz 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COc1cc(C(=O)NCC(=O)OCC(=O)Nc2cccc(C)c2C)cc(OC)c1OC ZINC000001778987 568906779 /nfs/dbraw/zinc/90/67/79/568906779.db2.gz KLYRDMQJRFKQSV-UHFFFAOYSA-N 0 0 430.457 2.241 50 0 IEAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)n(C)c1=O ZINC000013056898 568907292 /nfs/dbraw/zinc/90/72/92/568907292.db2.gz RDJNSPYPLGAYHS-UHFFFAOYSA-N 0 0 433.530 2.155 50 0 IEAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000006444636 568907319 /nfs/dbraw/zinc/90/73/19/568907319.db2.gz XQGLXWKZTLEAMA-OAHLLOKOSA-N 0 0 427.892 2.339 50 0 IEAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000241588344 568912391 /nfs/dbraw/zinc/91/23/91/568912391.db2.gz PCDWNCKINLERJN-ZWKOTPCHSA-N 0 0 430.592 2.143 50 0 IEAARN C[C@@H]1CCCN(C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3cnc2=O)C1 ZINC000245253598 568913388 /nfs/dbraw/zinc/91/33/88/568913388.db2.gz IXOGKIYOAMPHTD-IAGOWNOFSA-N 0 0 446.573 2.218 50 0 IEAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000245255091 568913626 /nfs/dbraw/zinc/91/36/26/568913626.db2.gz FLUXADHATCIBOK-TZMCWYRMSA-N 0 0 425.919 2.183 50 0 IEAARN O=C([O-])[C@@H]1[NH2+][C@H](c2ccc(Br)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000247369522 568918586 /nfs/dbraw/zinc/91/85/86/568918586.db2.gz GRUXGZCIDYZYPP-ZJIFWQFVSA-N 0 0 433.233 2.492 50 0 IEAARN CCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1c1ccco1 ZINC000026853915 568919511 /nfs/dbraw/zinc/91/95/11/568919511.db2.gz XJZORUHXGIPXLD-HXUWFJFHSA-N 0 0 427.457 2.354 50 0 IEAARN COCCCS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000089410371 568923044 /nfs/dbraw/zinc/92/30/44/568923044.db2.gz CMVVEKXNLSEYFY-UHFFFAOYSA-N 0 0 436.555 2.432 50 0 IEAARN COc1cc(CCC(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)cc(OC)c1OC ZINC000089426553 568924640 /nfs/dbraw/zinc/92/46/40/568924640.db2.gz CYOYYJGWLNALTD-UHFFFAOYSA-N 0 0 443.500 2.219 50 0 IEAARN COc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000089467118 568926411 /nfs/dbraw/zinc/92/64/11/568926411.db2.gz KNQIRRJTNPDNIE-UHFFFAOYSA-N 0 0 432.473 2.447 50 0 IEAARN Cc1nnc([C@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)c2ccccc2)[nH]1 ZINC000089497077 568926989 /nfs/dbraw/zinc/92/69/89/568926989.db2.gz QSXSQZVRUSDYOM-GOSISDBHSA-N 0 0 429.502 2.048 50 0 IEAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc32)no1 ZINC000064450633 568928670 /nfs/dbraw/zinc/92/86/70/568928670.db2.gz HLLTWCQUCODBEM-UHFFFAOYSA-N 0 0 444.469 2.367 50 0 IEAARN Cc1cc(C)c(OCC(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000006551751 568931139 /nfs/dbraw/zinc/93/11/39/568931139.db2.gz XSUGDMSSORTIID-SFHVURJKSA-N 0 0 425.547 2.206 50 0 IEAARN C[C@H](NC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1)c1ccccc1 ZINC000064565436 568932304 /nfs/dbraw/zinc/93/23/04/568932304.db2.gz BWNGMSMIDOMUDO-KRWDZBQOSA-N 0 0 437.544 2.198 50 0 IEAARN C[C@@H](NC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1)c1ccccc1 ZINC000064565437 568932355 /nfs/dbraw/zinc/93/23/55/568932355.db2.gz BWNGMSMIDOMUDO-QGZVFWFLSA-N 0 0 437.544 2.198 50 0 IEAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000064567136 568933336 /nfs/dbraw/zinc/93/33/36/568933336.db2.gz XQSLVTZCLUEJGD-UHFFFAOYSA-N 0 0 426.502 2.348 50 0 IEAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993377 568941819 /nfs/dbraw/zinc/94/18/19/568941819.db2.gz BXYAHRWNMUEPHR-JTSKRJEESA-N 0 0 442.560 2.451 50 0 IEAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000036000107 568941821 /nfs/dbraw/zinc/94/18/21/568941821.db2.gz JAQHADQQUZOYAY-BTYIYWSLSA-N 0 0 446.523 2.282 50 0 IEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C(C)C)C4CC4)CC3)nn2)cc1 ZINC000036065251 568944833 /nfs/dbraw/zinc/94/48/33/568944833.db2.gz UPSCYKPNUXOWNV-UHFFFAOYSA-N 0 0 437.544 2.448 50 0 IEAARN COc1ccc(OCCN2CC(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000036080523 568946592 /nfs/dbraw/zinc/94/65/92/568946592.db2.gz DGAIDKKDGQJMFM-FCHUYYIVSA-N 0 0 444.553 2.205 50 0 IEAARN COc1cccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)CC2CC2)c1 ZINC000036082817 568947535 /nfs/dbraw/zinc/94/75/35/568947535.db2.gz IEABVZLBHHLPJA-UHFFFAOYSA-N 0 0 428.533 2.157 50 0 IEAARN CCN(CC)C(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036085359 568947887 /nfs/dbraw/zinc/94/78/87/568947887.db2.gz IILGJAMKNZAFQA-UHFFFAOYSA-N 0 0 426.448 2.072 50 0 IEAARN Cc1ccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086505 568948077 /nfs/dbraw/zinc/94/80/77/568948077.db2.gz IXAGDIGKLUFGBG-UHFFFAOYSA-N 0 0 427.464 2.076 50 0 IEAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3cccnc3)nn(-c3ccccc3)c2=O)c1 ZINC000036086022 568948477 /nfs/dbraw/zinc/94/84/77/568948477.db2.gz PJTFXXGBNGFSMJ-UHFFFAOYSA-N 0 0 427.464 2.076 50 0 IEAARN COc1cccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccccc3)c2=O)c1 ZINC000036086115 568948479 /nfs/dbraw/zinc/94/84/79/568948479.db2.gz WNMCQMDJUYSMLM-UHFFFAOYSA-N 0 0 442.475 2.381 50 0 IEAARN COCCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036086346 568948599 /nfs/dbraw/zinc/94/85/99/568948599.db2.gz HUOLTKAUXGZYCW-UHFFFAOYSA-N 0 0 436.512 2.134 50 0 IEAARN COCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086459 568948652 /nfs/dbraw/zinc/94/86/52/568948652.db2.gz PAIGJYUDLDZVEQ-UHFFFAOYSA-N 0 0 442.903 2.089 50 0 IEAARN Cc1cccc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086848 568949136 /nfs/dbraw/zinc/94/91/36/568949136.db2.gz VATOZVYXNBBTJI-UHFFFAOYSA-N 0 0 445.454 2.215 50 0 IEAARN Cc1cccc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036086794 568949160 /nfs/dbraw/zinc/94/91/60/568949160.db2.gz BYDGRHQAKVYHEZ-UHFFFAOYSA-N 0 0 427.464 2.076 50 0 IEAARN COCCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087093 568949367 /nfs/dbraw/zinc/94/93/67/568949367.db2.gz VGIYDFACSRNUEQ-UHFFFAOYSA-N 0 0 442.903 2.171 50 0 IEAARN COc1cccc(-n2nc(C(=O)NCC(C)C)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087736 568949706 /nfs/dbraw/zinc/94/97/06/568949706.db2.gz MXQNAWLPJGHXDD-UHFFFAOYSA-N 0 0 442.903 2.490 50 0 IEAARN 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2.456 50 0 IEAARN CCn1c(=O)n(CC(=O)NCCCc2ccccc2)c(=O)c2cnc(-c3ccccc3)nc21 ZINC000065057315 569095114 /nfs/dbraw/zinc/09/51/14/569095114.db2.gz SCYITMMYUWMKFL-UHFFFAOYSA-N 0 0 443.507 2.389 50 0 IEAARN CCn1c2nc(-c3ccccc3)ncc2c(=O)n(CC(=O)Nc2ccc(OC)cc2)c1=O ZINC000065057303 569095141 /nfs/dbraw/zinc/09/51/41/569095141.db2.gz XAGYMIBBZWEVRU-UHFFFAOYSA-N 0 0 431.452 2.287 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000065061426 569096445 /nfs/dbraw/zinc/09/64/45/569096445.db2.gz QXBMWUYWQSEYOZ-CYBMUJFWSA-N 0 0 449.529 2.373 50 0 IEAARN Cc1ccc2c(c1)N(C(=O)Cn1ccn3nc(-c4ccccc4)c(CO)c3c1=O)CCO2 ZINC000169762648 569096689 /nfs/dbraw/zinc/09/66/89/569096689.db2.gz JGIKLSHIQNWHNI-UHFFFAOYSA-N 0 0 430.464 2.389 50 0 IEAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)cc2oc1=O ZINC000065075829 569099760 /nfs/dbraw/zinc/09/97/60/569099760.db2.gz PLNNBYSVJHXTIG-UHFFFAOYSA-N 0 0 443.525 2.378 50 0 IEAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4n[nH]c5c4CCCC5)ccn3n2)cc1 ZINC000169775876 569101904 /nfs/dbraw/zinc/10/19/04/569101904.db2.gz GKRLDSNWWCXSTK-UHFFFAOYSA-N 0 0 432.484 2.204 50 0 IEAARN COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC000169776995 569102278 /nfs/dbraw/zinc/10/22/78/569102278.db2.gz UIQSRURGVGZLIM-UHFFFAOYSA-N 0 0 443.891 2.028 50 0 IEAARN Cn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NCc4ccccc4)CC3)cc2oc1=O ZINC000065085872 569103221 /nfs/dbraw/zinc/10/32/21/569103221.db2.gz MASFFIIOTHIALA-UHFFFAOYSA-N 0 0 443.525 2.239 50 0 IEAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)ccc3Br)CC2)no1 ZINC000036406144 569103325 /nfs/dbraw/zinc/10/33/25/569103325.db2.gz KDLZDYMUYFSRNG-UHFFFAOYSA-N 0 0 425.258 2.281 50 0 IEAARN CCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O ZINC000065101396 569105399 /nfs/dbraw/zinc/10/53/99/569105399.db2.gz NCVREUCDYMMMHB-UHFFFAOYSA-N 0 0 438.484 2.121 50 0 IEAARN CNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O ZINC000065101570 569105796 /nfs/dbraw/zinc/10/57/96/569105796.db2.gz RFKCZZGVXFWEIR-UHFFFAOYSA-N 0 0 428.876 2.376 50 0 IEAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccco4)CC3)n2)cc1 ZINC000065111469 569106473 /nfs/dbraw/zinc/10/64/73/569106473.db2.gz IXRYMVQVIFTMRX-UHFFFAOYSA-N 0 0 437.456 2.424 50 0 IEAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)C1 ZINC000065115190 569106798 /nfs/dbraw/zinc/10/67/98/569106798.db2.gz ANXORJPYPSCAFY-CQSZACIVSA-N 0 0 435.502 2.028 50 0 IEAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1 ZINC000065115846 569107059 /nfs/dbraw/zinc/10/70/59/569107059.db2.gz APHIXNMRLTXEOK-UHFFFAOYSA-N 0 0 435.502 2.444 50 0 biogenic IEAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)c(C)cc2NC1=O ZINC000169793969 569108262 /nfs/dbraw/zinc/10/82/62/569108262.db2.gz ACNUYWGJOUTUSG-NVXWUHKLSA-N 0 0 435.546 2.128 50 0 IEAARN CCOc1ccccc1CNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114013 569108717 /nfs/dbraw/zinc/10/87/17/569108717.db2.gz NPFOYYTUEDDEJJ-UHFFFAOYSA-N 0 0 430.486 2.316 50 0 IEAARN O=c1n2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2nn1Cc1ccc(F)cc1 ZINC000065129296 569108808 /nfs/dbraw/zinc/10/88/08/569108808.db2.gz QOICAAHBYDDMGY-UHFFFAOYSA-N 0 0 438.484 2.430 50 0 IEAARN COc1ccc(OC)c(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 ZINC000006924475 569109837 /nfs/dbraw/zinc/10/98/37/569109837.db2.gz VZPMYYABCZAOLW-UHFFFAOYSA-N 0 0 428.532 2.112 50 0 IEAARN COc1ccc(Cl)cc1NC(=O)Cn1ncc2c(c1=O)N(CC1CC1)C(=O)CS2 ZINC000065132798 569109984 /nfs/dbraw/zinc/10/99/84/569109984.db2.gz JSRRNWNSGSZBCA-UHFFFAOYSA-N 0 0 434.905 2.393 50 0 IEAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CN3CCNC(=O)C3)nc(=O)c12 ZINC000036447012 569111194 /nfs/dbraw/zinc/11/11/94/569111194.db2.gz XVUODSZDUOUHNZ-UHFFFAOYSA-N 0 0 425.514 2.094 50 0 IEAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cnc(N3CCSCC3)nc2)CC1 ZINC000065166900 569112574 /nfs/dbraw/zinc/11/25/74/569112574.db2.gz DTTKBOXPYPKHNW-UHFFFAOYSA-N 0 0 441.557 2.291 50 0 IEAARN CCCN1CCN(C(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)CC1 ZINC000065183434 569113860 /nfs/dbraw/zinc/11/38/60/569113860.db2.gz MBRQZXJZHJGBFJ-UHFFFAOYSA-N 0 0 427.530 2.183 50 0 IEAARN Cc1cccc(Cn2c(=O)c3nscc3n(CC(=O)NCc3cccs3)c2=O)c1 ZINC000065184923 569114103 /nfs/dbraw/zinc/11/41/03/569114103.db2.gz DKKARBHLNGKTAN-UHFFFAOYSA-N 0 0 426.523 2.354 50 0 IEAARN O=c1n2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2nn1Cc1cccc(F)c1 ZINC000065198739 569114946 /nfs/dbraw/zinc/11/49/46/569114946.db2.gz ODKBCOPZTQYVIA-UHFFFAOYSA-N 0 0 438.484 2.430 50 0 IEAARN COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2nc(CN3CCOCC3)cs2)CC1 ZINC000065200737 569115217 /nfs/dbraw/zinc/11/52/17/569115217.db2.gz FNWNPDBMLBGMKI-KRWDZBQOSA-N 0 0 446.573 2.100 50 0 IEAARN Cn1c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)cnc2n(-c2ccccc2)c1=O ZINC000065197082 569115924 /nfs/dbraw/zinc/11/59/24/569115924.db2.gz XDNYMPACBWGIDA-UHFFFAOYSA-N 0 0 430.420 2.108 50 0 IEAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987500 569116237 /nfs/dbraw/zinc/11/62/37/569116237.db2.gz SIZWEAWOZWFDFF-UHFFFAOYSA-N 0 0 432.565 2.272 50 0 IEAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1F)CC2 ZINC000065210621 569116328 /nfs/dbraw/zinc/11/63/28/569116328.db2.gz AYTWGHWAGWTZGM-UHFFFAOYSA-N 0 0 447.532 2.029 50 0 IEAARN Cc1nn2c(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)c(C)nc2s1 ZINC000065216845 569117027 /nfs/dbraw/zinc/11/70/27/569117027.db2.gz XKXWUSLEUKRQCM-INIZCTEOSA-N 0 0 447.586 2.433 50 0 IEAARN COc1ccc(NC(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccc(F)c4)C[C@H](C2)O3)cc1 ZINC000065225186 569117797 /nfs/dbraw/zinc/11/77/97/569117797.db2.gz HUKBISXPODROFG-HDICACEKSA-N 0 0 435.477 2.140 50 0 IEAARN C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000036569501 569118659 /nfs/dbraw/zinc/11/86/59/569118659.db2.gz WAYPQJPVLILPNY-FOIQADDNSA-N 0 0 429.904 2.333 50 0 IEAARN CSCC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000036596900 569118709 /nfs/dbraw/zinc/11/87/09/569118709.db2.gz UREICCCUUVWLGW-QAPCUYQASA-N 0 0 426.498 2.001 50 0 IEAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1 ZINC000036580075 569119762 /nfs/dbraw/zinc/11/97/62/569119762.db2.gz PNXQQOMGZHGYDR-OAQYLSRUSA-N 0 0 434.496 2.420 50 0 IEAARN C=C1C(N2CCC(NC(=O)c3ccn(CC)n3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239149 569120032 /nfs/dbraw/zinc/12/00/32/569120032.db2.gz DXZVAZKAVOFZKI-UHFFFAOYSA-N 0 0 427.530 2.270 50 0 IEAARN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000036594769 569121418 /nfs/dbraw/zinc/12/14/18/569121418.db2.gz SUBBBFBYXBEEFD-KDOFPFPSSA-N 0 0 432.502 2.090 50 0 IEAARN COc1ccc(CN2CCN(S(=O)(=O)c3cn(C(F)F)nc3C)CC2)c(OC)c1 ZINC000036614949 569122461 /nfs/dbraw/zinc/12/24/61/569122461.db2.gz YALFJCIBZKGEJR-UHFFFAOYSA-N 0 0 430.477 2.110 50 0 IEAARN O=C(NCc1ccccc1F)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254293 569122564 /nfs/dbraw/zinc/12/25/64/569122564.db2.gz PRWSECMXEOAWBL-UHFFFAOYSA-N 0 0 429.477 2.121 50 0 IEAARN O=C(NCCc1ccccn1)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259783 569124825 /nfs/dbraw/zinc/12/48/25/569124825.db2.gz ONHHRVFUHYYLJL-HXUWFJFHSA-N 0 0 428.558 2.407 50 0 biogenic IEAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000013130277 569125306 /nfs/dbraw/zinc/12/53/06/569125306.db2.gz LQRUVCLHPDAMLT-GOSISDBHSA-N 0 0 425.348 2.489 50 0 IEAARN COc1cc2c(cc1OC)[C@H](NC(=O)Cn1cnc3cc(OC)c(OC)cc3c1=O)CC2 ZINC000524729943 569125950 /nfs/dbraw/zinc/12/59/50/569125950.db2.gz OZHOEJFDVLCYKR-MRXNPFEDSA-N 0 0 439.468 2.235 50 0 biogenic IEAARN COc1cc([C@H](CC(=O)N[C@@H]2CN3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730749 569126062 /nfs/dbraw/zinc/12/60/62/569126062.db2.gz VZAONEAAWRGSAA-DLBZAZTESA-N 0 0 428.485 2.100 50 0 biogenic IEAARN COc1cc([C@@H](CC(=O)NCCCn2cccn2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730946 569126324 /nfs/dbraw/zinc/12/63/24/569126324.db2.gz DCZWXJHWKSCNLN-MRXNPFEDSA-N 0 0 427.457 2.293 50 0 biogenic IEAARN CC(C)CCn1cnc2ccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc2c1=O ZINC000524733054 569126942 /nfs/dbraw/zinc/12/69/42/569126942.db2.gz PFRQEZIGXBLESI-UHFFFAOYSA-N 0 0 433.468 2.497 50 0 IEAARN Cc1noc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000524735261 569128153 /nfs/dbraw/zinc/12/81/53/569128153.db2.gz MJEHBWYVOLBQBH-NRFANRHFSA-N 0 0 431.452 2.242 50 0 IEAARN CCCNc1cc(N2CCC(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)ncn1 ZINC000065274083 569128431 /nfs/dbraw/zinc/12/84/31/569128431.db2.gz FZHNRGOJEGVRFN-UHFFFAOYSA-N 0 0 438.580 2.434 50 0 IEAARN C=C1C(N2CCCN(C(=O)NCCCOC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271912 569128751 /nfs/dbraw/zinc/12/87/51/569128751.db2.gz DLAOZINNBCTVOM-UHFFFAOYSA-N 0 0 438.525 2.052 50 0 IEAARN COC(=O)c1cccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c1 ZINC000065273389 569129522 /nfs/dbraw/zinc/12/95/22/569129522.db2.gz MWJSOLCEJWQIER-HNNXBMFYSA-N 0 0 442.541 2.342 50 0 IEAARN CCOc1ncccc1C(=O)NCCn1ncc2c1ncn(Cc1ccc(C)cc1)c2=O ZINC000036654041 569130296 /nfs/dbraw/zinc/13/02/96/569130296.db2.gz KYEMRLVIEWYPCF-UHFFFAOYSA-N 0 0 432.484 2.173 50 0 IEAARN 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O=C(Cc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000040017309 569482601 /nfs/dbraw/zinc/48/26/01/569482601.db2.gz CZKLDJDKUQFYCG-AWEZNQCLSA-N 0 0 425.890 2.463 50 0 IEAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000040033884 569483153 /nfs/dbraw/zinc/48/31/53/569483153.db2.gz KEPUEGBEYSYPEC-FQEVSTJZSA-N 0 0 447.963 2.347 50 0 IEAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000008900674 569484151 /nfs/dbraw/zinc/48/41/51/569484151.db2.gz MSYPGFDKTSCLAM-LBPRGKRZSA-N 0 0 431.543 2.157 50 0 IEAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000008900669 569484183 /nfs/dbraw/zinc/48/41/83/569484183.db2.gz MSYPGFDKTSCLAM-GFCCVEGCSA-N 0 0 431.543 2.157 50 0 IEAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000040050656 569484228 /nfs/dbraw/zinc/48/42/28/569484228.db2.gz LJUFBHDVDXKGQB-IAGOWNOFSA-N 0 0 430.526 2.462 50 0 IEAARN Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 ZINC000008901735 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C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cc(Br)ccc1Br ZINC000040135535 569490598 /nfs/dbraw/zinc/49/05/98/569490598.db2.gz XRVKYIOAJDEZSD-DTWKUNHWSA-N 0 0 440.157 2.486 50 0 IEAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2nc(N3CCCCC3)ncc2Cl)cc1 ZINC000040135764 569490739 /nfs/dbraw/zinc/49/07/39/569490739.db2.gz LCKVLSDHYUMIPW-UHFFFAOYSA-N 0 0 437.953 2.100 50 0 IEAARN O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCN(CCSc2ccccc2)CC1 ZINC000040139422 569490895 /nfs/dbraw/zinc/49/08/95/569490895.db2.gz ZHFNIVHEFSIBCY-UHFFFAOYSA-N 0 0 426.517 2.472 50 0 IEAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000008964876 569491229 /nfs/dbraw/zinc/49/12/29/569491229.db2.gz LGLFXGWEPQOXGU-IBGZPJMESA-N 0 0 433.464 2.476 50 0 biogenic IEAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC1CCCC1 ZINC000040140701 569491590 /nfs/dbraw/zinc/49/15/90/569491590.db2.gz HBNWHHIOMCZVCR-UHFFFAOYSA-N 0 0 426.535 2.392 50 0 IEAARN CN1CCN(C(=O)CCNC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000040145545 569492154 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557184499 /nfs/dbraw/zinc/18/44/99/557184499.db2.gz IUBWMGAYWZPBAM-SNVBAGLBSA-N 0 0 434.909 2.477 50 0 IEAARN Cc1ccc(CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)S(C)(=O)=O)cc1 ZINC000000784270 557184815 /nfs/dbraw/zinc/18/48/15/557184815.db2.gz NPLCVAJTJDICPA-UHFFFAOYSA-N 0 0 429.542 2.299 50 0 IEAARN Cc1nnc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)s1 ZINC000009263941 557185222 /nfs/dbraw/zinc/18/52/22/557185222.db2.gz ORDZHROMQZXOMU-VIFPVBQESA-N 0 0 435.510 2.336 50 0 IEAARN COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000218260842 557185783 /nfs/dbraw/zinc/18/57/83/557185783.db2.gz XGHVJLGKDQMOEO-MRXNPFEDSA-N 0 0 439.411 2.474 50 0 IEAARN O=C(CSC(F)(F)F)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000100836954 557191004 /nfs/dbraw/zinc/19/10/04/557191004.db2.gz JWUYUANMBHNWCK-HNNXBMFYSA-N 0 0 429.464 2.148 50 0 IEAARN COc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000025053124 557191758 /nfs/dbraw/zinc/19/17/58/557191758.db2.gz MSRMGLJATXHJFT-UHFFFAOYSA-N 0 0 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Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2CN2CCOCC2)no1 ZINC000024379556 557224028 /nfs/dbraw/zinc/22/40/28/557224028.db2.gz YOBNCXJTWVHJAP-INIZCTEOSA-N 0 0 432.546 2.192 50 0 IEAARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010717351 557224343 /nfs/dbraw/zinc/22/43/43/557224343.db2.gz XFTXRSNRNPPFGJ-UHFFFAOYSA-N 0 0 446.481 2.385 50 0 IEAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)nc(C)n3[C@@H]2CCS(=O)(=O)C2)C1 ZINC000072301649 557226245 /nfs/dbraw/zinc/22/62/45/557226245.db2.gz RSFVDEBDDGWGPF-ZWKOTPCHSA-N 0 0 446.573 2.083 50 0 IEAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000011062165 557226716 /nfs/dbraw/zinc/22/67/16/557226716.db2.gz RVOPZYQEOORUQK-STQMWFEESA-N 0 0 425.938 2.424 50 0 IEAARN CCn1cc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)c(C)n1 ZINC000017100694 557226883 /nfs/dbraw/zinc/22/68/83/557226883.db2.gz CHOOOFWUNPYFQN-YOEHRIQHSA-N 0 0 436.582 2.014 50 0 IEAARN CCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C 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ZINC000015679348 568805167 /nfs/dbraw/zinc/80/51/67/568805167.db2.gz SXVRAJJYTVMICM-UHFFFAOYSA-N 0 0 447.543 2.283 50 0 IEAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1c1ccc(Cl)cc1 ZINC000015680236 568805851 /nfs/dbraw/zinc/80/58/51/568805851.db2.gz QPEVAGXODWNXJA-FQEVSTJZSA-N 0 0 435.933 2.023 50 0 IEAARN Cc1ccc(Cl)cc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000015680241 568806133 /nfs/dbraw/zinc/80/61/33/568806133.db2.gz RJABPNGIJLZQTO-OAQYLSRUSA-N 0 0 449.960 2.332 50 0 IEAARN Cc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(F)cc2)c1C ZINC000015680265 568806146 /nfs/dbraw/zinc/80/61/46/568806146.db2.gz HWBWPLGEUIHTHK-JOCHJYFZSA-N 0 0 447.532 2.126 50 0 IEAARN CCCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000015680649 568806326 /nfs/dbraw/zinc/80/63/26/568806326.db2.gz ISSQNRSNBMDMBJ-UHFFFAOYSA-N 0 0 441.351 2.337 50 0 IEAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)c(OC)c1 ZINC000015725796 568812272 /nfs/dbraw/zinc/81/22/72/568812272.db2.gz DEBKFQPNBJDZNE-UHFFFAOYSA-N 0 0 437.493 2.234 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000015729997 568813502 /nfs/dbraw/zinc/81/35/02/568813502.db2.gz IRROEGVMGJPOBI-UHFFFAOYSA-N 0 0 431.558 2.048 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000015729996 568813868 /nfs/dbraw/zinc/81/38/68/568813868.db2.gz FDHPCEQAGPTGID-UHFFFAOYSA-N 0 0 431.558 2.048 50 0 IEAARN CCc1nn2c(nc(CSc3nc(-c4ccccc4)nc4cc(=O)[nH]n43)cc2=O)s1 ZINC000015732540 568815244 /nfs/dbraw/zinc/81/52/44/568815244.db2.gz PMGBRGYOQAAFEE-UHFFFAOYSA-N 0 0 437.510 2.404 50 0 IEAARN CCc1nn2c(nc(COC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2=O)s1 ZINC000015733901 568816098 /nfs/dbraw/zinc/81/60/98/568816098.db2.gz AFKXCYGVONJCTF-UHFFFAOYSA-N 0 0 428.514 2.484 50 0 IEAARN COc1cc(-c2c3cnn(C(C)C)c3nc3c2sc(=O)n3CC(N)=O)cc2c1OCO2 ZINC000085412745 568818746 /nfs/dbraw/zinc/81/87/46/568818746.db2.gz IVKSHCZJQSURIF-UHFFFAOYSA-N 0 0 441.469 2.278 50 0 IEAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000108848554 568821709 /nfs/dbraw/zinc/82/17/09/568821709.db2.gz PSAVKVASRZKACH-VPZZIHKRSA-N 0 0 447.454 2.220 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCc1ccc(C)o1 ZINC000015775671 568823472 /nfs/dbraw/zinc/82/34/72/568823472.db2.gz BKSYHFUWUAHIPR-OAQYLSRUSA-N 0 0 445.541 2.357 50 0 IEAARN Cc1nn(CCC(=O)NCc2nc3cc(C)ccc3[nH]2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000015777538 568824796 /nfs/dbraw/zinc/82/47/96/568824796.db2.gz DCQCAMJGZKMPKK-UHFFFAOYSA-N 0 0 444.561 2.176 50 0 IEAARN Cc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)nc1 ZINC000085644725 568829608 /nfs/dbraw/zinc/82/96/08/568829608.db2.gz IPGPRYKGUPTSIT-UHFFFAOYSA-N 0 0 428.518 2.338 50 0 IEAARN CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCCCC2)c1 ZINC000085650893 568830867 /nfs/dbraw/zinc/83/08/67/568830867.db2.gz YDXOJSGTBGDBTQ-UHFFFAOYSA-N 0 0 436.509 2.429 50 0 IEAARN CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)CC(=O)N(C)C3CCCCC3)c[nH]2)CC1 ZINC000085650875 568830949 /nfs/dbraw/zinc/83/09/49/568830949.db2.gz AFNXBOJBXZYINF-UHFFFAOYSA-N 0 0 438.594 2.298 50 0 IEAARN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000085650954 568831695 /nfs/dbraw/zinc/83/16/95/568831695.db2.gz JBDIVNNYRYPYME-HNNXBMFYSA-N 0 0 448.520 2.429 50 0 IEAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1 ZINC000085654188 568832350 /nfs/dbraw/zinc/83/23/50/568832350.db2.gz FVTMCJSXBSGGFA-UHFFFAOYSA-N 0 0 442.516 2.499 50 0 IEAARN Cc1cccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1 ZINC000085654228 568832440 /nfs/dbraw/zinc/83/24/40/568832440.db2.gz DLKQUPXHDRJVIB-UHFFFAOYSA-N 0 0 428.489 2.191 50 0 IEAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)ccc2=O)cc1 ZINC000085654467 568832756 /nfs/dbraw/zinc/83/27/56/568832756.db2.gz URJCTVWIDNZWGT-UHFFFAOYSA-N 0 0 446.479 2.330 50 0 IEAARN COc1ccc(CC(=O)N2CCN(c3ccc(=O)n(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000085654486 568832762 /nfs/dbraw/zinc/83/27/62/568832762.db2.gz FHKAVOBRRLMHNC-UHFFFAOYSA-N 0 0 434.496 2.141 50 0 IEAARN O=c1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1-c1ccccc1 ZINC000085654350 568833466 /nfs/dbraw/zinc/83/34/66/568833466.db2.gz DAHYPKGYCGZGAV-UHFFFAOYSA-N 0 0 432.452 2.022 50 0 IEAARN Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc2=O)cc1 ZINC000085654416 568833776 /nfs/dbraw/zinc/83/37/76/568833776.db2.gz QUXQRNOEBQIFEV-UHFFFAOYSA-N 0 0 428.489 2.191 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000085654398 568833805 /nfs/dbraw/zinc/83/38/05/568833805.db2.gz VWXSRQKKHVBEPM-UHFFFAOYSA-N 0 0 449.920 2.002 50 0 IEAARN O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000085654687 568833891 /nfs/dbraw/zinc/83/38/91/568833891.db2.gz UTTUQUWWJOWTOL-UHFFFAOYSA-N 0 0 438.919 2.450 50 0 IEAARN O=C(c1ccccc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000015787099 568836790 /nfs/dbraw/zinc/83/67/90/568836790.db2.gz NDPAOCPDDUEZEG-UHFFFAOYSA-N 0 0 427.302 2.415 50 0 IEAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1F ZINC000015825993 568840692 /nfs/dbraw/zinc/84/06/92/568840692.db2.gz BKVJACLMCPSNFZ-UHFFFAOYSA-N 0 0 441.868 2.378 50 0 IEAARN O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015858514 568846579 /nfs/dbraw/zinc/84/65/79/568846579.db2.gz HYOHDOLRQQYKAE-UHFFFAOYSA-N 0 0 433.917 2.369 50 0 IEAARN COc1ccc(-c2cc(C(=O)NCc3ccccn3)[nH]n2)cc1S(=O)(=O)N1CCCC1 ZINC000015860807 568848032 /nfs/dbraw/zinc/84/80/32/568848032.db2.gz DCHUMBYSVRQSDG-UHFFFAOYSA-N 0 0 441.513 2.195 50 0 IEAARN Cc1ccc2oc(CN3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)nc2c1 ZINC000015864029 568849569 /nfs/dbraw/zinc/84/95/69/568849569.db2.gz SLNWAHUQQJZPJS-UHFFFAOYSA-N 0 0 442.497 2.088 50 0 IEAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c(OC)c1OC ZINC000015867961 568851472 /nfs/dbraw/zinc/85/14/72/568851472.db2.gz GHXZIXJCXANAJO-CQSZACIVSA-N 0 0 449.471 2.427 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c(C)c1 ZINC000015884108 568857869 /nfs/dbraw/zinc/85/78/69/568857869.db2.gz CLDUYYCPIXDXJX-UHFFFAOYSA-N 0 0 449.540 2.338 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1C ZINC000015884107 568857982 /nfs/dbraw/zinc/85/79/82/568857982.db2.gz GKSYQOIBQNFCQW-UHFFFAOYSA-N 0 0 449.540 2.338 50 0 IEAARN C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)=C\c1ccccc1 ZINC000015934685 568858911 /nfs/dbraw/zinc/85/89/11/568858911.db2.gz GRCCYFLXSRGXKD-PDKLKJKLSA-N 0 0 435.492 2.038 50 0 IEAARN CN1c2ccccc2N(C2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)S1(=O)=O ZINC000575414125 568860857 /nfs/dbraw/zinc/86/08/57/568860857.db2.gz SASQNEHDOQKUNP-UHFFFAOYSA-N 0 0 438.513 2.073 50 0 IEAARN CN1c2ccccc2N(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)S1(=O)=O ZINC000575414169 568861123 /nfs/dbraw/zinc/86/11/23/568861123.db2.gz FVECADQKKYCAGC-UHFFFAOYSA-N 0 0 429.527 2.497 50 0 IEAARN COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000015967663 568861189 /nfs/dbraw/zinc/86/11/89/568861189.db2.gz SVLBGGTVMQBQQR-NHCUHLMSSA-N 0 0 427.570 2.264 50 0 IEAARN COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000016047670 568869129 /nfs/dbraw/zinc/86/91/29/568869129.db2.gz RSHDRKKFZPMAQO-INIZCTEOSA-N 0 0 443.500 2.368 50 0 IEAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012942933 568870061 /nfs/dbraw/zinc/87/00/61/568870061.db2.gz NVLGZNSNMRNKAH-IBGZPJMESA-N 0 0 432.517 2.350 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(F)cc(F)c3)CC2)cc1 ZINC000012947178 568871284 /nfs/dbraw/zinc/87/12/84/568871284.db2.gz GTTULGQAICZIAC-UHFFFAOYSA-N 0 0 446.497 2.105 50 0 IEAARN O=C(NCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)Nc1ccccc1 ZINC000012952286 568872205 /nfs/dbraw/zinc/87/22/05/568872205.db2.gz UHKBHYQZNRVNQO-QGZVFWFLSA-N 0 0 435.484 2.252 50 0 IEAARN Cc1oc2cc(OCC(=O)NCCO)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000016249038 568874946 /nfs/dbraw/zinc/87/49/46/568874946.db2.gz QPAXWTRDTOZWPM-UHFFFAOYSA-N 0 0 425.437 2.417 50 0 IEAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1nc(OC)nc(N2CCCCC2)n1 ZINC000575608660 568878402 /nfs/dbraw/zinc/87/84/02/568878402.db2.gz XHHFUTSCQYABMU-UHFFFAOYSA-N 0 0 427.914 2.011 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1 ZINC000575608749 568878415 /nfs/dbraw/zinc/87/84/15/568878415.db2.gz XXXFUDBLIYFJFL-UHFFFAOYSA-N 0 0 429.420 2.254 50 0 IEAARN CCn1cc(C(=O)Nc2cc3c(cc2F)N(C)S(=O)(=O)N3C)c(=O)c2ccc(C)nc21 ZINC000575610911 568878946 /nfs/dbraw/zinc/87/89/46/568878946.db2.gz CDSMNHITEYAERS-UHFFFAOYSA-N 0 0 445.476 2.247 50 0 IEAARN CN1c2cc(F)c(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2N(C)S1(=O)=O ZINC000575610974 568879104 /nfs/dbraw/zinc/87/91/04/568879104.db2.gz CTESIHKQHUUJNH-CYBMUJFWSA-N 0 0 428.486 2.295 50 0 IEAARN C[C@@H](C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1)n1nc(-c2cccs2)ccc1=O ZINC000575621630 568883232 /nfs/dbraw/zinc/88/32/32/568883232.db2.gz ZZPGPDTYGULHLS-HNNXBMFYSA-N 0 0 436.541 2.160 50 0 IEAARN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)C[C@H](C)O1 ZINC000229832472 568886996 /nfs/dbraw/zinc/88/69/96/568886996.db2.gz 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Cc1cn2c(nc3c2c(=O)n(CC(=O)c2ccc(F)cc2)c(=O)n3C)n1Cc1ccco1 ZINC000006444637 568907241 /nfs/dbraw/zinc/90/72/41/568907241.db2.gz UIVVSBVOCVHKKM-UHFFFAOYSA-N 0 0 435.415 2.121 50 0 IEAARN NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000001786188 568907680 /nfs/dbraw/zinc/90/76/80/568907680.db2.gz NSSUJFWXAHDTDQ-UHFFFAOYSA-N 0 0 426.281 2.419 50 0 IEAARN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1OC ZINC000245226017 568912856 /nfs/dbraw/zinc/91/28/56/568912856.db2.gz DMYOOPSREMVGOU-FROCWPDGSA-N 0 0 433.464 2.135 50 0 IEAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000245324835 568914830 /nfs/dbraw/zinc/91/48/30/568914830.db2.gz AGIHIDZNRIRCTO-BFFGJUFNSA-N 0 0 445.947 2.472 50 0 IEAARN COc1cc(C)c(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(C)cc1 ZINC000054093201 568917852 /nfs/dbraw/zinc/91/78/52/568917852.db2.gz XIJYJJROVXHSKQ-RXVVDRJESA-N 0 0 437.583 2.350 50 0 IEAARN 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2.282 50 0 IEAARN Cc1cc2nn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)n2c(-c2ccccc2)n1 ZINC000065196523 569115637 /nfs/dbraw/zinc/11/56/37/569115637.db2.gz IRORJTITLAXCIU-UHFFFAOYSA-N 0 0 446.486 2.354 50 0 IEAARN COCc1cc2nn(CC(=O)NCc3ccc(F)cc3F)c(=O)n2c(-c2ccccc2)n1 ZINC000065196605 569115820 /nfs/dbraw/zinc/11/58/20/569115820.db2.gz ZJUNENBJSQECDA-UHFFFAOYSA-N 0 0 439.422 2.299 50 0 IEAARN COCc1cc2nn(CC(=O)Nc3ccc(OC)c(F)c3)c(=O)n2c(-c2ccccc2)n1 ZINC000065196597 569115830 /nfs/dbraw/zinc/11/58/30/569115830.db2.gz SWTGAGSBXSDAEY-UHFFFAOYSA-N 0 0 437.431 2.491 50 0 IEAARN COc1ccc(-n2c3ncc(C(=O)Nc4cccc(OC)c4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197107 569115931 /nfs/dbraw/zinc/11/59/31/569115931.db2.gz SMVBOHZDJGSXDJ-UHFFFAOYSA-N 0 0 432.436 2.354 50 0 IEAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000065212610 569116839 /nfs/dbraw/zinc/11/68/39/569116839.db2.gz CUJORASAYYTVNH-UHFFFAOYSA-N 0 0 441.509 2.283 50 0 IEAARN CC1CCN(S(=O)(=O)c2cccn(Cc3ccc(N4CCCC4=O)cc3)c2=O)CC1 ZINC000065213692 569116940 /nfs/dbraw/zinc/11/69/40/569116940.db2.gz RJXXTSOBJJNPCB-UHFFFAOYSA-N 0 0 429.542 2.444 50 0 IEAARN COc1ccc(-c2nnc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)o2)cc1 ZINC000065229659 569118234 /nfs/dbraw/zinc/11/82/34/569118234.db2.gz SOLOWDNLCXDOIS-UHFFFAOYSA-N 0 0 428.489 2.327 50 0 biogenic IEAARN C=C1C(N2CCC(NC(=O)[C@@H]3CCOC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239225 569120221 /nfs/dbraw/zinc/12/02/21/569120221.db2.gz SUBBSVHCBSRCBD-GOSISDBHSA-N 0 0 431.558 2.393 50 0 IEAARN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000036589851 569121086 /nfs/dbraw/zinc/12/10/86/569121086.db2.gz MKTKLCLKUIBEIR-PZJWPPBQSA-N 0 0 428.554 2.263 50 0 IEAARN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC ZINC000036589911 569121175 /nfs/dbraw/zinc/12/11/75/569121175.db2.gz SBXSDULAFLHQOV-CRAIPNDOSA-N 0 0 448.545 2.379 50 0 IEAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C1=O ZINC000007023843 569121434 /nfs/dbraw/zinc/12/14/34/569121434.db2.gz BXHQHIHLEYCRGC-NXHTTZLHSA-N 0 0 427.501 2.264 50 0 IEAARN O=C(c1nc(-c2ccnc(N3CCOCC3)c2)no1)N1CCN(c2ccccc2F)CC1 ZINC000065245978 569121856 /nfs/dbraw/zinc/12/18/56/569121856.db2.gz NBOIQBQQKDFNEY-UHFFFAOYSA-N 0 0 438.463 2.070 50 0 IEAARN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)cn21 ZINC000065247268 569121881 /nfs/dbraw/zinc/12/18/81/569121881.db2.gz NUKAGHHPJNMCMO-UHFFFAOYSA-N 0 0 449.964 2.243 50 0 IEAARN COc1ccc(CN2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1OC ZINC000036614912 569122452 /nfs/dbraw/zinc/12/24/52/569122452.db2.gz VENJRVNASYADNW-UHFFFAOYSA-N 0 0 444.504 2.419 50 0 IEAARN Cc1ccccc1CNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254303 569122528 /nfs/dbraw/zinc/12/25/28/569122528.db2.gz FCDOCONRQIKRNC-UHFFFAOYSA-N 0 0 425.514 2.290 50 0 IEAARN CNC(=O)N1CCC(n2c(C)nc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C)CC1 ZINC000065257467 569123448 /nfs/dbraw/zinc/12/34/48/569123448.db2.gz DCGJGESZAHFZCE-UHFFFAOYSA-N 0 0 438.576 2.434 50 0 IEAARN CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000036611208 569123488 /nfs/dbraw/zinc/12/34/88/569123488.db2.gz BEGHBGZKRMZFFI-UHFFFAOYSA-N 0 0 446.525 2.046 50 0 IEAARN CC(C)N1CCCn2cc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1=O ZINC000065258827 569124743 /nfs/dbraw/zinc/12/47/43/569124743.db2.gz BOWJFYCZFYPNOJ-UHFFFAOYSA-N 0 0 432.546 2.380 50 0 IEAARN O=C(NCCc1ccccn1)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259782 569124767 /nfs/dbraw/zinc/12/47/67/569124767.db2.gz ONHHRVFUHYYLJL-FQEVSTJZSA-N 0 0 428.558 2.407 50 0 biogenic IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCc4cccnc4)c3c2)C1 ZINC000008662063 569127286 /nfs/dbraw/zinc/12/72/86/569127286.db2.gz YGOMDAFNBDLXGL-OAHLLOKOSA-N 0 0 440.525 2.274 50 0 IEAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2c(F)cccc2Cl)no1 ZINC000524734782 569127929 /nfs/dbraw/zinc/12/79/29/569127929.db2.gz NOFQRVKUTCIHDN-AWEZNQCLSA-N 0 0 443.822 2.286 50 0 IEAARN Cc1sc(-n2cnnn2)c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000524735567 569128170 /nfs/dbraw/zinc/12/81/70/569128170.db2.gz KRGKLONXDJOSSR-UHFFFAOYSA-N 0 0 426.502 2.027 50 0 IEAARN CCOC(=O)N1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)CC1 ZINC000065274120 569128381 /nfs/dbraw/zinc/12/83/81/569128381.db2.gz GFXKIALXENYRRB-UHFFFAOYSA-N 0 0 430.553 2.348 50 0 IEAARN C=C1C(N2CCCN(C(=O)NCCCOC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271910 569128746 /nfs/dbraw/zinc/12/87/46/569128746.db2.gz DWQUVZCZPGUUSA-UHFFFAOYSA-N 0 0 448.589 2.476 50 0 IEAARN C=C1C(N2CCCN(S(=O)(=O)C(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065272009 569128814 /nfs/dbraw/zinc/12/88/14/569128814.db2.gz QTVQHSFHGJMHLW-UHFFFAOYSA-N 0 0 439.603 2.468 50 0 IEAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272830 569129176 /nfs/dbraw/zinc/12/91/76/569129176.db2.gz SSBNUVLMPZLGPL-OAHLLOKOSA-N 0 0 428.510 2.371 50 0 IEAARN CCCn1cc(CNC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c(C)n1 ZINC000065273427 569129444 /nfs/dbraw/zinc/12/94/44/569129444.db2.gz BCWLFXSFCUVECQ-KRWDZBQOSA-N 0 0 444.605 2.148 50 0 IEAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3nc4ccncc4n(C)c3=O)CC2)c1C ZINC000065292726 569130708 /nfs/dbraw/zinc/13/07/08/569130708.db2.gz NXUHKTIGCRDNOC-UHFFFAOYSA-N 0 0 441.557 2.073 50 0 IEAARN COc1ccccc1N1CCN(C(=O)Cn2ncc3c2ncnc3N2CCCCC2)CC1 ZINC000065295053 569131325 /nfs/dbraw/zinc/13/13/25/569131325.db2.gz VILGYDSVIVBGGM-UHFFFAOYSA-N 0 0 435.532 2.174 50 0 IEAARN Cc1ccccc1CNC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295846 569131445 /nfs/dbraw/zinc/13/14/45/569131445.db2.gz MNTPXDMZQMYFEQ-UHFFFAOYSA-N 0 0 442.527 2.173 50 0 IEAARN CC(C)Cn1c2nn(CC(=O)NCc3ccccc3Cl)c(=O)n2c2ccsc2c1=O ZINC000065305218 569133055 /nfs/dbraw/zinc/13/30/55/569133055.db2.gz VJJACWVJGMXFNQ-UHFFFAOYSA-N 0 0 445.932 2.498 50 0 IEAARN COc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2CC(C)C)c1=O ZINC000065305225 569133066 /nfs/dbraw/zinc/13/30/66/569133066.db2.gz XRJQAJNXBQBGCS-UHFFFAOYSA-N 0 0 427.486 2.176 50 0 IEAARN Cc1ccc(CNC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1 ZINC000065305230 569133074 /nfs/dbraw/zinc/13/30/74/569133074.db2.gz YRNRKJATSXWMNV-UHFFFAOYSA-N 0 0 425.514 2.153 50 0 IEAARN CCCCn1c2nn(CC(=O)NCc3ccc(C)cc3)c(=O)n2c2ccsc2c1=O ZINC000065305312 569133180 /nfs/dbraw/zinc/13/31/80/569133180.db2.gz AZPIVODZTKRYRV-UHFFFAOYSA-N 0 0 425.514 2.297 50 0 IEAARN COC(=O)c1ccc2c(c1)nc(N1CCOCC1)n(-c1cc(OC)cc(OC)c1)c2=O ZINC000065306677 569133392 /nfs/dbraw/zinc/13/33/92/569133392.db2.gz SEIDECFJLSLVDP-UHFFFAOYSA-N 0 0 425.441 2.026 50 0 IEAARN COC(=O)c1ccc2c(c1)nc(N1CCC(C(N)=O)CC1)n(CCc1ccccc1)c2=O ZINC000065306580 569133396 /nfs/dbraw/zinc/13/33/96/569133396.db2.gz WXFLAJJSJHBVBG-UHFFFAOYSA-N 0 0 434.496 2.128 50 0 IEAARN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)cc1 ZINC000238885435 569137792 /nfs/dbraw/zinc/13/77/92/569137792.db2.gz PXXFFMMPBZQZGL-CYBMUJFWSA-N 0 0 441.303 2.473 50 0 IEAARN Cc1nn(C)cc1[C@@H](C)NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311509 569133777 /nfs/dbraw/zinc/13/37/77/569133777.db2.gz IWGNVIPFYQXZSD-QGZVFWFLSA-N 0 0 434.544 2.427 50 0 IEAARN O=C(NC1CCCCCC1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC000065319217 569134759 /nfs/dbraw/zinc/13/47/59/569134759.db2.gz YYCGLBSKYICULK-UHFFFAOYSA-N 0 0 434.518 2.210 50 0 IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CCCC2)C1 ZINC000065314808 569135551 /nfs/dbraw/zinc/13/55/51/569135551.db2.gz NONYBIBXMBHLPQ-MRXNPFEDSA-N 0 0 433.574 2.354 50 0 IEAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036708435 569135813 /nfs/dbraw/zinc/13/58/13/569135813.db2.gz XTSWDDMGCVHYGJ-CYBMUJFWSA-N 0 0 442.453 2.086 50 0 IEAARN CNC(=O)Cc1csc(NC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)n1 ZINC000036709259 569136271 /nfs/dbraw/zinc/13/62/71/569136271.db2.gz VQIOLWPOOQFANS-UHFFFAOYSA-N 0 0 443.573 2.338 50 0 IEAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)c1 ZINC000239578952 569139640 /nfs/dbraw/zinc/13/96/40/569139640.db2.gz DCDREKPFAJTTHM-LJQANCHMSA-N 0 0 437.495 2.351 50 0 IEAARN Cc1cc(NC(=O)CSCC(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)no1 ZINC000065589720 569139950 /nfs/dbraw/zinc/13/99/50/569139950.db2.gz XMZPYFNXSDMYPP-UHFFFAOYSA-N 0 0 428.518 2.316 50 0 IEAARN Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)ccc21 ZINC000240122581 569140615 /nfs/dbraw/zinc/14/06/15/569140615.db2.gz WDKGPXPSZGSSNB-HXUWFJFHSA-N 0 0 425.510 2.026 50 0 IEAARN Cn1ccc2cc([C@H](O)CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 ZINC000240122538 569140724 /nfs/dbraw/zinc/14/07/24/569140724.db2.gz WCBLEGAJAOGWER-OAQYLSRUSA-N 0 0 427.526 2.426 50 0 IEAARN Cn1ccc2cc([C@@H](O)CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 ZINC000240122537 569140732 /nfs/dbraw/zinc/14/07/32/569140732.db2.gz WCBLEGAJAOGWER-NRFANRHFSA-N 0 0 427.526 2.426 50 0 IEAARN CC(=O)N1C[C@H](CCC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000170597044 569141891 /nfs/dbraw/zinc/14/18/91/569141891.db2.gz WFJAJUBKDPAWNZ-FQEVSTJZSA-N 0 0 434.540 2.382 50 0 IEAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n2nc(C(F)(F)F)nc2n1 ZINC000170596314 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COCCn1c(N)c(C(=O)CSc2nc3cc(F)cc(Cl)c3o2)c(=O)[nH]c1=O ZINC000253536840 569284190 /nfs/dbraw/zinc/28/41/90/569284190.db2.gz DVZOBHMSJJMGST-UHFFFAOYSA-N 0 0 428.829 2.086 50 0 IEAARN COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623712 569284460 /nfs/dbraw/zinc/28/44/60/569284460.db2.gz IJUOPHMXGRSFAH-NSHDSACASA-N 0 0 429.381 2.089 50 0 biogenic IEAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1ccc2c(nnc3ccnn32)c1=O ZINC000252494904 569288038 /nfs/dbraw/zinc/28/80/38/569288038.db2.gz OHQNEKJQQJHVEA-QGZVFWFLSA-N 0 0 443.467 2.123 50 0 IEAARN COC(=O)c1cn(-c2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc2c(=O)[nH]nc1-2 ZINC000253411856 569288962 /nfs/dbraw/zinc/28/89/62/569288962.db2.gz PEWLYJROWNHCKO-UHFFFAOYSA-N 0 0 429.436 2.440 50 0 IEAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 ZINC000002379463 569290084 /nfs/dbraw/zinc/29/00/84/569290084.db2.gz MKQQJIGSQVIXBA-UHFFFAOYSA-N 0 0 435.469 2.206 50 0 IEAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NC[C@H]1CCCO1 ZINC000008661426 569290094 /nfs/dbraw/zinc/29/00/94/569290094.db2.gz OBDKFBDTOKTNJB-QGZVFWFLSA-N 0 0 427.526 2.185 50 0 IEAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2N)c1 ZINC000002384342 569294286 /nfs/dbraw/zinc/29/42/86/569294286.db2.gz IFOVVKIHEGQRKP-UHFFFAOYSA-N 0 0 426.502 2.276 50 0 IEAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000009466208 569296604 /nfs/dbraw/zinc/29/66/04/569296604.db2.gz HILWJCZNHGOAEL-MOSHPQCFSA-N 0 0 446.467 2.054 50 0 IEAARN COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1cccs1 ZINC000002390648 569297654 /nfs/dbraw/zinc/29/76/54/569297654.db2.gz BYKLUUYGMWELTD-KRWDZBQOSA-N 0 0 430.507 2.079 50 0 IEAARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c1C2 ZINC000225412988 569299184 /nfs/dbraw/zinc/29/91/84/569299184.db2.gz YYOPJUJFHCDBNM-HIFRSBDPSA-N 0 0 432.480 2.419 50 0 biogenic IEAARN COC(=O)C[C@@H](c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)C(C)C ZINC000225413157 569299193 /nfs/dbraw/zinc/29/91/93/569299193.db2.gz WAWOTHXNLZPALE-SOLBZPMBSA-N 0 0 442.512 2.429 50 0 biogenic IEAARN CN(Cc1nnc(-c2ccccc2)o1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000055252828 569300621 /nfs/dbraw/zinc/30/06/21/569300621.db2.gz JXOHQYRHFIFRCB-IBGZPJMESA-N 0 0 437.475 2.225 50 0 IEAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)N[C@H]3CCS(=O)(=O)C3)cc12 ZINC000011859344 569302980 /nfs/dbraw/zinc/30/29/80/569302980.db2.gz WUINHCBHKGWRQF-LBPRGKRZSA-N 0 0 434.568 2.187 50 0 IEAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)CC1 ZINC000013037974 569307611 /nfs/dbraw/zinc/30/76/11/569307611.db2.gz RCITYGAXUQCCTG-UHFFFAOYSA-N 0 0 437.543 2.007 50 0 IEAARN Cc1c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000013062649 569308613 /nfs/dbraw/zinc/30/86/13/569308613.db2.gz QNJOYVRFSCNQIN-UHFFFAOYSA-N 0 0 432.502 2.028 50 0 IEAARN Cc1c(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(=O)n(-c2ccccc2)n1C ZINC000013114353 569310620 /nfs/dbraw/zinc/31/06/20/569310620.db2.gz NKDVFQKNFAGBIT-UHFFFAOYSA-N 0 0 435.513 2.406 50 0 IEAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OC(F)F ZINC000013121446 569311113 /nfs/dbraw/zinc/31/11/13/569311113.db2.gz NRTDKLPCEXHBJI-UHFFFAOYSA-N 0 0 426.441 2.443 50 0 IEAARN O=C(CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc(F)c(F)c1 ZINC000013149128 569312165 /nfs/dbraw/zinc/31/21/65/569312165.db2.gz YYOHFQQNPCTFNT-UHFFFAOYSA-N 0 0 449.435 2.405 50 0 IEAARN O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000013164223 569312386 /nfs/dbraw/zinc/31/23/86/569312386.db2.gz ZKCWONCBZRNUDZ-LLVKDONJSA-N 0 0 426.343 2.073 50 0 IEAARN O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2ccco2)CC1 ZINC000013164393 569312393 /nfs/dbraw/zinc/31/23/93/569312393.db2.gz VHUJUDBMHKZHQV-UHFFFAOYSA-N 0 0 433.515 2.413 50 0 IEAARN O=C(NCc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000078611588 569316547 /nfs/dbraw/zinc/31/65/47/569316547.db2.gz GINGFWNGXCUDHC-UHFFFAOYSA-N 0 0 439.331 2.400 50 0 IEAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000078878563 569319909 /nfs/dbraw/zinc/31/99/09/569319909.db2.gz HHNCIHAVWPPZGG-ZQIUZPCESA-N 0 0 443.541 2.302 50 0 IEAARN Cc1ccccc1SCC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000079016077 569322102 /nfs/dbraw/zinc/32/21/02/569322102.db2.gz FZQJGOVWPALIRH-UHFFFAOYSA-N 0 0 426.498 2.219 50 0 IEAARN CCN1CCN(C(=O)Cc2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)CC1 ZINC000079025390 569322817 /nfs/dbraw/zinc/32/28/17/569322817.db2.gz FWETVEWXDFLDMD-UHFFFAOYSA-N 0 0 436.556 2.081 50 0 IEAARN COC(=O)COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)ccc1OC ZINC000079191443 569328082 /nfs/dbraw/zinc/32/80/82/569328082.db2.gz JEBTWFNKPFFSSA-WIYYLYMNSA-N 0 0 440.404 2.419 50 0 biogenic IEAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000019796416 569329556 /nfs/dbraw/zinc/32/95/56/569329556.db2.gz GIPJHTGVQSNOBT-UHFFFAOYSA-N 0 0 434.433 2.376 50 0 IEAARN O=c1cc2c(nn1CN1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CCCCC2 ZINC000079484280 569331015 /nfs/dbraw/zinc/33/10/15/569331015.db2.gz RTOHLAFODQRUGR-UHFFFAOYSA-N 0 0 436.965 2.130 50 0 IEAARN COc1cc2c3cnn(CN4CCN(c5ccccn5)CC4)c(=O)c3n(C)c2cc1OC ZINC000079489287 569331236 /nfs/dbraw/zinc/33/12/36/569331236.db2.gz HLTTZAKYFXTRCJ-UHFFFAOYSA-N 0 0 434.500 2.080 50 0 IEAARN COc1ccc(C2(CNC(=O)CNc3nc(Cl)nc4nc[nH]c43)CCOCC2)cc1 ZINC000079495241 569331417 /nfs/dbraw/zinc/33/14/17/569331417.db2.gz PDHZZVMBBBJWJI-UHFFFAOYSA-N 0 0 430.896 2.291 50 0 IEAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000020069774 569333317 /nfs/dbraw/zinc/33/33/17/569333317.db2.gz RIHKYZUSDBIZCY-KRWDZBQOSA-N 0 0 427.335 2.037 50 0 IEAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3[nH]c2=S)cc1OC ZINC000020102403 569333955 /nfs/dbraw/zinc/33/39/55/569333955.db2.gz BDGFAFDSWAVBFP-UHFFFAOYSA-N 0 0 440.525 2.079 50 0 IEAARN CC(=O)NCCN1C(=S)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000020115028 569334993 /nfs/dbraw/zinc/33/49/93/569334993.db2.gz XMUVBQHUCONNRV-SFHVURJKSA-N 0 0 446.479 2.432 50 0 IEAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)N(C)S(=O)(=O)N4C)n[nH]2)c1 ZINC000390826336 569353847 /nfs/dbraw/zinc/35/38/47/569353847.db2.gz IIZTWQRMOBPLQF-UHFFFAOYSA-N 0 0 443.485 2.477 50 0 IEAARN O=C1CCc2cc(S(=O)(=O)N3CC[C@H](c4cccs4)S(=O)(=O)CC3)ccc2N1 ZINC000390829942 569354135 /nfs/dbraw/zinc/35/41/35/569354135.db2.gz HPOXAWYXIXEPAI-QGZVFWFLSA-N 0 0 440.568 2.183 50 0 IEAARN CCn1cc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c(=O)c2ccc(C)nc21 ZINC000390830809 569354259 /nfs/dbraw/zinc/35/42/59/569354259.db2.gz NONNFVPOUIQTLN-LBPRGKRZSA-N 0 0 434.422 2.371 50 0 IEAARN COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2nccn3c(C)nnc23)CC1 ZINC000390830723 569354298 /nfs/dbraw/zinc/35/42/98/569354298.db2.gz MWJZCNFCWGLASU-UHFFFAOYSA-N 0 0 436.925 2.042 50 0 IEAARN O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)ccc2N1 ZINC000390830845 569354302 /nfs/dbraw/zinc/35/43/02/569354302.db2.gz NUSTUUNSQJWDCX-IBGZPJMESA-N 0 0 434.539 2.122 50 0 IEAARN O=S(=O)(c1cccc2nsnc21)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000390831419 569354378 /nfs/dbraw/zinc/35/43/78/569354378.db2.gz RSIAIYRQZYHOEG-CYBMUJFWSA-N 0 0 429.570 2.303 50 0 IEAARN O=S(=O)(c1cccc2nsnc21)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000390831420 569354390 /nfs/dbraw/zinc/35/43/90/569354390.db2.gz RSIAIYRQZYHOEG-ZDUSSCGKSA-N 0 0 429.570 2.303 50 0 IEAARN COC(=O)c1ccccc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000390831895 569354424 /nfs/dbraw/zinc/35/44/24/569354424.db2.gz VTCZVHXHSFWPKO-UHFFFAOYSA-N 0 0 429.498 2.279 50 0 IEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(C4CCCCC4)CC3)ccc21 ZINC000020209431 569356016 /nfs/dbraw/zinc/35/60/16/569356016.db2.gz RWESQTKGANWQEG-UHFFFAOYSA-N 0 0 447.601 2.236 50 0 IEAARN COC(=O)c1cc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc(C(=O)OC)c1 ZINC000020220684 569356842 /nfs/dbraw/zinc/35/68/42/569356842.db2.gz BUYQQVRURATTIA-UHFFFAOYSA-N 0 0 441.465 2.460 50 0 IEAARN CCOC(=O)c1sc2nc(SCC(=O)N(C)c3ccccc3)n(N)c(=O)c2c1C ZINC000020237736 569357452 /nfs/dbraw/zinc/35/74/52/569357452.db2.gz WICMMSKCUYJORT-UHFFFAOYSA-N 0 0 432.527 2.412 50 0 IEAARN COc1ccc(-c2nc(CSCC(=O)NCCN3CCOCC3)c(C)o2)cc1OC ZINC000020241103 569357868 /nfs/dbraw/zinc/35/78/68/569357868.db2.gz AHZSGTOQZNQWNE-UHFFFAOYSA-N 0 0 435.546 2.349 50 0 IEAARN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)cc1 ZINC000020284868 569358948 /nfs/dbraw/zinc/35/89/48/569358948.db2.gz KFTMEQPXFYELEP-GOSISDBHSA-N 0 0 433.486 2.082 50 0 IEAARN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000020327396 569360445 /nfs/dbraw/zinc/36/04/45/569360445.db2.gz UABCNIFNAWUSKU-CQSZACIVSA-N 0 0 445.497 2.180 50 0 IEAARN CC1=C(c2ccc(C)cc2)S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000020389232 569363279 /nfs/dbraw/zinc/36/32/79/569363279.db2.gz TYRBFPQCYZQQHS-UHFFFAOYSA-N 0 0 439.537 2.247 50 0 IEAARN O[C@H](COc1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1)CN1CCOCC1 ZINC000020406348 569363876 /nfs/dbraw/zinc/36/38/76/569363876.db2.gz CVDONCXDFGWSON-DEOSSOPVSA-N 0 0 443.563 2.215 50 0 IEAARN CCN1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)CC1 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CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cn1cnc2ccccc2c1=O ZINC000029072057 569425893 /nfs/dbraw/zinc/42/58/93/569425893.db2.gz IBBSGLAQMHGELO-UHFFFAOYSA-N 0 0 432.402 2.347 50 0 IEAARN COCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 ZINC000002938474 569426437 /nfs/dbraw/zinc/42/64/37/569426437.db2.gz ZRSKCJMTZDCEJY-AWEZNQCLSA-N 0 0 431.308 2.214 50 0 IEAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000056907937 569427712 /nfs/dbraw/zinc/42/77/12/569427712.db2.gz BWZIHPREZXEOLV-RTRPANQVSA-N 0 0 434.587 2.283 50 0 IEAARN O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)NCc1ccco1 ZINC000056949832 569428282 /nfs/dbraw/zinc/42/82/82/569428282.db2.gz IJBWMAASQDLGRK-UHFFFAOYSA-N 0 0 441.459 2.389 50 0 IEAARN CC(C)Cn1c2c(nc1N1CCN(Cc3ccccc3Cl)CC1)n(C)c(=O)[nH]c2=O ZINC000056952476 569428488 /nfs/dbraw/zinc/42/84/88/569428488.db2.gz BALSNZCYIAFYQC-UHFFFAOYSA-N 0 0 430.940 2.055 50 0 IEAARN CC(C)Cn1c2c(nc1N1CCN(Cc3cccc(Cl)c3)CC1)n(C)c(=O)[nH]c2=O ZINC000056952478 569428503 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ZINC000022697846 522065382 /nfs/dbraw/zinc/06/53/82/522065382.db2.gz BUCGNBIUQDIBBV-QHCPKHFHSA-N 0 0 435.528 2.210 50 0 IEAARN COC(=O)c1ccc(NC(=O)CN2CCCN(Cc3cccc(C)c3)S2(=O)=O)cc1 ZINC000021923448 522092588 /nfs/dbraw/zinc/09/25/88/522092588.db2.gz LUMBVBAVCHZPDO-UHFFFAOYSA-N 0 0 431.514 2.173 50 0 IEAARN COC(=O)c1ccc(OC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000021587020 522139303 /nfs/dbraw/zinc/13/93/03/522139303.db2.gz SCUCDYNRKYYSGI-INIZCTEOSA-N 0 0 433.482 2.488 50 0 IEAARN COC(=O)c1ccc(O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(OC)c1 ZINC000012781548 522147022 /nfs/dbraw/zinc/14/70/22/522147022.db2.gz UGPMEIXJFJLGCG-JTQLQIEISA-N 0 0 440.374 2.421 50 0 IEAARN COC(=O)c1ccc2c(c1)nc(N1CCC(C(N)=O)CC1)n(Cc1ccc(C)cc1)c2=O ZINC000033300651 522185075 /nfs/dbraw/zinc/18/50/75/522185075.db2.gz BEJUCHSGNQZBJY-UHFFFAOYSA-N 0 0 434.496 2.242 50 0 IEAARN COC(=O)c1ccccc1-n1cc2c(c1-c1ccc(OC)c(OC)c1)c(=O)n(C)c(=O)n2C ZINC000020738032 522256461 /nfs/dbraw/zinc/25/64/61/522256461.db2.gz 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COC(=O)c1cn(-c2ccccc2NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)nn1 ZINC000023185183 522307845 /nfs/dbraw/zinc/30/78/45/522307845.db2.gz UQUXKXNFRJEVNY-IBGZPJMESA-N 0 0 435.440 2.424 50 0 IEAARN CCc1nc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cs1 ZINC000022742095 522359938 /nfs/dbraw/zinc/35/99/38/522359938.db2.gz HQCTVNIKUURXAT-UHFFFAOYSA-N 0 0 426.516 2.092 50 0 IEAARN COC(=O)c1sccc1NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O ZINC000035447276 522444144 /nfs/dbraw/zinc/44/41/44/522444144.db2.gz CLABSYNUYQDISC-UHFFFAOYSA-N 0 0 441.506 2.065 50 0 IEAARN CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020761800 522469447 /nfs/dbraw/zinc/46/94/47/522469447.db2.gz PKTXOKPKDXBDIM-UHFFFAOYSA-N 0 0 429.926 2.130 50 0 IEAARN COc1cc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc(OC)c1OC ZINC000012901740 522664996 /nfs/dbraw/zinc/66/49/96/522664996.db2.gz FFWAZCHRFAWJFO-UHFFFAOYSA-N 0 0 425.441 2.386 50 0 biogenic IEAARN COc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)cc(OC)c1 ZINC000015767795 522674497 /nfs/dbraw/zinc/67/44/97/522674497.db2.gz RBEDCPSYEOIYJW-UHFFFAOYSA-N 0 0 442.497 2.290 50 0 IEAARN COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000012440151 522735885 /nfs/dbraw/zinc/73/58/85/522735885.db2.gz ACGMUHTYUHNJGY-UHFFFAOYSA-N 0 0 438.528 2.060 50 0 IEAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000012871090 522824649 /nfs/dbraw/zinc/82/46/49/522824649.db2.gz GZXXJQJYNGENQH-CYBMUJFWSA-N 0 0 434.514 2.353 50 0 IEAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000012900027 522868336 /nfs/dbraw/zinc/86/83/36/522868336.db2.gz LVUYLLXIZHSONM-ZFWWWQNUSA-N 0 0 443.319 2.150 50 0 IEAARN COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000012727826 522868740 /nfs/dbraw/zinc/86/87/40/522868740.db2.gz XZTASNYWYLAJRS-ABAIWWIYSA-N 0 0 432.420 2.406 50 0 IEAARN COC(=O)C1=C(CS(=O)(=O)c2cccc(Cl)c2)NC(=O)N[C@@H]1c1ccc(O)cc1 ZINC000020858200 522889244 /nfs/dbraw/zinc/88/92/44/522889244.db2.gz 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COc1cc2c(c3oc(=O)c(CC(=O)N(C[C@H](C)O)C[C@H](C)O)c(C)c13)CCC(C)(C)O2 ZINC000012902220 522994087 /nfs/dbraw/zinc/99/40/87/522994087.db2.gz NKUWWUHVBUDHQL-KBPBESRZSA-N 0 0 447.528 2.346 50 0 biogenic IEAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCN4CCOCC4)ccc32)cc1 ZINC000020533601 523088318 /nfs/dbraw/zinc/08/83/18/523088318.db2.gz PFBPLCVFGFJWHV-UHFFFAOYSA-N 0 0 438.480 2.296 50 0 biogenic IEAARN COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(OC)c(OC)c3)n2)c(F)c1 ZINC000044891291 523129953 /nfs/dbraw/zinc/12/99/53/523129953.db2.gz GHLFFAKFWIBFTL-UHFFFAOYSA-N 0 0 427.432 2.392 50 0 IEAARN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012794863 523149505 /nfs/dbraw/zinc/14/95/05/523149505.db2.gz YVYJOLODKAXTKI-FUHWJXTLSA-N 0 0 434.489 2.277 50 0 IEAARN COCCCN(C(=O)c1cc(F)c(F)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012788927 523194321 /nfs/dbraw/zinc/19/43/21/523194321.db2.gz LDPVIPYXXAKXAY-UHFFFAOYSA-N 0 0 444.866 2.390 50 0 IEAARN CCn1c(COC(=O)c2ccc(NC(N)=O)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012520738 523196120 /nfs/dbraw/zinc/19/61/20/523196120.db2.gz CREOFPLEUSZVQZ-UHFFFAOYSA-N 0 0 445.501 2.154 50 0 IEAARN COc1ccc(-c2nnc3n(Cc4cccc(Cl)c4)c4c(n23)n(C)c(=O)[nH]c4=O)cc1 ZINC000017144421 523270497 /nfs/dbraw/zinc/27/04/97/523270497.db2.gz LZKBNODGJQFGFJ-UHFFFAOYSA-N 0 0 436.859 2.448 50 0 IEAARN COc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccco4)c3=O)n2)cc1OC ZINC000023125897 523277471 /nfs/dbraw/zinc/27/74/71/523277471.db2.gz VACYCTMZPPIRKK-UHFFFAOYSA-N 0 0 436.424 2.492 50 0 IEAARN CCn1c2ccccc2n(CCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1=O ZINC000012263404 523282981 /nfs/dbraw/zinc/28/29/81/523282981.db2.gz BPOXNWYARPJALJ-UHFFFAOYSA-N 0 0 428.514 2.392 50 0 IEAARN CCn1c2nnc(-c3ccc(OCc4ccccc4)cc3)n2c2c1c(=O)n(C)c(=O)n2C ZINC000016838095 523296614 /nfs/dbraw/zinc/29/66/14/523296614.db2.gz LAVBPGJPGOHFRS-UHFFFAOYSA-N 0 0 430.468 2.347 50 0 IEAARN CN(Cc1cccc(Cl)c1Cl)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000021198191 523305984 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Cc1cc(C)n(-c2cc(N3CC(C(=O)NCc4nc(-c5ccccc5)no4)C3)ncn2)n1 ZINC000390826999 557239058 /nfs/dbraw/zinc/23/90/58/557239058.db2.gz RVLSFYSLSFWPDJ-UHFFFAOYSA-N 0 0 430.472 2.082 50 0 IEAARN COc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)c(OC)c3)C(C)=O)C2=O)cc1 ZINC000100069219 557239927 /nfs/dbraw/zinc/23/99/27/557239927.db2.gz QWCHBKBOFDNPOL-IBGZPJMESA-N 0 0 426.469 2.436 50 0 biogenic IEAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cn[nH]c3)[C@@H]21 ZINC000604406272 557240004 /nfs/dbraw/zinc/24/00/04/557240004.db2.gz AEYCSHLVBWHTGJ-HXUWFJFHSA-N 0 0 433.424 2.180 50 0 biogenic IEAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000583649434 557240390 /nfs/dbraw/zinc/24/03/90/557240390.db2.gz NXGJLSWGDRGHAR-FQEVSTJZSA-N 0 0 425.464 2.122 50 0 IEAARN COc1ccccc1-c1nc2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2n1 ZINC000026534096 557243850 /nfs/dbraw/zinc/24/38/50/557243850.db2.gz ODTMNQMISAWJEE-GZTJUZNOSA-N 0 0 425.466 2.400 50 0 IEAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000018157983 557244553 /nfs/dbraw/zinc/24/45/53/557244553.db2.gz LZJFLHJCCNRGMR-QGZVFWFLSA-N 0 0 427.530 2.430 50 0 IEAARN O=C(CSC1=NCCS1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000018169350 557245342 /nfs/dbraw/zinc/24/53/42/557245342.db2.gz OLPUFJUPFCPNMG-UHFFFAOYSA-N 0 0 439.628 2.234 50 0 IEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000026687495 557246504 /nfs/dbraw/zinc/24/65/04/557246504.db2.gz RZMWHLWFHDQORL-QIPHDZALSA-N 0 0 426.519 2.478 50 0 IEAARN COc1c2c(c(CNC(=O)/C=C/c3ccc4c(c3)OCO4)c3c1C(=O)N(C)CC3)OCO2 ZINC000604404550 557247468 /nfs/dbraw/zinc/24/74/68/557247468.db2.gz PIDABUVBJZXLSY-GQCTYLIASA-N 0 0 438.436 2.110 50 0 biogenic IEAARN CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1OC ZINC000026779512 557248527 /nfs/dbraw/zinc/24/85/27/557248527.db2.gz MKOVIOUEGODWAA-MOSHPQCFSA-N 0 0 435.505 2.365 50 0 IEAARN O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000026983960 557253178 /nfs/dbraw/zinc/25/31/78/557253178.db2.gz GMNARIPOJZFRBK-CQSZACIVSA-N 0 0 426.844 2.371 50 0 IEAARN CCN(CC)C(=S)SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000018242520 557253391 /nfs/dbraw/zinc/25/33/91/557253391.db2.gz BSBHZBABHQLSFC-UHFFFAOYSA-N 0 0 433.596 2.019 50 0 IEAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1S(=O)(=O)NC1CC1 ZINC000026993243 557253630 /nfs/dbraw/zinc/25/36/30/557253630.db2.gz VGLTZDOQUNXYIR-UHFFFAOYSA-N 0 0 429.498 2.280 50 0 IEAARN O=C1CCc2cc(S(=O)(=O)N3CC[C@H](c4ccccc4)S(=O)(=O)CC3)ccc2N1 ZINC000390830846 557253770 /nfs/dbraw/zinc/25/37/70/557253770.db2.gz NUSTUUNSQJWDCX-LJQANCHMSA-N 0 0 434.539 2.122 50 0 IEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000027016050 557253868 /nfs/dbraw/zinc/25/38/68/557253868.db2.gz PLIWXMXWUGNHBS-ZNQKWNQWSA-N 0 0 448.500 2.445 50 0 IEAARN COc1cccc(-n2cnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000024415618 557254022 /nfs/dbraw/zinc/25/40/22/557254022.db2.gz ZCIGAIGOGRROEX-UHFFFAOYSA-N 0 0 427.442 2.445 50 0 IEAARN CCOC(=O)C1CCC(CNC(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)CC1 ZINC000390830613 557257197 /nfs/dbraw/zinc/25/71/97/557257197.db2.gz MFHOEMWUFCHSLM-UHFFFAOYSA-N 0 0 443.552 2.070 50 0 IEAARN COc1cccc(N2C[C@H](C(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)CC2=O)c1 ZINC000390831706 557258837 /nfs/dbraw/zinc/25/88/37/557258837.db2.gz UHEYSVDLVDCUSE-NQIIRXRSSA-N 0 0 442.537 2.437 50 0 IEAARN Nc1nc(COC(=O)CCN2C(=O)COc3ccccc32)nc(Nc2ccc(F)cc2)n1 ZINC000027428754 557262127 /nfs/dbraw/zinc/26/21/27/557262127.db2.gz IUZKUHCOBXYVQB-UHFFFAOYSA-N 0 0 438.419 2.195 50 0 IEAARN NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc2c(cc1Br)OCCO2 ZINC000027550846 557265185 /nfs/dbraw/zinc/26/51/85/557265185.db2.gz RDHZAFRHJQZQPL-UHFFFAOYSA-N 0 0 425.304 2.430 50 0 IEAARN O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000027663074 557269212 /nfs/dbraw/zinc/26/92/12/557269212.db2.gz XBNHDHRLGZTIPX-CYBMUJFWSA-N 0 0 434.539 2.171 50 0 IEAARN COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000027663068 557269226 /nfs/dbraw/zinc/26/92/26/557269226.db2.gz RRNQAMSOHUUFOP-LBPRGKRZSA-N 0 0 434.539 2.415 50 0 IEAARN COc1ccc(CCN2C(=O)C[C@H](Nc3ccc(N4CCOCC4)cc3)C2=O)cc1OC ZINC000100762150 557276036 /nfs/dbraw/zinc/27/60/36/557276036.db2.gz OXIPAVWUWNYWAA-FQEVSTJZSA-N 0 0 439.512 2.323 50 0 IEAARN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1c[nH]c2ccccc21 ZINC000101455630 557285881 /nfs/dbraw/zinc/28/58/81/557285881.db2.gz SXJYHLIKPLTNBQ-FQEVSTJZSA-N 0 0 443.463 2.469 50 0 IEAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1C ZINC000101635988 557291829 /nfs/dbraw/zinc/29/18/29/557291829.db2.gz HOMOELKBCAUBPK-SOUVJXGZSA-N 0 0 432.473 2.098 50 0 IEAARN CC(=O)Nc1ccc2c(COC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc(=O)oc2c1 ZINC000101646910 557292366 /nfs/dbraw/zinc/29/23/66/557292366.db2.gz NALNCYMDIAYEQL-UYHISHBKSA-N 0 0 440.452 2.358 50 0 IEAARN CC(=O)Nc1ccc2c(COC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc(=O)oc2c1 ZINC000101646914 557292408 /nfs/dbraw/zinc/29/24/08/557292408.db2.gz NALNCYMDIAYEQL-JBBXEZCESA-N 0 0 440.452 2.358 50 0 IEAARN COc1ccccc1CNC(=O)C1CCC(CNc2c(=O)c(=O)c2N2CCCC2)CC1 ZINC000101624374 557292841 /nfs/dbraw/zinc/29/28/41/557292841.db2.gz ZPQDQYLKQDCPQY-UHFFFAOYSA-N 0 0 425.529 2.426 50 0 IEAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)cc2F)C[C@H](C)O1 ZINC000072306254 557293158 /nfs/dbraw/zinc/29/31/58/557293158.db2.gz VZDQJNAYQQPXAY-ALLJEULLSA-N 0 0 447.511 2.281 50 0 IEAARN Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014068178 557297072 /nfs/dbraw/zinc/29/70/72/557297072.db2.gz ZYFDJEKZCMMPAM-UHFFFAOYSA-N 0 0 440.504 2.345 50 0 IEAARN O=C(CN1CCN(CC(=O)N2CCCC2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000084487290 557305435 /nfs/dbraw/zinc/30/54/35/557305435.db2.gz MSMDXIPAEUNYCH-QHCPKHFHSA-N 0 0 444.576 2.333 50 0 IEAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2C)no1 ZINC000102129895 557313347 /nfs/dbraw/zinc/31/33/47/557313347.db2.gz SEXLVNNDFVHQFW-CALCHBBNSA-N 0 0 439.468 2.458 50 0 IEAARN COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1Br ZINC000023245419 557313616 /nfs/dbraw/zinc/31/36/16/557313616.db2.gz JCBATKMCKCFRRE-UHFFFAOYSA-N 0 0 435.321 2.214 50 0 IEAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)[C@H]1C ZINC000102243029 557315371 /nfs/dbraw/zinc/31/53/71/557315371.db2.gz GHIZWWXABHWRDW-VKJFTORMSA-N 0 0 438.546 2.274 50 0 IEAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032904380 557317145 /nfs/dbraw/zinc/31/71/45/557317145.db2.gz LTPUSNPXCWCMBM-GOSISDBHSA-N 0 0 444.495 2.385 50 0 IEAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000102275321 557317187 /nfs/dbraw/zinc/31/71/87/557317187.db2.gz NMKWLIYMUOJKJV-OKILXGFUSA-N 0 0 425.466 2.128 50 0 IEAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1C ZINC000032908692 557317390 /nfs/dbraw/zinc/31/73/90/557317390.db2.gz VOKVRXLCIRVLRZ-QGZVFWFLSA-N 0 0 435.590 2.104 50 0 IEAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1C ZINC000102398966 557320633 /nfs/dbraw/zinc/32/06/33/557320633.db2.gz HOQKEFMTUNRLQE-QZTJIDSGSA-N 0 0 447.557 2.305 50 0 IEAARN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Br)cc1F ZINC000102396626 557320691 /nfs/dbraw/zinc/32/06/91/557320691.db2.gz HRYWUDJEOGGZFB-RYUDHWBXSA-N 0 0 441.253 2.245 50 0 IEAARN Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1Br ZINC000102395580 557320729 /nfs/dbraw/zinc/32/07/29/557320729.db2.gz KRYBGDDXRRNEJP-KBPBESRZSA-N 0 0 437.290 2.414 50 0 IEAARN O=c1c(Cl)c(N2CCN(Cn3nnc(-c4ccccc4)n3)CC2)cnn1-c1ccccc1 ZINC000014245662 557329421 /nfs/dbraw/zinc/32/94/21/557329421.db2.gz PJOMVJMGDWPXKN-UHFFFAOYSA-N 0 0 448.918 2.319 50 0 IEAARN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1 ZINC000072309579 557330671 /nfs/dbraw/zinc/33/06/71/557330671.db2.gz HIELXGWDKYNKLL-UHFFFAOYSA-N 0 0 434.505 2.120 50 0 IEAARN COCCNC(=O)Cn1c2nc(-c3ccccc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324747 557333274 /nfs/dbraw/zinc/33/32/74/557333274.db2.gz FBTKIYMNYLMMRD-UHFFFAOYSA-N 0 0 431.496 2.220 50 0 IEAARN O=S(=O)(NCCc1ccc2c(c1)OCO2)c1cc2c(cc1Br)OCCO2 ZINC000060908635 557338308 /nfs/dbraw/zinc/33/83/08/557338308.db2.gz GOSPYAIABJURDF-UHFFFAOYSA-N 0 0 442.287 2.470 50 0 IEAARN O=C(CNC(=O)OCc1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220865385 557369177 /nfs/dbraw/zinc/36/91/77/557369177.db2.gz CEFBRFOAIDNWJD-QGZVFWFLSA-N 0 0 436.472 2.234 50 0 IEAARN O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220871238 557369496 /nfs/dbraw/zinc/36/94/96/557369496.db2.gz DEBWNILDTOMQAM-KRWDZBQOSA-N 0 0 434.500 2.458 50 0 IEAARN Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2N)cc1S(=O)(=O)N(C)C ZINC000023644352 557370103 /nfs/dbraw/zinc/37/01/03/557370103.db2.gz SUVPDFFDSMVHLW-UHFFFAOYSA-N 0 0 425.894 2.276 50 0 IEAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023873169 557377439 /nfs/dbraw/zinc/37/74/39/557377439.db2.gz GPDAJHOJUGSSDE-QPJJXVBHSA-N 0 0 436.541 2.318 50 0 IEAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(N)=O)n2)cc1OC ZINC000011693371 557390830 /nfs/dbraw/zinc/39/08/30/557390830.db2.gz NCRXMTDKCJIFCK-UHFFFAOYSA-N 0 0 436.468 2.445 50 0 IEAARN COc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1C ZINC000011694529 557392429 /nfs/dbraw/zinc/39/24/29/557392429.db2.gz JWTMKEREZZHCQO-UHFFFAOYSA-N 0 0 439.497 2.466 50 0 IEAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102818904 557393379 /nfs/dbraw/zinc/39/33/79/557393379.db2.gz JJJRPTZPKIVJPD-RYUDHWBXSA-N 0 0 425.407 2.066 50 0 IEAARN COCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000011696094 557393897 /nfs/dbraw/zinc/39/38/97/557393897.db2.gz INBXZCCPXFXLLV-INIZCTEOSA-N 0 0 428.514 2.143 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cccc(C)n3)nn2)cc1 ZINC000011697128 557394793 /nfs/dbraw/zinc/39/47/93/557394793.db2.gz XILQMYFYIATFDS-UHFFFAOYSA-N 0 0 441.517 2.272 50 0 IEAARN Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000024097251 557395670 /nfs/dbraw/zinc/39/56/70/557395670.db2.gz ZSXPVDMNDKOLRS-HXOBKFHXSA-N 0 0 426.469 2.282 50 0 IEAARN O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000072403077 557395712 /nfs/dbraw/zinc/39/57/12/557395712.db2.gz LYARLEMGHWBVHG-AWEZNQCLSA-N 0 0 437.422 2.347 50 0 IEAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000102897661 557411185 /nfs/dbraw/zinc/41/11/85/557411185.db2.gz CDOMSEVZSPDGFR-HUUCEWRRSA-N 0 0 446.529 2.338 50 0 IEAARN CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000408514318 557411550 /nfs/dbraw/zinc/41/15/50/557411550.db2.gz JVROZVFSHLWXFB-INIZCTEOSA-N 0 0 434.518 2.245 50 0 IEAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3C/C=C\c1ccccc1 ZINC000102912479 557411828 /nfs/dbraw/zinc/41/18/28/557411828.db2.gz 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431.496 2.302 50 0 IEAARN C=C1C(N2CCC(NC(=O)CCOC)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239211 569120030 /nfs/dbraw/zinc/12/00/30/569120030.db2.gz XOBUUVAQEOUQKK-UHFFFAOYSA-N 0 0 425.938 2.430 50 0 IEAARN C=C1C(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239529 569120572 /nfs/dbraw/zinc/12/05/72/569120572.db2.gz JOEWHAQAIWWGRL-IBGZPJMESA-N 0 0 431.558 2.435 50 0 IEAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000036611160 569123462 /nfs/dbraw/zinc/12/34/62/569123462.db2.gz BZRSPBZWUIYJLH-UHFFFAOYSA-N 0 0 434.389 2.309 50 0 IEAARN COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1NCCCc1ccccc1 ZINC000036589721 569121074 /nfs/dbraw/zinc/12/10/74/569121074.db2.gz OIRMZXYQVMFERF-GHTZIAJQSA-N 0 0 437.583 2.165 50 0 IEAARN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000036589850 569121168 /nfs/dbraw/zinc/12/11/68/569121168.db2.gz MKTKLCLKUIBEIR-TZIWHRDSSA-N 0 0 428.554 2.263 50 0 IEAARN 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ZINC000524734516 569127719 /nfs/dbraw/zinc/12/77/19/569127719.db2.gz MHCGOWWVNAMJAA-KRWDZBQOSA-N 0 0 426.498 2.395 50 0 IEAARN CCNc1cc(N2CCC(CCC(=O)N3CCCN(c4ncccn4)CC3)CC2)ncn1 ZINC000065274067 569128479 /nfs/dbraw/zinc/12/84/79/569128479.db2.gz XELYPDSSKSPWBQ-UHFFFAOYSA-N 0 0 438.580 2.434 50 0 IEAARN C=C1C(N2CCC(NC(=O)NCCOC)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065271809 569128604 /nfs/dbraw/zinc/12/86/04/569128604.db2.gz GRBJNYZCLJOWAK-UHFFFAOYSA-N 0 0 440.953 2.223 50 0 IEAARN COc1cccc(CNC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c1 ZINC000065273259 569129308 /nfs/dbraw/zinc/12/93/08/569129308.db2.gz LVLCDXMNPJDLMZ-KRWDZBQOSA-N 0 0 428.558 2.242 50 0 IEAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc4c(c2)OCO4)CC3)CC1 ZINC000065273260 569129382 /nfs/dbraw/zinc/12/93/82/569129382.db2.gz GNZQURVWGPBABN-CQSZACIVSA-N 0 0 428.514 2.284 50 0 IEAARN CC[C@]1(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCN(C(=O)NC)C1 ZINC000065292087 569130311 /nfs/dbraw/zinc/13/03/11/569130311.db2.gz 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CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3nc(CC(N)=O)cs3)cs2)cc1 ZINC000036704684 569134244 /nfs/dbraw/zinc/13/42/44/569134244.db2.gz YUYVQAZRGUDWSX-UHFFFAOYSA-N 0 0 437.528 2.027 50 0 IEAARN Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)NC1CCCCC1 ZINC000065319003 569134678 /nfs/dbraw/zinc/13/46/78/569134678.db2.gz DEQLYVDYRVASNV-UHFFFAOYSA-N 0 0 434.518 2.128 50 0 IEAARN COc1ccccc1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 ZINC000065319138 569134686 /nfs/dbraw/zinc/13/46/86/569134686.db2.gz MIGSTJDCZGJJKW-UHFFFAOYSA-N 0 0 442.497 2.460 50 0 IEAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000036708275 569135056 /nfs/dbraw/zinc/13/50/56/569135056.db2.gz WVVZDPXUTCQRLE-UHFFFAOYSA-N 0 0 427.574 2.467 50 0 IEAARN O=C(NCc1cccnc1)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065313401 569135092 /nfs/dbraw/zinc/13/50/92/569135092.db2.gz OOBNHSWZAVLJCL-SFHVURJKSA-N 0 0 439.585 2.408 50 0 IEAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CCCC2)C1 ZINC000065314809 569135638 /nfs/dbraw/zinc/13/56/38/569135638.db2.gz NONYBIBXMBHLPQ-INIZCTEOSA-N 0 0 433.574 2.354 50 0 IEAARN Cc1ccc(CSc2nc(CC(=O)N3CCN(S(C)(=O)=O)CC3)cs2)cc1 ZINC000036709194 569136266 /nfs/dbraw/zinc/13/62/66/569136266.db2.gz NNQBRRQDJWQYQL-UHFFFAOYSA-N 0 0 425.601 2.390 50 0 IEAARN O=C(CCS(=O)(=O)c1ccccc1)NCCn1nc(-c2cnccn2)cc1C1CC1 ZINC000238881169 569137590 /nfs/dbraw/zinc/13/75/90/569137590.db2.gz PHELCEBSNLSKBU-UHFFFAOYSA-N 0 0 425.514 2.198 50 0 IEAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC000238869824 569137602 /nfs/dbraw/zinc/13/76/02/569137602.db2.gz MPXIIZLMMANVED-UHFFFAOYSA-N 0 0 447.344 2.029 50 0 IEAARN O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ncccc2Br)C1 ZINC000238959506 569138167 /nfs/dbraw/zinc/13/81/67/569138167.db2.gz YHSUUFQXMDLZBD-CYBMUJFWSA-N 0 0 429.274 2.234 50 0 IEAARN C[C@H](Oc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cn1)c1ccccc1 ZINC000065515914 569139018 /nfs/dbraw/zinc/13/90/18/569139018.db2.gz MTTQKRKVNLVPMF-KSZLIROESA-N 0 0 447.557 2.390 50 0 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569143131 /nfs/dbraw/zinc/14/31/31/569143131.db2.gz BPPBPCXJUXTHMR-CQSZACIVSA-N 0 0 427.914 2.017 50 0 IEAARN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCN2C(=S)N=NC2CC)C1(C)C ZINC000170602304 569143287 /nfs/dbraw/zinc/14/32/87/569143287.db2.gz MJFRCQFTFQCJGI-ZUOKHONESA-N 0 0 441.598 2.344 50 0 IEAARN CC(=O)C[C@H]1COCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000170607239 569144298 /nfs/dbraw/zinc/14/42/98/569144298.db2.gz ORGKUZLTOYOJQV-INIZCTEOSA-N 0 0 429.439 2.160 50 0 IEAARN CCOC(=O)C1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000170607850 569144379 /nfs/dbraw/zinc/14/43/79/569144379.db2.gz VFVWIEHSIKWYNY-KDURUIRLSA-N 0 0 425.485 2.380 50 0 IEAARN CCOC(=O)C1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000170607852 569144475 /nfs/dbraw/zinc/14/44/75/569144475.db2.gz VFVWIEHSIKWYNY-RTBURBONSA-N 0 0 425.485 2.380 50 0 IEAARN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cn1 ZINC000170609614 569144754 /nfs/dbraw/zinc/14/47/54/569144754.db2.gz TXCXSTRUQHQKFX-MRXNPFEDSA-N 0 0 440.422 2.498 50 0 IEAARN O=C(COC(=O)c1ccnc(C(=O)OCC(=O)N2CCCCCC2)c1)N1CCCCCC1 ZINC000170610728 569145045 /nfs/dbraw/zinc/14/50/45/569145045.db2.gz AZKMRJRRSRTKIE-UHFFFAOYSA-N 0 0 445.516 2.200 50 0 IEAARN COC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC1 ZINC000170610578 569145059 /nfs/dbraw/zinc/14/50/59/569145059.db2.gz HRONAKLSMCMRDX-UHFFFAOYSA-N 0 0 446.150 2.235 50 0 IEAARN O=S(=O)(c1ccccc1)N1CCc2nc(N3CCCCC3)nc(N3CCOCC3)c2C1 ZINC000037280232 569145732 /nfs/dbraw/zinc/14/57/32/569145732.db2.gz IVHSUUOCUWIVBH-UHFFFAOYSA-N 0 0 443.573 2.051 50 0 IEAARN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)Cn1ncn3nccc3c1=O)CCCC2 ZINC000170617618 569146902 /nfs/dbraw/zinc/14/69/02/569146902.db2.gz WOYLIGYSKPZHJL-UHFFFAOYSA-N 0 0 429.502 2.425 50 0 IEAARN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C[C@@H](c2ccccc2)O1 ZINC000170620699 569147927 /nfs/dbraw/zinc/14/79/27/569147927.db2.gz ZCGDHBXFZANBQU-SJCJKPOMSA-N 0 0 438.452 2.295 50 0 IEAARN COc1cc2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c(=O)[nH]c2cc1OC ZINC000170622739 569147991 /nfs/dbraw/zinc/14/79/91/569147991.db2.gz IOJADRIAPUVISX-UHFFFAOYSA-N 0 0 443.481 2.338 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCc4ccccc4C3)C2=O)cc1OC ZINC000170625244 569148386 /nfs/dbraw/zinc/14/83/86/569148386.db2.gz BBQLVHCQQCRUAP-IBGZPJMESA-N 0 0 437.496 2.142 50 0 biogenic IEAARN COc1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000170625620 569148498 /nfs/dbraw/zinc/14/84/98/569148498.db2.gz JBMYBGKYKUPFBB-KRWDZBQOSA-N 0 0 427.457 2.204 50 0 IEAARN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000170626113 569148669 /nfs/dbraw/zinc/14/86/69/569148669.db2.gz QUCKESBQUQYWHO-AOIWGVFYSA-N 0 0 445.491 2.029 50 0 IEAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000009869538 569149346 /nfs/dbraw/zinc/14/93/46/569149346.db2.gz DHFJZSVNBRRBAY-QGZVFWFLSA-N 0 0 449.554 2.012 50 0 IEAARN O=C(COC(=O)CNS(=O)(=O)c1cccc(Br)c1)Nc1ccc(F)cc1 ZINC000009883397 569150025 /nfs/dbraw/zinc/15/00/25/569150025.db2.gz GYKZNNSYMRCUGG-UHFFFAOYSA-N 0 0 445.266 2.048 50 0 IEAARN Cc1noc(C)c1CN1CC[NH+](C[C@@H](CC(=O)NCc2ccccc2Cl)C(=O)[O-])CC1 ZINC000071285831 569150937 /nfs/dbraw/zinc/15/09/37/569150937.db2.gz OCIQTCTZPLDYBC-GOSISDBHSA-N 0 0 448.951 2.470 50 0 IEAARN O=C(c1ccccc1Br)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000009954879 569151198 /nfs/dbraw/zinc/15/11/98/569151198.db2.gz QAVSNPCGECMPPE-UHFFFAOYSA-N 0 0 430.368 2.328 50 0 IEAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1 ZINC000010059479 569152173 /nfs/dbraw/zinc/15/21/73/569152173.db2.gz VFOBMINFKPQYOA-MRXNPFEDSA-N 0 0 431.514 2.224 50 0 IEAARN O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010220402 569152928 /nfs/dbraw/zinc/15/29/28/569152928.db2.gz IFIIKRKQTDKFDJ-UHFFFAOYSA-N 0 0 426.498 2.028 50 0 IEAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(OC)c1 ZINC000010216709 569153128 /nfs/dbraw/zinc/15/31/28/569153128.db2.gz 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CN(CC(=O)Nc1ccccc1Br)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000014280837 569158488 /nfs/dbraw/zinc/15/84/88/569158488.db2.gz IFCZVTDNOSSSQN-UHFFFAOYSA-N 0 0 431.290 2.200 50 0 IEAARN Cc1ccc(N2C(=O)N(CC(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)C(=O)[C@H]2C)cc1 ZINC000014372178 569158816 /nfs/dbraw/zinc/15/88/16/569158816.db2.gz BSBSDHBSYOHHGC-CYBMUJFWSA-N 0 0 439.497 2.109 50 0 IEAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1 ZINC000014604696 569159463 /nfs/dbraw/zinc/15/94/63/569159463.db2.gz UCGAXQFUWGOAJC-IYBDPMFKSA-N 0 0 440.525 2.447 50 0 IEAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)C2=O)cc1 ZINC000089629891 569160146 /nfs/dbraw/zinc/16/01/46/569160146.db2.gz NRXZEFAOHHQYKT-OKGOCJFSSA-N 0 0 427.526 2.377 50 0 IEAARN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nn1cc(Br)cn1 ZINC000089643159 569160411 /nfs/dbraw/zinc/16/04/11/569160411.db2.gz JTCQKNRDQVKVGI-UHFFFAOYSA-N 0 0 439.291 2.409 50 0 IEAARN Cc1ccc(-n2cc(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)nn2)cc1 ZINC000089643117 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436.512 2.044 50 0 IEAARN COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(OC)cc3OC)n2)cc1 ZINC000016954197 569167343 /nfs/dbraw/zinc/16/73/43/569167343.db2.gz QNXPEJPBTCTXQN-UHFFFAOYSA-N 0 0 438.440 2.160 50 0 IEAARN COc1ccc(CNC(=O)CCCCn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000016953746 569167366 /nfs/dbraw/zinc/16/73/66/569167366.db2.gz BLUDLCKVHDPVJN-UHFFFAOYSA-N 0 0 441.484 2.202 50 0 IEAARN CCCOc1ccc([C@H](C)NC(=O)CNS(=O)(=O)CCCOC)cc1OCCC ZINC000089960338 569169105 /nfs/dbraw/zinc/16/91/05/569169105.db2.gz NDXSQEKBWCDDEC-INIZCTEOSA-N 0 0 430.567 2.397 50 0 IEAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3nccn3C)CC2)nc1 ZINC000089969576 569169417 /nfs/dbraw/zinc/16/94/17/569169417.db2.gz NAQMXOBDAYWRSQ-UHFFFAOYSA-N 0 0 426.546 2.357 50 0 IEAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12 ZINC000016992919 569169697 /nfs/dbraw/zinc/16/96/97/569169697.db2.gz BEPNNRDHNBHVKP-KRWDZBQOSA-N 0 0 440.525 2.239 50 0 IEAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1F 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CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)c1 ZINC000253410137 569265684 /nfs/dbraw/zinc/26/56/84/569265684.db2.gz MWMRVBXNWRUXSA-ICPLQIHGSA-N 0 0 442.516 2.004 50 0 biogenic IEAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1NC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000253411925 569265867 /nfs/dbraw/zinc/26/58/67/569265867.db2.gz PHPGQHAGGKGOAW-SFTDATJTSA-N 0 0 448.523 2.324 50 0 biogenic IEAARN COc1ccc([C@H](CC(=O)NCCC[NH+](C)C)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000253412948 569265957 /nfs/dbraw/zinc/26/59/57/569265957.db2.gz SOQQPVJKWMATGD-INIZCTEOSA-N 0 0 448.516 2.270 50 0 biogenic IEAARN COc1ccc(Br)c(C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)c1 ZINC000253471768 569282534 /nfs/dbraw/zinc/28/25/34/569282534.db2.gz FPZFGCJEAVMJML-UHFFFAOYSA-N 0 0 440.319 2.389 50 0 IEAARN COC(=O)[C@H](CCSC)NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000253483617 569282925 /nfs/dbraw/zinc/28/29/25/569282925.db2.gz GKSFLPWJEVTTLW-MPGHIAIKSA-N 0 0 447.557 2.319 50 0 biogenic IEAARN 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569306205 /nfs/dbraw/zinc/30/62/05/569306205.db2.gz SMVXRKRTPOZIBS-CYBMUJFWSA-N 0 0 449.529 2.405 50 0 IEAARN CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3OCC)CC2)cc1 ZINC000013031579 569307501 /nfs/dbraw/zinc/30/75/01/569307501.db2.gz WWGTXMDRWCYLKL-UHFFFAOYSA-N 0 0 447.557 2.429 50 0 IEAARN CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000013058637 569308548 /nfs/dbraw/zinc/30/85/48/569308548.db2.gz CAMFXKNMOSNDAC-LJQANCHMSA-N 0 0 439.553 2.044 50 0 IEAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000013114901 569310812 /nfs/dbraw/zinc/31/08/12/569310812.db2.gz WEOFZAAUSNPJGA-IRXDYDNUSA-N 0 0 433.530 2.043 50 0 IEAARN O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000013164224 569312369 /nfs/dbraw/zinc/31/23/69/569312369.db2.gz ZKCWONCBZRNUDZ-NSHDSACASA-N 0 0 426.343 2.073 50 0 IEAARN COc1ccc(C(=O)O[C@H]2OCCO[C@H]2OC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000013301158 569312863 /nfs/dbraw/zinc/31/28/63/569312863.db2.gz 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CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccc4ccccc4n3)CC2)s1 ZINC000079048625 569323226 /nfs/dbraw/zinc/32/32/26/569323226.db2.gz LJTIWSLPIVMELZ-UHFFFAOYSA-N 0 0 430.555 2.443 50 0 IEAARN Cc1cc(C)n2nc(CCCOC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)nc2n1 ZINC000079052239 569323561 /nfs/dbraw/zinc/32/35/61/569323561.db2.gz RXCWUGJQJSOLMI-IBGZPJMESA-N 0 0 445.545 2.220 50 0 IEAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCc1c(C)nc3c(c(=O)[nH]n3C)c1C)CC2 ZINC000079101820 569325502 /nfs/dbraw/zinc/32/55/02/569325502.db2.gz BNHIWLOSBSIKAE-GFCCVEGCSA-N 0 0 448.449 2.417 50 0 IEAARN C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1cccc(Br)c1 ZINC000079099996 569325560 /nfs/dbraw/zinc/32/55/60/569325560.db2.gz MAJKOGJHSIJLBB-CYBMUJFWSA-N 0 0 447.376 2.408 50 0 IEAARN COc1cccc2c1ccn2CCNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O ZINC000079193741 569328271 /nfs/dbraw/zinc/32/82/71/569328271.db2.gz PUELGIWSZXBLIQ-UHFFFAOYSA-N 0 0 436.468 2.193 50 0 biogenic IEAARN O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@@H](c1ccco1)N1CCOCC1 ZINC000079492605 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O[C@H](CNc1nccnc1NC[C@@H](O)COc1ccc(F)cc1)COc1ccc(F)cc1 ZINC000095467698 569371223 /nfs/dbraw/zinc/37/12/23/569371223.db2.gz LQILZNIGRVPLOX-QZTJIDSGSA-N 0 0 446.454 2.458 50 0 IEAARN COC(=O)C(C)(C)CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000095469028 569371418 /nfs/dbraw/zinc/37/14/18/569371418.db2.gz QMXSGWAHICXDCC-MRXNPFEDSA-N 0 0 436.555 2.179 50 0 IEAARN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000095475973 569372860 /nfs/dbraw/zinc/37/28/60/569372860.db2.gz NDIBLQOADDPOER-LBPRGKRZSA-N 0 0 440.817 2.153 50 0 IEAARN COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)cc1OC ZINC000095476608 569372989 /nfs/dbraw/zinc/37/29/89/569372989.db2.gz SYRFSHWAHRKJIU-AWEZNQCLSA-N 0 0 426.448 2.431 50 0 IEAARN COc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)c(OC)c1 ZINC000095477375 569373140 /nfs/dbraw/zinc/37/31/40/569373140.db2.gz GBVMPNURZALNNU-UHFFFAOYSA-N 0 0 437.496 2.070 50 0 IEAARN COc1ccc(C(=O)c2c(NC(=O)Cn3cnc4ccccc4c3=O)nc3n2CCC3)cc1 ZINC000095943468 569375670 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ZINC000096101009 569381763 /nfs/dbraw/zinc/38/17/63/569381763.db2.gz ZYARKLWJAJCYIW-OAHLLOKOSA-N 0 0 425.489 2.155 50 0 IEAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096103383 569381948 /nfs/dbraw/zinc/38/19/48/569381948.db2.gz MQGOEBUSKXFHPK-HXUWFJFHSA-N 0 0 448.566 2.160 50 0 IEAARN CCOC(=O)N1CCc2nn(CC(=O)Nc3cc(C)c(Cl)cc3OC)c(=O)cc2C1 ZINC000096105737 569382568 /nfs/dbraw/zinc/38/25/68/569382568.db2.gz VXCQCKLNDPUYQC-UHFFFAOYSA-N 0 0 434.880 2.367 50 0 IEAARN COc1cc(OC)c([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1OC ZINC000096115054 569383204 /nfs/dbraw/zinc/38/32/04/569383204.db2.gz PQAACAAUCDHDKV-HNNXBMFYSA-N 0 0 433.457 2.060 50 0 biogenic IEAARN CC(C)(C)OC(=O)NC1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000096116282 569383621 /nfs/dbraw/zinc/38/36/21/569383621.db2.gz LMDDPUIQNVPUIE-ZOBUZTSGSA-N 0 0 426.583 2.228 50 0 biogenic IEAARN COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)c2c1 ZINC000096116077 569383639 /nfs/dbraw/zinc/38/36/39/569383639.db2.gz VIJLFKWHLGGNDE-NRFANRHFSA-N 0 0 434.496 2.388 50 0 biogenic IEAARN COc1cc2nc(C)n(CC(=O)NCCn3c(C)nc4ccccc43)c(=O)c2cc1OC ZINC000096118655 569384535 /nfs/dbraw/zinc/38/45/35/569384535.db2.gz XLBOKCZDVZOXES-UHFFFAOYSA-N 0 0 435.484 2.197 50 0 IEAARN O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000096122139 569385175 /nfs/dbraw/zinc/38/51/75/569385175.db2.gz UMESMMJMBIODSV-UHFFFAOYSA-N 0 0 425.406 2.166 50 0 IEAARN CNC(=O)CS(=O)(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000096121839 569385181 /nfs/dbraw/zinc/38/51/81/569385181.db2.gz UUPMTNGTZGSBKX-UHFFFAOYSA-N 0 0 426.966 2.304 50 0 IEAARN COCCn1c(C[C@H]2CCN(S(=O)(=O)c3ccc(OC)cc3)C2)nc2cccnc21 ZINC000096125060 569385619 /nfs/dbraw/zinc/38/56/19/569385619.db2.gz WTICIFPOVBKBCB-MRXNPFEDSA-N 0 0 430.530 2.340 50 0 IEAARN CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccc(OC)c4)on3)C2)CC1 ZINC000096210414 569386510 /nfs/dbraw/zinc/38/65/10/569386510.db2.gz FTNYAFFIUFZDRB-GOSISDBHSA-N 0 0 426.517 2.367 50 0 IEAARN CCNC(=S)N1C[C@@H](C(=O)N2CCN(C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211337 569386591 /nfs/dbraw/zinc/38/65/91/569386591.db2.gz XDNKREJGPIRARU-IAGOWNOFSA-N 0 0 428.524 2.389 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000096221742 569387042 /nfs/dbraw/zinc/38/70/42/569387042.db2.gz YDIYGMJCDIVPSM-NRFANRHFSA-N 0 0 434.496 2.388 50 0 biogenic IEAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)C(C)C)CC1 ZINC000096230632 569387490 /nfs/dbraw/zinc/38/74/90/569387490.db2.gz QGJHDGITZSXLLV-FQEVSTJZSA-N 0 0 431.533 2.181 50 0 IEAARN COCCNC(=O)c1cccc(CSc2nc(C)cc(N3CCN(C(C)=O)CC3)n2)c1 ZINC000096279953 569389568 /nfs/dbraw/zinc/38/95/68/569389568.db2.gz WZWRIEVWRLALNB-UHFFFAOYSA-N 0 0 443.573 2.122 50 0 IEAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC ZINC000096279877 569389586 /nfs/dbraw/zinc/38/95/86/569389586.db2.gz VHIVYTWVOZKGHJ-OALUTQOASA-N 0 0 430.476 2.461 50 0 IEAARN COc1cc(CN2CCc3nc(N4CCCC4)nc(N4CCN(C)CC4)c3C2)ccc1O ZINC000096281815 569390019 /nfs/dbraw/zinc/39/00/19/569390019.db2.gz KYOBGFXPZKZDNS-UHFFFAOYSA-N 0 0 438.576 2.101 50 0 IEAARN COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)COC ZINC000096288603 569390455 /nfs/dbraw/zinc/39/04/55/569390455.db2.gz KHASMOWIERWAJI-UHFFFAOYSA-N 0 0 441.477 2.223 50 0 IEAARN COc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O ZINC000096307765 569392295 /nfs/dbraw/zinc/39/22/95/569392295.db2.gz IWPTUXYXRVIBIF-UHFFFAOYSA-N 0 0 431.445 2.171 50 0 IEAARN CCCn1c2nn(CC(=O)c3ccc(OC)c(OC)c3)c(=O)n2c2ccsc2c1=O ZINC000096321852 569394311 /nfs/dbraw/zinc/39/43/11/569394311.db2.gz IEFZVPOYUKOLFD-UHFFFAOYSA-N 0 0 428.470 2.183 50 0 IEAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3oc2=O)no1 ZINC000096322090 569394404 /nfs/dbraw/zinc/39/44/04/569394404.db2.gz CSILEVHFXYFADF-UHFFFAOYSA-N 0 0 428.470 2.409 50 0 IEAARN Cc1ccc(C)c(-c2cc3c4nnc(CCC(=O)N5CCC(C(N)=O)CC5)n4ccn3n2)c1 ZINC000096322413 569394604 /nfs/dbraw/zinc/39/46/04/569394604.db2.gz HYESCXDNBFHJIH-UHFFFAOYSA-N 0 0 445.527 2.317 50 0 IEAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000096323378 569395201 /nfs/dbraw/zinc/39/52/01/569395201.db2.gz MJGSUFGDGQLYPF-UHFFFAOYSA-N 0 0 434.562 2.165 50 0 IEAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000096323431 569395210 /nfs/dbraw/zinc/39/52/10/569395210.db2.gz QNMUHZBAMWIJHX-UHFFFAOYSA-N 0 0 434.562 2.301 50 0 IEAARN COc1ccc(C2(C(=O)N3CCN(C(=O)c4cc(-c5cccnc5)n[nH]4)CC3)CC2)cc1 ZINC000096324943 569396114 /nfs/dbraw/zinc/39/61/14/569396114.db2.gz RJBZOTILVUMAOZ-UHFFFAOYSA-N 0 0 431.496 2.497 50 0 IEAARN COc1ccc(CNC(=O)C2CCN(c3nc4nc[nH]c(=O)c4s3)CC2)c(OC)c1 ZINC000096331599 569396386 /nfs/dbraw/zinc/39/63/86/569396386.db2.gz HBWJZMWSLMMDNY-UHFFFAOYSA-N 0 0 429.502 2.342 50 0 IEAARN COc1cc(NC(=O)NC2CCN(c3nc4cccnc4n(C)c3=O)CC2)cc(OC)c1 ZINC000096333223 569396520 /nfs/dbraw/zinc/39/65/20/569396520.db2.gz AOZGHFLSWRGNSH-UHFFFAOYSA-N 0 0 438.488 2.136 50 0 IEAARN CCCc1sc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc1C(=O)OC ZINC000096344725 569397025 /nfs/dbraw/zinc/39/70/25/569397025.db2.gz MAOBAYKCIBBLET-CYBMUJFWSA-N 0 0 430.486 2.352 50 0 IEAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)CC1 ZINC000096345419 569397220 /nfs/dbraw/zinc/39/72/20/569397220.db2.gz WGMLIESLINJYTM-OAHLLOKOSA-N 0 0 437.475 2.412 50 0 IEAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000096357194 569397446 /nfs/dbraw/zinc/39/74/46/569397446.db2.gz GSNRFRQCVDLLLC-UHFFFAOYSA-N 0 0 446.573 2.057 50 0 IEAARN Cc1cc(C)n(CCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(Cl)cc4)n3)CC2)n1 ZINC000096358580 569397511 /nfs/dbraw/zinc/39/75/11/569397511.db2.gz TVFDSILLCFQCGJ-UHFFFAOYSA-N 0 0 440.935 2.438 50 0 IEAARN Cc1oc(C2CCN(S(=O)(=O)c3cccc(C)c3)CC2)nc1C(=O)N1CCOCC1 ZINC000096397171 569399478 /nfs/dbraw/zinc/39/94/78/569399478.db2.gz LCIYKFNDSGEIQX-UHFFFAOYSA-N 0 0 433.530 2.332 50 0 IEAARN COc1cccc(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c1 ZINC000096397174 569399479 /nfs/dbraw/zinc/39/94/79/569399479.db2.gz UXDJZSVQEMRVJW-UHFFFAOYSA-N 0 0 449.529 2.032 50 0 IEAARN Cc1oc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096397177 569399484 /nfs/dbraw/zinc/39/94/84/569399484.db2.gz XNOFQPMKDJGCMR-UHFFFAOYSA-N 0 0 433.530 2.332 50 0 IEAARN CC(C)N1CCN(C(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)CC1 ZINC000096399503 569399964 /nfs/dbraw/zinc/39/99/64/569399964.db2.gz LFPZSWUQVKMFJZ-UHFFFAOYSA-N 0 0 428.605 2.313 50 0 IEAARN O=C(CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1ccnn1C1CCCC1 ZINC000096908319 569402440 /nfs/dbraw/zinc/40/24/40/569402440.db2.gz TXEVVYQQRXDFND-UHFFFAOYSA-N 0 0 428.512 2.332 50 0 IEAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000096905387 569402471 /nfs/dbraw/zinc/40/24/71/569402471.db2.gz ZSVNVDFUJFJOGM-MRXNPFEDSA-N 0 0 436.434 2.179 50 0 IEAARN Cc1ccc(-c2noc(CN3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)n2)cc1 ZINC000096941308 569402649 /nfs/dbraw/zinc/40/26/49/569402649.db2.gz YJGBGMQTOJHPDW-UHFFFAOYSA-N 0 0 431.496 2.459 50 0 IEAARN Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000225581924 569404810 /nfs/dbraw/zinc/40/48/10/569404810.db2.gz IFTRZHKAKFUSKI-UHFFFAOYSA-N 0 0 427.530 2.107 50 0 IEAARN O=C(c1cc2n(n1)CCCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000225604135 569405546 /nfs/dbraw/zinc/40/55/46/569405546.db2.gz JSSMAOYLMBRZLT-UHFFFAOYSA-N 0 0 428.558 2.245 50 0 IEAARN O=C(CCc1ccccc1Br)N1CC(n2cc(CN3CCCC3=O)nn2)C1 ZINC000225631304 569406192 /nfs/dbraw/zinc/40/61/92/569406192.db2.gz IPJHMTGGTYCBCN-UHFFFAOYSA-N 0 0 432.322 2.179 50 0 IEAARN Cc1nc(N2CCC(NC(=O)c3cccc(-n4cnnn4)c3)CC2)cc(C(F)(F)F)n1 ZINC000225724901 569407567 /nfs/dbraw/zinc/40/75/67/569407567.db2.gz MBFLDANQOBGAAS-UHFFFAOYSA-N 0 0 432.410 2.178 50 0 IEAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225760020 569408188 /nfs/dbraw/zinc/40/81/88/569408188.db2.gz DUQZPCKGZCZEME-UHFFFAOYSA-N 0 0 449.916 2.378 50 0 IEAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCc2nc3ccc(F)cn3c(=O)c2C1 ZINC000225783032 569408569 /nfs/dbraw/zinc/40/85/69/569408569.db2.gz FFMSBWGXNQBOIG-UHFFFAOYSA-N 0 0 437.399 2.028 50 0 IEAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000002642447 569413802 /nfs/dbraw/zinc/41/38/02/569413802.db2.gz FHEAKFLOZRQRKH-IBGZPJMESA-N 0 0 435.267 2.498 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 ZINC000002644194 569414040 /nfs/dbraw/zinc/41/40/40/569414040.db2.gz DWYZHCQBUQPWOG-UHFFFAOYSA-N 0 0 431.543 2.463 50 0 IEAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 ZINC000215725470 569414210 /nfs/dbraw/zinc/41/42/10/569414210.db2.gz PPGYBGMCMBBOTE-OAQYLSRUSA-N 0 0 435.480 2.130 50 0 IEAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)ccc12 ZINC000002658980 569415704 /nfs/dbraw/zinc/41/57/04/569415704.db2.gz SDFAFJSDEOEBNC-UHFFFAOYSA-N 0 0 425.393 2.433 50 0 IEAARN CCOC(=O)c1ccn2c1[nH]c(CSc1nnc(-c3cc(C)n(C)n3)n1CC)cc2=O ZINC000002783560 569421331 /nfs/dbraw/zinc/42/13/31/569421331.db2.gz FRUVDCLFCVXAOH-UHFFFAOYSA-N 0 0 441.517 2.417 50 0 IEAARN CCn1c(SCc2nc3c4cnnc-4ncn3[nH]2)nnc1-c1cc(C(F)(F)F)nn1C ZINC000002803815 569422579 /nfs/dbraw/zinc/42/25/79/569422579.db2.gz GKDMLAXXTIGEKW-UHFFFAOYSA-N 0 0 449.426 2.324 50 0 IEAARN Cc1c(C(=O)Nc2cc(F)ccc2C)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12 ZINC000002912136 569425008 /nfs/dbraw/zinc/42/50/08/569425008.db2.gz XUSNUXZJAZBYIT-UHFFFAOYSA-N 0 0 444.488 2.325 50 0 IEAARN CCOC(=O)C1C(C(F)(F)F)=Nc2nnnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000002916535 569425118 /nfs/dbraw/zinc/42/51/18/569425118.db2.gz DGDGTTCSZBHAAE-CYBMUJFWSA-N 0 0 429.355 2.093 50 0 IEAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1cccc(C)c1 ZINC000002928760 569426018 /nfs/dbraw/zinc/42/60/18/569426018.db2.gz ZKNOMPBVDZBUMN-MRXNPFEDSA-N 0 0 449.554 2.479 50 0 IEAARN O=C(NCCN1CCN(c2ccccc2)CC1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000056925364 569427696 /nfs/dbraw/zinc/42/76/96/569427696.db2.gz KCRXIFHSDNUPKQ-IBGZPJMESA-N 0 0 425.508 2.052 50 0 IEAARN O=C(NCc1ccco1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945585 569428050 /nfs/dbraw/zinc/42/80/50/569428050.db2.gz XTSNWITUJLDJRU-HXUWFJFHSA-N 0 0 440.475 2.308 50 0 IEAARN O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945845 569428173 /nfs/dbraw/zinc/42/81/73/569428173.db2.gz TWIHWHHHDJHUCZ-FQEVSTJZSA-N 0 0 440.475 2.308 50 0 IEAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN(c3ncccn3)CC2)cc1 ZINC000057363713 569432076 /nfs/dbraw/zinc/43/20/76/569432076.db2.gz VIWXDYHVCVWODT-UHFFFAOYSA-N 0 0 446.511 2.498 50 0 IEAARN COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415107 569434023 /nfs/dbraw/zinc/43/40/23/569434023.db2.gz BZJGYVHSBOIKQB-HXUWFJFHSA-N 0 0 441.919 2.338 50 0 IEAARN COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057416027 569434220 /nfs/dbraw/zinc/43/42/20/569434220.db2.gz LPZJOVLTKZCPPJ-INIZCTEOSA-N 0 0 436.534 2.082 50 0 IEAARN CCOC(=O)C1CCN(C(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)CC1 ZINC000057428898 569434979 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443.525 2.336 50 0 IEAARN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(F)cc3)cc2C1=O ZINC000039565901 569481788 /nfs/dbraw/zinc/48/17/88/569481788.db2.gz SBCOJZHESBZNGX-UHFFFAOYSA-N 0 0 442.443 2.274 50 0 IEAARN CCOc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 ZINC000039987735 569482333 /nfs/dbraw/zinc/48/23/33/569482333.db2.gz FZXNRVLXSJFCCI-UHFFFAOYSA-N 0 0 448.589 2.472 50 0 IEAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000040039966 569483378 /nfs/dbraw/zinc/48/33/78/569483378.db2.gz UGCDJKZLFZSJAJ-UHFFFAOYSA-N 0 0 438.575 2.315 50 0 IEAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O ZINC000040040059 569483380 /nfs/dbraw/zinc/48/33/80/569483380.db2.gz GGMCFKJPGQDTEQ-WNSKOXEYSA-N 0 0 427.501 2.314 50 0 IEAARN CCS(=O)(=O)N1CCC(NC(=O)Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000040050754 569484246 /nfs/dbraw/zinc/48/42/46/569484246.db2.gz YOJULSPNZHKHEF-UHFFFAOYSA-N 0 0 432.518 2.281 50 0 IEAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(OCC(N)=O)c2)cc1 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O=C(Nc1ccc(-n2cccn2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000040120992 569489506 /nfs/dbraw/zinc/48/95/06/569489506.db2.gz FYVOIUBTQMTDPV-UHFFFAOYSA-N 0 0 444.492 2.381 50 0 IEAARN [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000008952566 569489987 /nfs/dbraw/zinc/48/99/87/569489987.db2.gz VLUBABAGEKOXMU-RBBKRZOGSA-N 0 0 448.523 2.218 50 0 biogenic IEAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 ZINC000008954962 569490042 /nfs/dbraw/zinc/49/00/42/569490042.db2.gz RMVZJVXFICDGTL-UHFFFAOYSA-N 0 0 432.527 2.299 50 0 IEAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(OCCn3cncn3)c2)C1=O ZINC000040139043 569490741 /nfs/dbraw/zinc/49/07/41/569490741.db2.gz MKIGTEYVBNWGEZ-HSZRJFAPSA-N 0 0 448.483 2.153 50 0 IEAARN CCOc1ccccc1CN(C[C@H](C)O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000040138980 569490777 /nfs/dbraw/zinc/49/07/77/569490777.db2.gz YZLLXDPCTGLGDQ-JKSUJKDBSA-N 0 0 435.546 2.386 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)o1 ZINC000040145607 569492147 /nfs/dbraw/zinc/49/21/47/569492147.db2.gz WBZFUUOSPLJEDZ-UHFFFAOYSA-N 0 0 440.525 2.418 50 0 IEAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(N4CCCS4(=O)=O)c3)cn2)n1 ZINC000040145589 569492157 /nfs/dbraw/zinc/49/21/57/569492157.db2.gz NZPMKANEGVCOGP-UHFFFAOYSA-N 0 0 425.514 2.354 50 0 IEAARN Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)NC(=O)NCCc3cccs3)C2)n1 ZINC000040149585 569492573 /nfs/dbraw/zinc/49/25/73/569492573.db2.gz NFGGVMUIEYQGMY-INIZCTEOSA-N 0 0 429.546 2.171 50 0 IEAARN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000040149834 569492635 /nfs/dbraw/zinc/49/26/35/569492635.db2.gz SSJOMRJQPITZMS-ZDUSSCGKSA-N 0 0 431.356 2.225 50 0 IEAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC(NC(=O)c3ccncc3)CC1)C2=O ZINC000040151775 569493389 /nfs/dbraw/zinc/49/33/89/569493389.db2.gz AXRNWIYDVXRJIW-UHFFFAOYSA-N 0 0 434.496 2.187 50 0 IEAARN NS(=O)(=O)c1ccc(OCCSCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000040152786 569493493 /nfs/dbraw/zinc/49/34/93/569493493.db2.gz UGNNDSXBKRJUAO-UHFFFAOYSA-N 0 0 446.453 2.406 50 0 IEAARN COC(=O)c1cnc(NC[C@H]2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153547 569493605 /nfs/dbraw/zinc/49/36/05/569493605.db2.gz WAPUSVFOLHHGSU-QGZVFWFLSA-N 0 0 445.541 2.421 50 0 IEAARN Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](CO)NC(=O)c1ccccc1 ZINC000040156480 569494158 /nfs/dbraw/zinc/49/41/58/569494158.db2.gz VNUWSIWECVXMTE-INIZCTEOSA-N 0 0 435.274 2.030 50 0 IEAARN CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1 ZINC000040157393 569494334 /nfs/dbraw/zinc/49/43/34/569494334.db2.gz KSTGUZUKKOOXOI-SFHVURJKSA-N 0 0 434.539 2.195 50 0 IEAARN CC(=O)c1sc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)nc1C ZINC000008986966 569494861 /nfs/dbraw/zinc/49/48/61/569494861.db2.gz HXQRQDJPULVNMV-UHFFFAOYSA-N 0 0 431.503 2.161 50 0 IEAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 ZINC000008994069 569495513 /nfs/dbraw/zinc/49/55/13/569495513.db2.gz CCNKDDNCYCIGEF-PZPWOCDFSA-N 0 0 441.484 2.209 50 0 IEAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000008995349 569495641 /nfs/dbraw/zinc/49/56/41/569495641.db2.gz GFKBGRYIRJXRIR-SFHVURJKSA-N 0 0 446.558 2.009 50 0 IEAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1 ZINC000244975094 569496705 /nfs/dbraw/zinc/49/67/05/569496705.db2.gz IBDNYWWMIULSNZ-HXUWFJFHSA-N 0 0 446.506 2.209 50 0 IEAARN O=C(c1ccc(OC[C@@H]2CCCO2)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000244983894 569496744 /nfs/dbraw/zinc/49/67/44/569496744.db2.gz IWDSXTMTJHOHIG-IBGZPJMESA-N 0 0 425.485 2.326 50 0 IEAARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3F)c2=O)c1 ZINC000009016170 569496757 /nfs/dbraw/zinc/49/67/57/569496757.db2.gz PAALUAUKJJWBHB-UHFFFAOYSA-N 0 0 435.459 2.284 50 0 IEAARN COc1ccccc1OCC(=O)NCCn1ncc2c1ncn(Cc1ccc(C)cc1)c2=O ZINC000009016311 569496780 /nfs/dbraw/zinc/49/67/80/569496780.db2.gz HYDKDMLVTBQOMD-UHFFFAOYSA-N 0 0 447.495 2.154 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@@H]3C3OCCO3)CC2)cc1C ZINC000069197299 569496922 /nfs/dbraw/zinc/49/69/22/569496922.db2.gz GWAYTMNLUGYYCP-HXUWFJFHSA-N 0 0 436.574 2.458 50 0 IEAARN CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2=O)cc1 ZINC000009036025 569497339 /nfs/dbraw/zinc/49/73/39/569497339.db2.gz RGSBXQRQWXHXHA-INIZCTEOSA-N 0 0 431.514 2.375 50 0 IEAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccc(Cl)cc2)n1 ZINC000009038129 569497359 /nfs/dbraw/zinc/49/73/59/569497359.db2.gz BQTQKZABLBMDKK-UHFFFAOYSA-N 0 0 428.880 2.125 50 0 IEAARN CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1nnc(COC)s1 ZINC000040283492 569497826 /nfs/dbraw/zinc/49/78/26/569497826.db2.gz DUKYWCKDAWAHGB-HXUWFJFHSA-N 0 0 429.502 2.402 50 0 IEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)c1 ZINC000009051098 569498665 /nfs/dbraw/zinc/49/86/65/569498665.db2.gz MAXLVMLYTZAEJM-QGZVFWFLSA-N 0 0 448.541 2.313 50 0 IEAARN CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)c1 ZINC000009060588 569499493 /nfs/dbraw/zinc/49/94/93/569499493.db2.gz 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C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccccn3)ccc2N1C(=O)C1CC1 ZINC000009118117 569503215 /nfs/dbraw/zinc/50/32/15/569503215.db2.gz GUPIGIWGVVVDEG-CQSZACIVSA-N 0 0 428.514 2.028 50 0 IEAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3ccccn3)C(C)C)cc2C[C@@H]1C ZINC000009118219 569503268 /nfs/dbraw/zinc/50/32/68/569503268.db2.gz JRULSANVDXDNNS-VBKZILBWSA-N 0 0 430.530 2.321 50 0 IEAARN CCOC(=O)C1CCN(S(=O)(=O)[C@H]2CON(C)[C@H]2c2ccc(F)c(Cl)c2)CC1 ZINC000245328335 569503809 /nfs/dbraw/zinc/50/38/09/569503809.db2.gz NFYRIWCMCDMVAJ-IRXDYDNUSA-N 0 0 434.917 2.371 50 0 IEAARN NC(=O)c1ccsc1NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000009120457 569503886 /nfs/dbraw/zinc/50/38/86/569503886.db2.gz IWGWWDAZLVWIDG-UHFFFAOYSA-N 0 0 433.461 2.020 50 0 IEAARN CCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)c1ccccc1)c(=O)n2Cc1ccccc1 ZINC000009120701 569503968 /nfs/dbraw/zinc/50/39/68/569503968.db2.gz GVMSTZYWXKADMX-KRWDZBQOSA-N 0 0 431.496 2.305 50 0 IEAARN CCOC(=O)C1=C(CSCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)NC(=O)N[C@H]1C ZINC000009126614 569504992 /nfs/dbraw/zinc/50/49/92/569504992.db2.gz XNCKSPZCHJPURO-AWEZNQCLSA-N 0 0 449.529 2.037 50 0 IEAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2n1 ZINC000009126790 569505021 /nfs/dbraw/zinc/50/50/21/569505021.db2.gz FPEUMKRXFXUONS-INIZCTEOSA-N 0 0 430.555 2.409 50 0 IEAARN Cn1c2nc3n(cc(-c4ccc5c(c4)OCO5)n3-c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000009126730 569505024 /nfs/dbraw/zinc/50/50/24/569505024.db2.gz IXZAYYPHWAOJKE-UHFFFAOYSA-N 0 0 433.399 2.210 50 0 IEAARN O=C(OCn1nnc2ccccc2c1=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009128385 569505403 /nfs/dbraw/zinc/50/54/03/569505403.db2.gz SICJEVPWSNLGNM-UHFFFAOYSA-N 0 0 426.860 2.498 50 0 IEAARN Cc1cc(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2cc(C)on2)no1 ZINC000009129518 569505780 /nfs/dbraw/zinc/50/57/80/569505780.db2.gz FDUHHRURRADHKU-UHFFFAOYSA-N 0 0 431.430 2.201 50 0 IEAARN CCc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009129958 569505913 /nfs/dbraw/zinc/50/59/13/569505913.db2.gz OIPPZIXUEUHPHN-UHFFFAOYSA-N 0 0 426.542 2.440 50 0 IEAARN CCOc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)cc1 ZINC000040478062 569506658 /nfs/dbraw/zinc/50/66/58/569506658.db2.gz TXQOGENXHPMOPU-UHFFFAOYSA-N 0 0 440.410 2.352 50 0 IEAARN O=C([C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H]1CO ZINC000009136088 569507179 /nfs/dbraw/zinc/50/71/79/569507179.db2.gz UBLSWCSNWVECMC-HRAATJIYSA-N 0 0 432.480 2.351 50 0 biogenic IEAARN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000069570309 569507363 /nfs/dbraw/zinc/50/73/63/569507363.db2.gz MLRDJISBFYGUED-UHFFFAOYSA-N 0 0 429.477 2.285 50 0 IEAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC)CC(=O)NCc2cccs2)c1C ZINC000009156499 569508330 /nfs/dbraw/zinc/50/83/30/569508330.db2.gz AJBIHXKDTMWYLC-UHFFFAOYSA-N 0 0 449.529 2.191 50 0 IEAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000009165790 569508805 /nfs/dbraw/zinc/50/88/05/569508805.db2.gz CLRMEAXFUKUOKA-RTBURBONSA-N 0 0 430.526 2.061 50 0 IEAARN COCCNC(=O)c1c2c(sc1NC(=O)CSc1nnnn1C1CC1)CCCC2 ZINC000009218065 569512367 /nfs/dbraw/zinc/51/23/67/569512367.db2.gz VUKVHMKIDBOKDV-UHFFFAOYSA-N 0 0 436.563 2.055 50 0 IEAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009222587 569512810 /nfs/dbraw/zinc/51/28/10/569512810.db2.gz FOJUQEYQFAHHHC-UHFFFAOYSA-N 0 0 448.545 2.054 50 0 IEAARN CCn1c(COC(=O)c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009224108 569513099 /nfs/dbraw/zinc/51/30/99/569513099.db2.gz WTJUPXZEHNQBBA-UHFFFAOYSA-N 0 0 445.497 2.435 50 0 IEAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000009226137 569513216 /nfs/dbraw/zinc/51/32/16/569513216.db2.gz QEIQIOHZEPZMQB-UHFFFAOYSA-N 0 0 429.498 2.451 50 0 IEAARN COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 ZINC000009238865 569514418 /nfs/dbraw/zinc/51/44/18/569514418.db2.gz BEMXAHSIBSTORR-ROUUACIJSA-N 0 0 425.514 2.475 50 0 IEAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)c1ccc[nH]1 ZINC000009244508 569515109 /nfs/dbraw/zinc/51/51/09/569515109.db2.gz VLJBTUWVCCVMJE-UHFFFAOYSA-N 0 0 434.543 2.380 50 0 IEAARN O=C(NC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000009245312 569515255 /nfs/dbraw/zinc/51/52/55/569515255.db2.gz HCXNCGDUODVCCP-HNNXBMFYSA-N 0 0 445.472 2.377 50 0 IEAARN O=C(OCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009254635 569516397 /nfs/dbraw/zinc/51/63/97/569516397.db2.gz DYFSCBDWWGHZDZ-QGZVFWFLSA-N 0 0 448.884 2.290 50 0 IEAARN O=C(COc1cccc2cccnc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009256797 569516740 /nfs/dbraw/zinc/51/67/40/569516740.db2.gz RRNCYWWRCYHJBH-UHFFFAOYSA-N 0 0 425.510 2.288 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000009257598 569516862 /nfs/dbraw/zinc/51/68/62/569516862.db2.gz UMHSNWPRJDVKCQ-UHFFFAOYSA-N 0 0 431.514 2.059 50 0 IEAARN CCOc1ccc(NC(=O)CN2C(=O)N(c3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009269443 569517627 /nfs/dbraw/zinc/51/76/27/569517627.db2.gz HYZINFQZNAGLIQ-RBUKOAKNSA-N 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/nfs/dbraw/zinc/89/09/71/523890971.db2.gz BICZZGMFEHELGJ-UHFFFAOYSA-N 0 0 449.551 2.408 50 0 IEAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC ZINC000020761972 523899469 /nfs/dbraw/zinc/89/94/69/523899469.db2.gz SBXSDULAFLHQOV-MAUKXSAKSA-N 0 0 448.545 2.379 50 0 biogenic IEAARN COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036059198 523913008 /nfs/dbraw/zinc/91/30/08/523913008.db2.gz LXVLUQXIISWECC-VQTJNVASSA-N 0 0 430.476 2.461 50 0 IEAARN COCCNC(=O)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036059207 523920805 /nfs/dbraw/zinc/92/08/05/523920805.db2.gz VRGKJOKISZAHAU-SFTDATJTSA-N 0 0 442.512 2.331 50 0 IEAARN CCc1ccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)cc1 ZINC000021919693 523933662 /nfs/dbraw/zinc/93/36/62/523933662.db2.gz HJJXNHWBBHMDPF-RUZDIDTESA-N 0 0 432.524 2.481 50 0 IEAARN COc1ccc(CCN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000012877692 523938734 /nfs/dbraw/zinc/93/87/34/523938734.db2.gz 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COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2C3CC4CC(C3)CC2C4)cc1OC ZINC000012093007 524034578 /nfs/dbraw/zinc/03/45/78/524034578.db2.gz PINZQRXVFWVWQE-JFWWPOKHSA-N 0 0 441.572 2.335 50 0 IEAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O ZINC000012484951 524043084 /nfs/dbraw/zinc/04/30/84/524043084.db2.gz FQPGYCQTYBEJGY-UHFFFAOYSA-N 0 0 439.394 2.203 50 0 IEAARN COc1ccc(CNC(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015775251 524045775 /nfs/dbraw/zinc/04/57/75/524045775.db2.gz OIIGCCAVDMANNK-UHFFFAOYSA-N 0 0 427.476 2.119 50 0 IEAARN CNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CC1 ZINC000012583985 524049275 /nfs/dbraw/zinc/04/92/75/524049275.db2.gz KLALIXASIOMZBN-UHFFFAOYSA-N 0 0 431.514 2.094 50 0 IEAARN COc1ccc(CNC(=O)c2nc(Cn3nc(-c4ccc(F)cc4)ccc3=O)no2)cc1 ZINC000033292461 524068189 /nfs/dbraw/zinc/06/81/89/524068189.db2.gz VDNYXFWBQFXGSN-UHFFFAOYSA-N 0 0 435.415 2.419 50 0 IEAARN COc1ccc(CNS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000020933179 524074098 /nfs/dbraw/zinc/07/40/98/524074098.db2.gz LECIWNCPACHKLR-UHFFFAOYSA-N 0 0 437.477 2.365 50 0 IEAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)C1 ZINC000012793167 524104283 /nfs/dbraw/zinc/10/42/83/524104283.db2.gz MCBSXYSHSIAEJL-INIZCTEOSA-N 0 0 440.525 2.456 50 0 IEAARN C[C@H]1CCCN(c2nn3c(ncc(C(=O)NCc4ccc5c(c4)OCO5)c3=O)s2)C1 ZINC000021537590 524108868 /nfs/dbraw/zinc/10/88/68/524108868.db2.gz DSGJBNRVEYRYDV-LBPRGKRZSA-N 0 0 427.486 2.046 50 0 IEAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4ccc5ccccc5c4)CN3C2=O)cc1 ZINC000014533706 524141818 /nfs/dbraw/zinc/14/18/18/524141818.db2.gz KFLORAFUJZMBTR-PMVMPFDFSA-N 0 0 443.503 2.289 50 0 IEAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)Nc4cccc(Cl)c4)CN3C2=O)cc1 ZINC000014747316 524143153 /nfs/dbraw/zinc/14/31/53/524143153.db2.gz YMAPYQRIGFITPG-WDSOQIARSA-N 0 0 442.903 2.181 50 0 IEAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000022916020 524159517 /nfs/dbraw/zinc/15/95/17/524159517.db2.gz 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COc1ccc(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)c(OC)c1 ZINC000022609406 524392154 /nfs/dbraw/zinc/39/21/54/524392154.db2.gz LLWFGWLLONZBSQ-SFHVURJKSA-N 0 0 426.469 2.411 50 0 biogenic IEAARN Cc1cccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCCC(C)C)N(C)C3=O)c1 ZINC000021875735 524425263 /nfs/dbraw/zinc/42/52/63/524425263.db2.gz WOSCHSHRDUWCGQ-QHCPKHFHSA-N 0 0 425.533 2.128 50 0 IEAARN Cc1cccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1 ZINC000021874811 524425984 /nfs/dbraw/zinc/42/59/84/524425984.db2.gz BZWWVQPLTCOFQU-XMMPIXPASA-N 0 0 437.544 2.415 50 0 IEAARN COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1Cl ZINC000011866629 524444573 /nfs/dbraw/zinc/44/45/73/524444573.db2.gz JUTCTFBRQCOECK-CQSZACIVSA-N 0 0 431.876 2.279 50 0 IEAARN COc1ccc(N2C[C@H](C(=O)N3CCN(C)c4nc5ccccc5nc43)CC2=O)cc1OC ZINC000012913646 524444869 /nfs/dbraw/zinc/44/48/69/524444869.db2.gz BPZFBTRHFIRPSZ-OAHLLOKOSA-N 0 0 447.495 2.483 50 0 IEAARN COc1ccccc1CNC(=O)CSCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000011866073 524465706 /nfs/dbraw/zinc/46/57/06/524465706.db2.gz NSPHCALIRXAVLP-UHFFFAOYSA-N 0 0 429.498 2.499 50 0 IEAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)cc1OC ZINC000021531345 524493348 /nfs/dbraw/zinc/49/33/48/524493348.db2.gz KMMZVRXZARPAOI-UHFFFAOYSA-N 0 0 437.493 2.234 50 0 IEAARN COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(C)ccc3OC)CC2)cc1 ZINC000020766777 524495950 /nfs/dbraw/zinc/49/59/50/524495950.db2.gz GAHXDJZSTWLHBH-UHFFFAOYSA-N 0 0 426.517 2.207 50 0 IEAARN Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000021111973 524499212 /nfs/dbraw/zinc/49/92/12/524499212.db2.gz VZGXGANTNMIUMH-UHFFFAOYSA-N 0 0 441.553 2.279 50 0 IEAARN COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000023654058 524500554 /nfs/dbraw/zinc/50/05/54/524500554.db2.gz AKPWVTIXCIGAKY-PEBXRYMYSA-N 0 0 431.489 2.314 50 0 IEAARN Cc1cccc(N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)Cc2ccccc2)c1 ZINC000012780138 524521515 /nfs/dbraw/zinc/52/15/15/524521515.db2.gz VXHCCSUDLFQKSB-QHCPKHFHSA-N 0 0 441.597 2.333 50 0 IEAARN COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000016651717 524543373 /nfs/dbraw/zinc/54/33/73/524543373.db2.gz LCLOTIBNRLJYPN-UHFFFAOYSA-N 0 0 431.558 2.227 50 0 IEAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(F)cc2C)cc1 ZINC000015680280 524546593 /nfs/dbraw/zinc/54/65/93/524546593.db2.gz LHUASDHUTDCAOL-JOCHJYFZSA-N 0 0 447.532 2.126 50 0 IEAARN COc1ccccc1N1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)CC1 ZINC000012551517 524549345 /nfs/dbraw/zinc/54/93/45/524549345.db2.gz CGAXVSXAZLVCGS-NRFANRHFSA-N 0 0 431.558 2.347 50 0 IEAARN Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCc4ccccc4)cc3C(=O)N2C)cc1 ZINC000021877010 524554364 /nfs/dbraw/zinc/55/43/64/524554364.db2.gz DGONZNWIGGCLKA-VWLOTQADSA-N 0 0 445.523 2.282 50 0 IEAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)o1 ZINC000021877298 524555877 /nfs/dbraw/zinc/55/58/77/524555877.db2.gz LDJUPIDCVRCLDL-DEOSSOPVSA-N 0 0 449.511 2.184 50 0 IEAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)CC1 ZINC000035482437 524559840 /nfs/dbraw/zinc/55/98/40/524559840.db2.gz DVBLMNDAEXEMMH-UHFFFAOYSA-N 0 0 446.573 2.089 50 0 IEAARN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1C ZINC000020614178 524576444 /nfs/dbraw/zinc/57/64/44/524576444.db2.gz YHTQWYPZMAENAA-IBGZPJMESA-N 0 0 425.485 2.160 50 0 IEAARN Cc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)c1 ZINC000022909134 524601038 /nfs/dbraw/zinc/60/10/38/524601038.db2.gz SABBBLMQICIYPQ-UHFFFAOYSA-N 0 0 442.585 2.494 50 0 IEAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)[nH]n2)c(OC)c1 ZINC000021806123 524623991 /nfs/dbraw/zinc/62/39/91/524623991.db2.gz KTXLYUDOBFNNHN-UHFFFAOYSA-N 0 0 432.458 2.002 50 0 IEAARN COc1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000035110911 524682753 /nfs/dbraw/zinc/68/27/53/524682753.db2.gz OCQWYALNONAHLB-ZROIWOOFSA-N 0 0 438.527 2.129 50 0 IEAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(Cl)c2)C1=O ZINC000012006042 524749269 /nfs/dbraw/zinc/74/92/69/524749269.db2.gz DGGDMXRYKJNDLH-NSHDSACASA-N 0 0 436.873 2.311 50 0 IEAARN COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000012773751 524797928 /nfs/dbraw/zinc/79/79/28/524797928.db2.gz QODFWXXCOMCNOT-DHZHZOJOSA-N 0 0 430.526 2.391 50 0 IEAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)c1 ZINC000021027063 524832747 /nfs/dbraw/zinc/83/27/47/524832747.db2.gz KOKRIXCEKHLRLK-CQSZACIVSA-N 0 0 445.545 2.215 50 0 IEAARN COc1ccc(OC)c(N2C(=O)c3ccccc3/C(=C\N[C@H]3CCS(=O)(=O)C3)C2=O)c1 ZINC000020519069 524843839 /nfs/dbraw/zinc/84/38/39/524843839.db2.gz DXGJDVBKZKPALU-QCUKBLKESA-N 0 0 442.493 2.008 50 0 IEAARN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CN2CCN(C(C)=O)CC2)cc1=O ZINC000022698580 524887454 /nfs/dbraw/zinc/88/74/54/524887454.db2.gz KTOHOBQPRITYTH-UHFFFAOYSA-N 0 0 446.935 2.122 50 0 IEAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C[C@H](C)O1 ZINC000021063313 524889906 /nfs/dbraw/zinc/88/99/06/524889906.db2.gz WWIMFZOAJZVSQU-OKILXGFUSA-N 0 0 443.997 2.398 50 0 IEAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 ZINC000021049095 524891209 /nfs/dbraw/zinc/89/12/09/524891209.db2.gz CVBWABCXXKLQLS-ZIAGYGMSSA-N 0 0 431.986 2.208 50 0 IEAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCCCCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020848688 524923800 /nfs/dbraw/zinc/92/38/00/524923800.db2.gz FHKQKBGTHHKNBN-MSOLQXFVSA-N 0 0 439.965 2.459 50 0 IEAARN Cc1ccc(N2C(=O)N([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)[C@@H]2C)cc1 ZINC000012819920 524924513 /nfs/dbraw/zinc/92/45/13/524924513.db2.gz RCMRPFKXQNQRLF-SJORKVTESA-N 0 0 438.484 2.118 50 0 IEAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1 ZINC000012697303 524948093 /nfs/dbraw/zinc/94/80/93/524948093.db2.gz LITWWZMDUFCHCQ-BXKMTCNYSA-N 0 0 446.511 2.388 50 0 IEAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3CCCCCC3)ccc2N1C(=O)C1CC1 ZINC000020529722 524981683 /nfs/dbraw/zinc/98/16/83/524981683.db2.gz AGRLNIVLHCMOFB-INIZCTEOSA-N 0 0 433.574 2.445 50 0 IEAARN Cc1cc(F)ccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020928023 524982644 /nfs/dbraw/zinc/98/26/44/524982644.db2.gz VUJHEXYJCLTLCR-OAQYLSRUSA-N 0 0 439.553 2.340 50 0 IEAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000018082998 524999874 /nfs/dbraw/zinc/99/98/74/524999874.db2.gz BKLKZPAGBFPGHS-UHFFFAOYSA-N 0 0 435.502 2.029 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000012921921 525020921 /nfs/dbraw/zinc/02/09/21/525020921.db2.gz YAJCHCPSYRIMMG-UHFFFAOYSA-N 0 0 438.571 2.444 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000012748750 525021274 /nfs/dbraw/zinc/02/12/74/525021274.db2.gz CHXWADOADSTFLA-UHFFFAOYSA-N 0 0 446.497 2.105 50 0 IEAARN Cc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)c(Br)c1 ZINC000012876632 525033177 /nfs/dbraw/zinc/03/31/77/525033177.db2.gz MRNZVSGECNSPIT-FMKPAKJESA-N 0 0 444.351 2.103 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(SC)ncc3Cl)CC2)cc1 ZINC000022990653 525035802 /nfs/dbraw/zinc/03/58/02/525035802.db2.gz VZLGOFGFWZFHGO-UHFFFAOYSA-N 0 0 442.950 2.007 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000035483354 525040746 /nfs/dbraw/zinc/04/07/46/525040746.db2.gz URCZJZQELUWOSC-UHFFFAOYSA-N 0 0 448.520 2.025 50 0 IEAARN Cc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N(C)C ZINC000057286428 525052501 /nfs/dbraw/zinc/05/25/01/525052501.db2.gz MLTQEOWWNDKRRU-UHFFFAOYSA-N 0 0 434.537 2.145 50 0 IEAARN C[C@H]1Oc2ccccc2N(CC(=O)NCC(=O)Nc2ccccc2Br)C1=O ZINC000012926248 525067456 /nfs/dbraw/zinc/06/74/56/525067456.db2.gz HIDZSYVKCGIKFS-GFCCVEGCSA-N 0 0 432.274 2.318 50 0 IEAARN COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1NC(C)=O ZINC000012854465 525074331 /nfs/dbraw/zinc/07/43/31/525074331.db2.gz OFHGIFPVDDRWGB-HXUWFJFHSA-N 0 0 433.530 2.005 50 0 IEAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1 ZINC000012697290 525101370 /nfs/dbraw/zinc/10/13/70/525101370.db2.gz LITWWZMDUFCHCQ-OSPHWJPCSA-N 0 0 446.511 2.388 50 0 IEAARN Cc1ccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)c(C)c1 ZINC000021713924 525102432 /nfs/dbraw/zinc/10/24/32/525102432.db2.gz XATGMVDPUMUTTQ-UHFFFAOYSA-N 0 0 435.459 2.340 50 0 IEAARN COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)cc1 ZINC000023107529 525180784 /nfs/dbraw/zinc/18/07/84/525180784.db2.gz XPLSEMVRJBNRSI-HXUWFJFHSA-N 0 0 431.920 2.155 50 0 IEAARN COc1ccc([C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)N2CCOCC2)cc1OC ZINC000021199206 525183293 /nfs/dbraw/zinc/18/32/93/525183293.db2.gz NAMHJRRKWQHPID-QGZVFWFLSA-N 0 0 437.537 2.108 50 0 IEAARN COc1ccc([C@@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)c2nccn2C)cc1 ZINC000012547544 525192009 /nfs/dbraw/zinc/19/20/09/525192009.db2.gz VOKWTJXDVDQKPJ-GOSISDBHSA-N 0 0 434.543 2.017 50 0 IEAARN C[C@]1(C(=O)NC2CCCCC2)CN(S(C)(=O)=O)CC(=O)N1c1ccc(Cl)cc1 ZINC000020927881 525198739 /nfs/dbraw/zinc/19/87/39/525198739.db2.gz ZQAMAHUTIZZWBO-LJQANCHMSA-N 0 0 427.954 2.156 50 0 IEAARN Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000015680288 525221342 /nfs/dbraw/zinc/22/13/42/525221342.db2.gz ITAYWXDRJVOVFK-NRFANRHFSA-N 0 0 449.960 2.332 50 0 IEAARN C[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC000021886603 525236862 /nfs/dbraw/zinc/23/68/62/525236862.db2.gz CIDKHJMMNKQQIB-HNNXBMFYSA-N 0 0 442.497 2.249 50 0 IEAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245285413 525238647 /nfs/dbraw/zinc/23/86/47/525238647.db2.gz XDFGTOZNSFXOJX-UGKGYDQZSA-N 0 0 441.553 2.492 50 0 IEAARN CS(=O)(=O)c1cccc(-c2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)o2)c1 ZINC000035590038 525267532 /nfs/dbraw/zinc/26/75/32/525267532.db2.gz LSCNBCWNLPZUEN-CQSZACIVSA-N 0 0 426.454 2.132 50 0 IEAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)OCC(=O)Nc2ccc(Br)cc2)n1 ZINC000012909972 525283741 /nfs/dbraw/zinc/28/37/41/525283741.db2.gz WCRJPZWDJDERRN-UHFFFAOYSA-N 0 0 448.682 2.092 50 0 IEAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1 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555530173 /nfs/dbraw/zinc/53/01/73/555530173.db2.gz LCUWPOFFJVUPRB-UHFFFAOYSA-N 0 0 449.964 2.142 50 0 biogenic IEAARN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000810774 555560650 /nfs/dbraw/zinc/56/06/50/555560650.db2.gz YCXUDFYDNSTJIX-UHFFFAOYSA-N 0 0 426.516 2.289 50 0 IEAARN CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000000814423 555561339 /nfs/dbraw/zinc/56/13/39/555561339.db2.gz VTRKVVWOBKLFBF-IBGZPJMESA-N 0 0 445.526 2.112 50 0 IEAARN Cc1nc(S[C@H](C)C(=O)NC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525636 555562072 /nfs/dbraw/zinc/56/20/72/555562072.db2.gz UAJZWBNMVIYBFD-CYBMUJFWSA-N 0 0 433.578 2.384 50 0 IEAARN CCCS(=O)(=O)c1c2ccc(C(C)=O)cn2c(C(=O)OC)c1S(=O)(=O)CCC ZINC000000826064 555565188 /nfs/dbraw/zinc/56/51/88/555565188.db2.gz GLQFKGIBFUOIJO-UHFFFAOYSA-N 0 0 429.516 2.296 50 0 IEAARN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 ZINC000000868493 555574578 /nfs/dbraw/zinc/57/45/78/555574578.db2.gz 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443.554 2.169 50 0 IEAARN O=C(CSC(=S)N1CCOCC1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O ZINC000002425638 555778061 /nfs/dbraw/zinc/77/80/61/555778061.db2.gz BFANXKFXQACWJZ-GFCCVEGCSA-N 0 0 432.527 2.271 50 0 IEAARN CC(C)(C)OC[C@H](O)CN1CCN(Cc2nc(C(=O)NCC3CCCCC3)co2)CC1 ZINC000034677488 555795718 /nfs/dbraw/zinc/79/57/18/555795718.db2.gz DDBZMLWEKBJBSC-LJQANCHMSA-N 0 0 436.597 2.278 50 0 IEAARN CCOC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677514 555795753 /nfs/dbraw/zinc/79/57/53/555795753.db2.gz IMAMKTCFECNNGT-OAHLLOKOSA-N 0 0 440.903 2.234 50 0 IEAARN CC[C@@H](O)CN1CCO[C@H](CN(CC(C)C)C(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000034691320 555803803 /nfs/dbraw/zinc/80/38/03/555803803.db2.gz QZDGCCPUTONRPH-MOPGFXCFSA-N 0 0 438.565 2.282 50 0 IEAARN CCOC(=O)c1sc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)nc1C ZINC000002746227 555808930 /nfs/dbraw/zinc/80/89/30/555808930.db2.gz ONQBMADFHCPEOZ-UHFFFAOYSA-N 0 0 445.526 2.487 50 0 IEAARN CS(=O)(=O)CC[C@H](C(=O)OCc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 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444.488 2.167 50 0 IEAARN Cc1cccc(CN2CCn3c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc3C2=O)c1 ZINC000098213148 557236321 /nfs/dbraw/zinc/23/63/21/557236321.db2.gz QUMLAHLSPSYMEB-UHFFFAOYSA-N 0 0 425.876 2.301 50 0 IEAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000026244501 557238036 /nfs/dbraw/zinc/23/80/36/557238036.db2.gz VGGMQPUTNVRKLL-UHFFFAOYSA-N 0 0 435.889 2.468 50 0 IEAARN COc1cc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)ccc1NC(=O)c1cccnc1 ZINC000026243034 557238053 /nfs/dbraw/zinc/23/80/53/557238053.db2.gz YGPAXJVVGIDOAB-UHFFFAOYSA-N 0 0 444.451 2.231 50 0 IEAARN C[C@H]1CN(CCNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)C[C@H](C)O1 ZINC000026367728 557239718 /nfs/dbraw/zinc/23/97/18/557239718.db2.gz JNJQILYXCZLRAT-HOTGVXAUSA-N 0 0 442.541 2.087 50 0 IEAARN Cn1c2c(nc(Br)n2Cc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000026401118 557240401 /nfs/dbraw/zinc/24/04/01/557240401.db2.gz APSNFQSNOMXWSE-UHFFFAOYSA-N 0 0 433.184 2.143 50 0 IEAARN C[C@]1(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000026457802 557241357 /nfs/dbraw/zinc/24/13/57/557241357.db2.gz IDPMCHMSMLTPQQ-QAPCUYQASA-N 0 0 448.372 2.090 50 0 IEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000026687500 557246520 /nfs/dbraw/zinc/24/65/20/557246520.db2.gz RZMWHLWFHDQORL-FYXHJSOBSA-N 0 0 426.519 2.478 50 0 IEAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2Cl)no1 ZINC000604404073 557246966 /nfs/dbraw/zinc/24/69/66/557246966.db2.gz BNBDBKLHOCRMAE-INIZCTEOSA-N 0 0 439.859 2.190 50 0 IEAARN COc1ccc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC000026746731 557247537 /nfs/dbraw/zinc/24/75/37/557247537.db2.gz AVXXJVZHRRYLKX-UHFFFAOYSA-N 0 0 427.276 2.267 50 0 IEAARN O=C1COc2cc(S(=O)(=O)NCCc3ccc(F)cc3)c(Br)cc2N1 ZINC000026747804 557247574 /nfs/dbraw/zinc/24/75/74/557247574.db2.gz RETHIMJHVCYNFQ-UHFFFAOYSA-N 0 0 429.267 2.440 50 0 IEAARN COCc1nc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n[nH]1 ZINC000604405055 557248347 /nfs/dbraw/zinc/24/83/47/557248347.db2.gz PCOHOJGLFDSLQR-HXUWFJFHSA-N 0 0 446.467 2.485 50 0 biogenic IEAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccncc2)no1 ZINC000604419240 557251137 /nfs/dbraw/zinc/25/11/37/557251137.db2.gz VKQVAGIPFAOCHU-QUZZAMIASA-N 0 0 433.468 2.290 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000026940277 557252115 /nfs/dbraw/zinc/25/21/15/557252115.db2.gz QCHNHSOSZJPCOA-UHFFFAOYSA-N 0 0 426.498 2.028 50 0 IEAARN O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000026983952 557253161 /nfs/dbraw/zinc/25/31/61/557253161.db2.gz GMNARIPOJZFRBK-AWEZNQCLSA-N 0 0 426.844 2.371 50 0 IEAARN COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1OC ZINC000390830782 557253763 /nfs/dbraw/zinc/25/37/63/557253763.db2.gz NKKQOFMCLBRWIQ-IBGZPJMESA-N 0 0 425.528 2.254 50 0 IEAARN COc1ccc(Cc2nn3c(=O)/c(=C\C4=Cc5ccccc5OC4)sc3nc2=O)cc1 ZINC000027021426 557255156 /nfs/dbraw/zinc/25/51/56/557255156.db2.gz UFYFUZKVJHVTIY-UDWIEESQSA-N 0 0 431.473 2.086 50 0 IEAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027067401 557256585 /nfs/dbraw/zinc/25/65/85/557256585.db2.gz FJHSZZZRRVXBNB-UHFFFAOYSA-N 0 0 446.429 2.448 50 0 IEAARN Cc1cccc(N2CCN(C(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)CC2)c1 ZINC000027164287 557258453 /nfs/dbraw/zinc/25/84/53/557258453.db2.gz MJWWIZUMIUUJAE-UHFFFAOYSA-N 0 0 426.542 2.238 50 0 IEAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000027467897 557262546 /nfs/dbraw/zinc/26/25/46/557262546.db2.gz XFGIJPNARHLABY-HNNXBMFYSA-N 0 0 437.452 2.087 50 0 IEAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000027538874 557264396 /nfs/dbraw/zinc/26/43/96/557264396.db2.gz FFOCXXRQYFKYBM-VBKZILBWSA-N 0 0 431.439 2.276 50 0 IEAARN COC(=O)CN(C(=S)Nc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100605746 557265978 /nfs/dbraw/zinc/26/59/78/557265978.db2.gz JQLFSBZDTHPYBR-QGZVFWFLSA-N 0 0 427.482 2.199 50 0 IEAARN COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(OC)c1 ZINC000000822819 557268575 /nfs/dbraw/zinc/26/85/75/557268575.db2.gz SUALZYVDSIGTIG-QZTJIDSGSA-N 0 0 431.448 2.180 50 0 IEAARN COc1ccc(-c2noc(CN3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)n2)cc1 ZINC000022935590 557275028 /nfs/dbraw/zinc/27/50/28/557275028.db2.gz GXFYUOGJBQBMQU-QZTJIDSGSA-N 0 0 427.549 2.367 50 0 IEAARN CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NCc2ccccc2OC)C1=O ZINC000101451081 557285658 /nfs/dbraw/zinc/28/56/58/557285658.db2.gz ILRMDNCACMEPCR-QGZVFWFLSA-N 0 0 446.301 2.298 50 0 IEAARN CCOC(=O)C1CCN(c2c(=O)c(=O)c2N2CCN(c3cccc(C)c3)[C@H](C)C2)CC1 ZINC000101496872 557289485 /nfs/dbraw/zinc/28/94/85/557289485.db2.gz OOKRTLBLCRODKY-QGZVFWFLSA-N 0 0 425.529 2.086 50 0 IEAARN COc1ccc(CCNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000101698021 557293881 /nfs/dbraw/zinc/29/38/81/557293881.db2.gz IMBFSVKANINYPY-UHFFFAOYSA-N 0 0 435.524 2.277 50 0 IEAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100099720 557294537 /nfs/dbraw/zinc/29/45/37/557294537.db2.gz YXSUIYRYHPOHSZ-KDURUIRLSA-N 0 0 445.541 2.141 50 0 IEAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)cc1 ZINC000011666442 557300207 /nfs/dbraw/zinc/30/02/07/557300207.db2.gz VPZQAHWCFJLOCJ-UHFFFAOYSA-N 0 0 447.451 2.367 50 0 IEAARN COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)N2CCN(C)CC2)cc1 ZINC000013371582 557309126 /nfs/dbraw/zinc/30/91/26/557309126.db2.gz OEGWAAVYUMSQFN-HKWRFOASSA-N 0 0 439.512 2.257 50 0 IEAARN CC(C)C[C@@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102020234 557311958 /nfs/dbraw/zinc/31/19/58/557311958.db2.gz MJVGLNMZETUZHM-KSZLIROESA-N 0 0 427.549 2.329 50 0 IEAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102020870 557312126 /nfs/dbraw/zinc/31/21/26/557312126.db2.gz IDUHILHDQLCMOQ-IXDOHACOSA-N 0 0 442.468 2.263 50 0 IEAARN C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014161523 557312165 /nfs/dbraw/zinc/31/21/65/557312165.db2.gz FJGDFPLYYCISQK-HNAYVOBHSA-N 0 0 445.541 2.120 50 0 IEAARN COc1ccc(NC(C)=O)cc1N[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102122416 557312915 /nfs/dbraw/zinc/31/29/15/557312915.db2.gz XACUWODWHQHCMX-GOSISDBHSA-N 0 0 441.484 2.453 50 0 IEAARN CCOc1ccc(S(=O)(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000102304204 557316024 /nfs/dbraw/zinc/31/60/24/557316024.db2.gz PHTGCJZNPIHAEI-MRXNPFEDSA-N 0 0 437.905 2.162 50 0 IEAARN CNS(=O)(=O)Cc1ccc(CNC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000014201652 557317654 /nfs/dbraw/zinc/31/76/54/557317654.db2.gz BRFXYMCJWMUJAS-UHFFFAOYSA-N 0 0 432.477 2.174 50 0 IEAARN Cc1ccc(Nc2nc(N)nc(COC(=O)C3CCN(C(=O)NC(C)C)CC3)n2)cc1 ZINC000032933319 557318923 /nfs/dbraw/zinc/31/89/23/557318923.db2.gz WHPWQELJQCKOSA-UHFFFAOYSA-N 0 0 427.509 2.379 50 0 IEAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NC[C@H]3CCCO3)cc1)c2=O ZINC000032959284 557319093 /nfs/dbraw/zinc/31/90/93/557319093.db2.gz PXPFFAADQQSQTO-MRXNPFEDSA-N 0 0 439.493 2.370 50 0 IEAARN CCOC(=O)N1CCC(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)CC1 ZINC000033028318 557321611 /nfs/dbraw/zinc/32/16/11/557321611.db2.gz TUKUWLBOPCGPLX-UHFFFAOYSA-N 0 0 433.534 2.414 50 0 IEAARN Cn1c2c(nc1N1CCCCC1)n(C)c(=O)n(Cc1cccc(Br)c1)c2=O ZINC000000832612 557326351 /nfs/dbraw/zinc/32/63/51/557326351.db2.gz VIVQRWZJOFSTIS-UHFFFAOYSA-N 0 0 432.322 2.235 50 0 biogenic IEAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000014249708 557330149 /nfs/dbraw/zinc/33/01/49/557330149.db2.gz SLSIHKWNSIONRO-HXUWFJFHSA-N 0 0 428.489 2.308 50 0 IEAARN Cc1nn(Cc2nc3ccccc3c(=O)n2Cc2ccco2)c(C)c1S(=O)(=O)N(C)C ZINC000014253414 557330155 /nfs/dbraw/zinc/33/01/55/557330155.db2.gz WRBNSIGNZZFGHO-UHFFFAOYSA-N 0 0 441.513 2.150 50 0 IEAARN COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)s2)cc1 ZINC000033263487 557330141 /nfs/dbraw/zinc/33/01/41/557330141.db2.gz CCZFFLROEIBRDD-AWEZNQCLSA-N 0 0 443.529 2.274 50 0 IEAARN CCCS(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(OC)cc2)CC1 ZINC000033280765 557331526 /nfs/dbraw/zinc/33/15/26/557331526.db2.gz YRHUGZFNBXBWAA-UHFFFAOYSA-N 0 0 429.546 2.287 50 0 IEAARN CCOc1ccc(CN2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]43)CC2)cc1 ZINC000222047412 557332798 /nfs/dbraw/zinc/33/27/98/557332798.db2.gz SVEFMSXPECZKSZ-JAXLGGSGSA-N 0 0 446.617 2.455 50 0 IEAARN Cc1ccc(CNC(=O)Cn2nc3c4sc(N5CCCC5)nc4ncn3c2=O)cc1C ZINC000033309174 557333574 /nfs/dbraw/zinc/33/35/74/557333574.db2.gz POBOXKTWOAXGCX-UHFFFAOYSA-N 0 0 437.529 2.034 50 0 IEAARN COC(=O)CCCCC(=O)N1CCN(c2nc3nccc(-c4cccs4)n3n2)CC1 ZINC000023329827 557340077 /nfs/dbraw/zinc/34/00/77/557340077.db2.gz WBWWLMWBPDQDGZ-UHFFFAOYSA-N 0 0 428.518 2.235 50 0 IEAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)C(C)(C)C ZINC000023471590 557363534 /nfs/dbraw/zinc/36/35/34/557363534.db2.gz RFTURZOZNPLRTJ-YMTOWFKASA-N 0 0 426.318 2.180 50 0 IEAARN CC(C)CN(CC(C)C)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000023593356 557367439 /nfs/dbraw/zinc/36/74/39/557367439.db2.gz 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568831681 /nfs/dbraw/zinc/83/16/81/568831681.db2.gz NDLTXBNXURBISW-UHFFFAOYSA-N 0 0 447.538 2.031 50 0 IEAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000085654347 568833541 /nfs/dbraw/zinc/83/35/41/568833541.db2.gz KPZFQCCRZNFYQN-UHFFFAOYSA-N 0 0 428.489 2.191 50 0 IEAARN O=c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1-c1ccccc1 ZINC000085654339 568833553 /nfs/dbraw/zinc/83/35/53/568833553.db2.gz CPPYDSPYBSZTRS-UHFFFAOYSA-N 0 0 430.917 2.397 50 0 IEAARN COc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)C[C@H]2CCO)c(F)c1 ZINC000104482122 568837387 /nfs/dbraw/zinc/83/73/87/568837387.db2.gz PICQHRJXFPFRTM-LJQANCHMSA-N 0 0 425.508 2.484 50 0 IEAARN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1F ZINC000015823726 568840234 /nfs/dbraw/zinc/84/02/34/568840234.db2.gz HSHVQANLMRAQJI-UHFFFAOYSA-N 0 0 446.548 2.243 50 0 IEAARN CC(C)(C)OC(=O)C(=O)[C@]1(C(=O)OC(C)(C)C)OC(C)(C)O[C@@H]1C(=O)OC(C)(C)C ZINC000043199045 568842950 /nfs/dbraw/zinc/84/29/50/568842950.db2.gz RSZBMHUZFCYODP-ASSNKEHSSA-N 0 0 430.494 2.471 50 0 IEAARN C[C@@H](C(=O)NCCCN1CCOCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868576 568851934 /nfs/dbraw/zinc/85/19/34/568851934.db2.gz DLFZZCICQRUSDU-GOSISDBHSA-N 0 0 426.561 2.495 50 0 IEAARN COc1cccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000015883475 568857739 /nfs/dbraw/zinc/85/77/39/568857739.db2.gz DLORIUSMCGDKAQ-UHFFFAOYSA-N 0 0 428.514 2.495 50 0 IEAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccccc1 ZINC000015883690 568857777 /nfs/dbraw/zinc/85/77/77/568857777.db2.gz IKOUFARIVPUGPH-UHFFFAOYSA-N 0 0 426.542 2.239 50 0 IEAARN COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 ZINC000015884014 568858252 /nfs/dbraw/zinc/85/82/52/568858252.db2.gz XDSPVLBXFCNTQW-UHFFFAOYSA-N 0 0 447.474 2.250 50 0 IEAARN CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2)NC(=S)N1C ZINC000012893045 568858336 /nfs/dbraw/zinc/85/83/36/568858336.db2.gz ZWLBDSMSFMWCMC-NJNPRVFISA-N 0 0 428.510 2.307 50 0 IEAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)S1(=O)=O ZINC000575414118 568860795 /nfs/dbraw/zinc/86/07/95/568860795.db2.gz FOLPSXZPTHCVNI-UHFFFAOYSA-N 0 0 427.486 2.476 50 0 IEAARN COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000015967661 568861266 /nfs/dbraw/zinc/86/12/66/568861266.db2.gz SVLBGGTVMQBQQR-RTWAWAEBSA-N 0 0 427.570 2.264 50 0 IEAARN COC[C@H](C)N1C(=S)N[C@H](c2ccccc2F)[C@@H](C(=O)Nc2cc(C)on2)[C@@]1(C)O ZINC000012949165 568871836 /nfs/dbraw/zinc/87/18/36/568871836.db2.gz VETCPRBLAXYGAD-LKASSIKMSA-N 0 0 436.509 2.352 50 0 IEAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000006195377 568876880 /nfs/dbraw/zinc/87/68/80/568876880.db2.gz WNEQBMYNOUYMTB-UHFFFAOYSA-N 0 0 427.480 2.380 50 0 IEAARN CSCC[C@H](NC(C)=O)C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000575604981 568878059 /nfs/dbraw/zinc/87/80/59/568878059.db2.gz JRGBRTDKAZMNOJ-AWEZNQCLSA-N 0 0 433.500 2.147 50 0 IEAARN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575607715 568878206 /nfs/dbraw/zinc/87/82/06/568878206.db2.gz VVZUIALZTXIDGT-CQSZACIVSA-N 0 0 437.834 2.330 50 0 IEAARN CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1Br ZINC000040446862 568878894 /nfs/dbraw/zinc/87/88/94/568878894.db2.gz CYRWBNUZWJQTBN-UHFFFAOYSA-N 0 0 428.146 2.344 50 0 IEAARN CN1c2cc(F)c(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2N(C)S1(=O)=O ZINC000575610976 568878988 /nfs/dbraw/zinc/87/89/88/568878988.db2.gz CTESIHKQHUUJNH-ZDUSSCGKSA-N 0 0 428.486 2.295 50 0 IEAARN Cc1ccc(OCC(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(C(C)(C)C)c1 ZINC000575610318 568879103 /nfs/dbraw/zinc/87/91/03/568879103.db2.gz IZTKGSZAVVHYOJ-UHFFFAOYSA-N 0 0 435.532 2.391 50 0 IEAARN O=S(=O)(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000575612485 568879369 /nfs/dbraw/zinc/87/93/69/568879369.db2.gz MSBHGZXEEIMOSX-QFIPXVFZSA-N 0 0 427.526 2.465 50 0 IEAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)n2cccn2)cc1 ZINC000575612801 568879656 /nfs/dbraw/zinc/87/96/56/568879656.db2.gz CESCLHDAXNPFIA-QGZVFWFLSA-N 0 0 430.511 2.166 50 0 IEAARN O=C([C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000026538825 568880276 /nfs/dbraw/zinc/88/02/76/568880276.db2.gz RIQNUSFAPFQYBV-OAQYLSRUSA-N 0 0 435.524 2.151 50 0 IEAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000575615269 568881225 /nfs/dbraw/zinc/88/12/25/568881225.db2.gz GQOJBDNFFKPTEH-UHFFFAOYSA-N 0 0 438.775 2.351 50 0 IEAARN Cn1c(=O)n(C2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)nc1C(F)(F)F ZINC000575614706 568881122 /nfs/dbraw/zinc/88/11/22/568881122.db2.gz BUZRUTCHOARIIJ-UHFFFAOYSA-N 0 0 434.422 2.323 50 0 IEAARN Cn1c(=O)n(C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F ZINC000575614836 568881140 /nfs/dbraw/zinc/88/11/40/568881140.db2.gz KADYXXKKSQKUNA-ZDUSSCGKSA-N 0 0 447.458 2.164 50 0 IEAARN CC(=O)c1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 ZINC000575616029 568881330 /nfs/dbraw/zinc/88/13/30/568881330.db2.gz NRSGEDXEJOYGMK-UHFFFAOYSA-N 0 0 425.411 2.079 50 0 IEAARN O=C(NCc1cncc(-c2ccco2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000575618810 568882338 /nfs/dbraw/zinc/88/23/38/568882338.db2.gz PGLQNNIAJDDSJK-UHFFFAOYSA-N 0 0 427.482 2.293 50 0 IEAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)[nH]n2)c1 ZINC000575621180 568883219 /nfs/dbraw/zinc/88/32/19/568883219.db2.gz VSQTYHLIXCEUTJ-UHFFFAOYSA-N 0 0 434.500 2.335 50 0 IEAARN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000222124844 568884927 /nfs/dbraw/zinc/88/49/27/568884927.db2.gz NQKYDMRITRIIAV-FUDKSRODSA-N 0 0 439.556 2.275 50 0 IEAARN CN1[C@H](C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)C[C@@H](c2cccs2)NS1(=O)=O ZINC000225230130 568885157 /nfs/dbraw/zinc/88/51/57/568885157.db2.gz CYSDWHUFSBTSPQ-IRXDYDNUSA-N 0 0 449.533 2.350 50 0 IEAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NO[C@H]3CCCCO3)ccc2Cl)C[C@@H](C)O1 ZINC000229756473 568886792 /nfs/dbraw/zinc/88/67/92/568886792.db2.gz YSFUDNNBEJLFGG-XNJGSVPQSA-N 0 0 432.926 2.326 50 0 IEAARN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)C[C@@H](C)O1 ZINC000229832466 568886981 /nfs/dbraw/zinc/88/69/81/568886981.db2.gz LUFGJCYDKIZVBV-JPAWQOSXSA-N 0 0 432.565 2.159 50 0 IEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1 ZINC000090591864 568888442 /nfs/dbraw/zinc/88/84/42/568888442.db2.gz HSYLMNJVGMMVPD-QZTJIDSGSA-N 0 0 427.505 2.458 50 0 IEAARN COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1F ZINC000090590548 568888488 /nfs/dbraw/zinc/88/84/88/568888488.db2.gz HXQQGZPRSKLXLK-UHFFFAOYSA-N 0 0 439.447 2.102 50 0 IEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1 ZINC000090591868 568888491 /nfs/dbraw/zinc/88/84/91/568888491.db2.gz HSYLMNJVGMMVPD-ZWKOTPCHSA-N 0 0 427.505 2.458 50 0 IEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1 ZINC000090591872 568888492 /nfs/dbraw/zinc/88/84/92/568888492.db2.gz HSYLMNJVGMMVPD-ROUUACIJSA-N 0 0 427.505 2.458 50 0 IEAARN CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc2cc(-c3nc(C)no3)ccn2c1=O ZINC000090592183 568888769 /nfs/dbraw/zinc/88/87/69/568888769.db2.gz OVFWUYOCKXIKDO-QGZVFWFLSA-N 0 0 438.444 2.461 50 0 IEAARN Nn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccco1 ZINC000012974453 568889875 /nfs/dbraw/zinc/88/98/75/568889875.db2.gz SAGIRLUKFAJYAY-CQSZACIVSA-N 0 0 427.486 2.479 50 0 IEAARN C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012977564 568891329 /nfs/dbraw/zinc/89/13/29/568891329.db2.gz VHBTWLQMEIYDHA-OAHLLOKOSA-N 0 0 432.473 2.095 50 0 IEAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC(O)(c1cccs1)c1cccs1 ZINC000090617654 568892629 /nfs/dbraw/zinc/89/26/29/568892629.db2.gz ACCROKHHGGMBQL-UHFFFAOYSA-N 0 0 430.507 2.207 50 0 IEAARN Cn1c2ccc(S(=O)(=O)CC(=O)N3CCC(Cc4ccccc4)CC3)cc2n(C)c1=O ZINC000035531558 568893251 /nfs/dbraw/zinc/89/32/51/568893251.db2.gz RULQERKONZLSBL-UHFFFAOYSA-N 0 0 441.553 2.132 50 0 IEAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000012990230 568895272 /nfs/dbraw/zinc/89/52/72/568895272.db2.gz UJYZKLGWRKMYAH-UHFFFAOYSA-N 0 0 433.262 2.057 50 0 IEAARN C[C@]1(NC(=O)CSc2nnc(NCCc3cccs3)s2)CCS(=O)(=O)C1 ZINC000013004667 568898869 /nfs/dbraw/zinc/89/88/69/568898869.db2.gz FFJYRMHSDWBKPI-HNNXBMFYSA-N 0 0 432.618 2.040 50 0 IEAARN C[C@@]1(NC(=O)CSc2nnc(NCCc3cccs3)s2)CCS(=O)(=O)C1 ZINC000013004666 568898989 /nfs/dbraw/zinc/89/89/89/568898989.db2.gz FFJYRMHSDWBKPI-OAHLLOKOSA-N 0 0 432.618 2.040 50 0 IEAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCCCC(=O)Nc1ccncc1 ZINC000524729042 568903564 /nfs/dbraw/zinc/90/35/64/568903564.db2.gz AOAKRDANRPWBMJ-VNZMSGEBSA-N 0 0 436.512 2.229 50 0 biogenic IEAARN CC(=O)NCCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524729782 568903988 /nfs/dbraw/zinc/90/39/88/568903988.db2.gz JETDNWJUZKXQNM-OAHLLOKOSA-N 0 0 438.436 2.002 50 0 biogenic IEAARN Nc1ccc2c(c1)OCCOCCOc1cc(N)ccc1OCCOCCOCCO2 ZINC000006445399 568907237 /nfs/dbraw/zinc/90/72/37/568907237.db2.gz DCHGBGAZBICZRE-UHFFFAOYSA-N 0 0 434.489 2.130 50 0 IEAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000239386694 568911434 /nfs/dbraw/zinc/91/14/34/568911434.db2.gz QAKIHRLEDBPQTP-REWPJTCUSA-N 0 0 435.524 2.307 50 0 IEAARN CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C3CCCCC3)C2=O)[C@H]1C ZINC000245328190 568915092 /nfs/dbraw/zinc/91/50/92/568915092.db2.gz TWTCQJURLIHJPQ-QKFKETGDSA-N 0 0 437.500 2.067 50 0 IEAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1 ZINC000248193283 568919154 /nfs/dbraw/zinc/91/91/54/568919154.db2.gz MXXCXUVBINDWMZ-CEWLAPEOSA-N 0 0 440.606 2.063 50 0 IEAARN CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](c1ccco1)N(C)C)c1ccco1 ZINC000089312176 568920852 /nfs/dbraw/zinc/92/08/52/568920852.db2.gz HIEQUCNLCFMRND-QGFMHUBQSA-N 0 0 430.549 2.427 50 0 IEAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000089420166 568924496 /nfs/dbraw/zinc/92/44/96/568924496.db2.gz KOUIGIMBPIURKF-KDOFPFPSSA-N 0 0 433.892 2.110 50 0 IEAARN C[C@@H](C(=O)NCc1ccccc1F)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000089478916 568926602 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2.484 50 0 IEAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC[C@@H](C)C3)c2=O)cc1 ZINC000065212643 569116934 /nfs/dbraw/zinc/11/69/34/569116934.db2.gz FKKZRCRNVQKTGQ-OAHLLOKOSA-N 0 0 433.530 2.225 50 0 IEAARN COc1ccccc1N1CCN(C(=O)Cn2ccc3ccc(N4CCOCC4)nc32)CC1 ZINC000065212020 569117191 /nfs/dbraw/zinc/11/71/91/569117191.db2.gz WXGLSUXEEPPTAH-UHFFFAOYSA-N 0 0 435.528 2.230 50 0 IEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000007006673 569117686 /nfs/dbraw/zinc/11/76/86/569117686.db2.gz FDVNLHDQARMUHJ-MRXNPFEDSA-N 0 0 425.551 2.221 50 0 IEAARN COc1ccc([C@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1 ZINC000065226769 569117987 /nfs/dbraw/zinc/11/79/87/569117987.db2.gz XEXHFMWCOPLTBI-KRWDZBQOSA-N 0 0 425.533 2.416 50 0 IEAARN CN1CCN(c2ncncc2N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)CC1 ZINC000065226883 569118031 /nfs/dbraw/zinc/11/80/31/569118031.db2.gz GJPDOQARLUBFOD-UHFFFAOYSA-N 0 0 428.968 2.415 50 0 IEAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCO2 ZINC000036597257 569118707 /nfs/dbraw/zinc/11/87/07/569118707.db2.gz WSNDTLLQWUQFMU-CQSZACIVSA-N 0 0 425.397 2.188 50 0 IEAARN COc1ccccc1CC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1 ZINC000065232254 569118998 /nfs/dbraw/zinc/11/89/98/569118998.db2.gz XPFCDCBCVHLTGR-UHFFFAOYSA-N 0 0 427.501 2.413 50 0 IEAARN O=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCN(c2ccccn2)CC1 ZINC000065236965 569119589 /nfs/dbraw/zinc/11/95/89/569119589.db2.gz OYZRZBYGSCPQPO-UHFFFAOYSA-N 0 0 435.576 2.427 50 0 IEAARN O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1cc(F)ccc1F ZINC000065237473 569119764 /nfs/dbraw/zinc/11/97/64/569119764.db2.gz GJWUQUTYGZYFFJ-UHFFFAOYSA-N 0 0 425.457 2.330 50 0 IEAARN C=C1C(N2CCC(NC(=O)[C@H]3CCOC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239095 569119942 /nfs/dbraw/zinc/11/99/42/569119942.db2.gz VBNWIUAAISEPFQ-HNNXBMFYSA-N 0 0 437.949 2.430 50 0 IEAARN C=C1C(N2CCC(NC(=O)c3ccc(OC)nc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239138 569120043 /nfs/dbraw/zinc/12/00/43/569120043.db2.gz 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CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cn(C)nc1C)[C@H](C1CC1)C[C@@H]2C(F)F ZINC000036615313 569122381 /nfs/dbraw/zinc/12/23/81/569122381.db2.gz AAGIFJGDEYCMRN-UONOGXRCSA-N 0 0 443.476 2.286 50 0 IEAARN CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cn(C)nc1C)[C@@H](C1CC1)C[C@@H]2C(F)F ZINC000036615314 569122393 /nfs/dbraw/zinc/12/23/93/569122393.db2.gz AAGIFJGDEYCMRN-ZIAGYGMSSA-N 0 0 443.476 2.286 50 0 IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NCc4ccco4)c3)nc2)C1 ZINC000065254339 569122531 /nfs/dbraw/zinc/12/25/31/569122531.db2.gz CNOMYTWMJGIJBZ-OAHLLOKOSA-N 0 0 429.502 2.211 50 0 IEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NCc4ccncc4)c3)nc2)C1 ZINC000065254343 569122559 /nfs/dbraw/zinc/12/25/59/569122559.db2.gz OPNMNNGESKXYTE-MRXNPFEDSA-N 0 0 440.529 2.013 50 0 IEAARN CCOc1cccc(CNC(=O)c2nc(C)n(C3CCN(S(C)(=O)=O)CC3)c2C)c1 ZINC000065257417 569123556 /nfs/dbraw/zinc/12/35/56/569123556.db2.gz DTILLVFTBMYOQO-UHFFFAOYSA-N 0 0 434.562 2.425 50 0 IEAARN CCn1c(SCC(=O)O[C@H](C(=O)NC(=O)NC)c2ccccc2)nnc1-c1ccco1 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/nfs/dbraw/zinc/12/93/29/569129329.db2.gz AUWQGLROLWERFB-HNNXBMFYSA-N 0 0 442.541 2.326 50 0 IEAARN CC(C)Cn1c2cnccc2nc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1=O ZINC000065292862 569130864 /nfs/dbraw/zinc/13/08/64/569130864.db2.gz IARLEVOKFQDSHT-UHFFFAOYSA-N 0 0 433.559 2.020 50 0 IEAARN CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(c4ccccc4C)CC3)CC2)n1 ZINC000065307671 569132550 /nfs/dbraw/zinc/13/25/50/569132550.db2.gz MIZLUFBMNNCSDC-UHFFFAOYSA-N 0 0 428.562 2.370 50 0 IEAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCC[C@@H](C)C4)ccn3c2=O)cc1Cl ZINC000065308005 569132709 /nfs/dbraw/zinc/13/27/09/569132709.db2.gz CBHUECGJZLYRBZ-CYBMUJFWSA-N 0 0 430.896 2.428 50 0 IEAARN CC(C)NC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(N3CCOCC3)nc2c1=O ZINC000036685840 569132823 /nfs/dbraw/zinc/13/28/23/569132823.db2.gz NBWHZPBTDQVWTD-UHFFFAOYSA-N 0 0 431.493 2.020 50 0 IEAARN COc1cccc(CN2CCCN(CC(=O)Nc3ccc(F)cc3F)S2(=O)=O)c1 ZINC000065302100 569132837 /nfs/dbraw/zinc/13/28/37/569132837.db2.gz YEDHQRRMZMJUCU-UHFFFAOYSA-N 0 0 425.457 2.365 50 0 IEAARN COc1cc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)cc(OC)c1 ZINC000065302118 569132841 /nfs/dbraw/zinc/13/28/41/569132841.db2.gz CFINNWLXOAZQGT-UHFFFAOYSA-N 0 0 437.493 2.234 50 0 IEAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)NCc1ccccn1 ZINC000065305104 569132942 /nfs/dbraw/zinc/13/29/42/569132942.db2.gz GPJRYZLJCMGRTH-UHFFFAOYSA-N 0 0 427.486 2.155 50 0 IEAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2cccs2)c1=O)NC1CCCCC1 ZINC000065305376 569133134 /nfs/dbraw/zinc/13/31/34/569133134.db2.gz NCYJGHDPLOAPKB-UHFFFAOYSA-N 0 0 443.554 2.431 50 0 IEAARN CCCCn1c2nn(CC(=O)Nc3ccccc3OC)c(=O)n2c2ccsc2c1=O ZINC000065305306 569133187 /nfs/dbraw/zinc/13/31/87/569133187.db2.gz JFOFSUJOACPQDP-UHFFFAOYSA-N 0 0 427.486 2.320 50 0 IEAARN O=C(NCc1ccccc1)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1 ZINC000065306515 569133355 /nfs/dbraw/zinc/13/33/55/569133355.db2.gz IHUOPYCIQQQPCD-UHFFFAOYSA-N 0 0 428.492 2.383 50 0 IEAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NC[C@@H]4CCCO4)n3)cc2)CC1 ZINC000065319197 569134828 /nfs/dbraw/zinc/13/48/28/569134828.db2.gz GOPXXCXQYDUVIL-INIZCTEOSA-N 0 0 434.518 2.066 50 0 IEAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCCc2ccccn2)CC3)CC1 ZINC000065313383 569135212 /nfs/dbraw/zinc/13/52/12/569135212.db2.gz NFLBRIBQDJBMKI-INIZCTEOSA-N 0 0 427.574 2.061 50 0 IEAARN Cc1nn(C)cc1CN(C)C(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314110 569135487 /nfs/dbraw/zinc/13/54/87/569135487.db2.gz VSEZKDDQUKWXMF-FQEVSTJZSA-N 0 0 434.544 2.209 50 0 IEAARN O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000238816733 569136504 /nfs/dbraw/zinc/13/65/04/569136504.db2.gz BQGBKMMMUOBQAG-JOCHJYFZSA-N 0 0 439.493 2.459 50 0 IEAARN CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3C4(C)C)[C@@H]2C1=O ZINC000238901717 569137923 /nfs/dbraw/zinc/13/79/23/569137923.db2.gz MFASYSIHSLHQSR-ZDDTUDGMSA-N 0 0 436.555 2.009 50 0 IEAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)c1 ZINC000239578951 569139648 /nfs/dbraw/zinc/13/96/48/569139648.db2.gz 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O=C(CNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000027572533 569273694 /nfs/dbraw/zinc/27/36/94/569273694.db2.gz LUSHXZKYKVYKQI-OAHLLOKOSA-N 0 0 430.455 2.370 50 0 IEAARN O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000057270865 569284360 /nfs/dbraw/zinc/28/43/60/569284360.db2.gz PAHSSVCQNFZESC-MDZDMXLPSA-N 0 0 448.502 2.262 50 0 IEAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccccc1-n1cnnn1 ZINC000009416275 569296110 /nfs/dbraw/zinc/29/61/10/569296110.db2.gz KMSBTDRMGMMUTH-BOPFTXTBSA-N 0 0 438.444 2.268 50 0 IEAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(F)c1 ZINC000067316718 569301604 /nfs/dbraw/zinc/30/16/04/569301604.db2.gz WEMIHHZPAGTQIW-UHFFFAOYSA-N 0 0 439.443 2.318 50 0 IEAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2cccc(OC)c2)c3=O)cc1 ZINC000002449711 569304814 /nfs/dbraw/zinc/30/48/14/569304814.db2.gz OHAFIFWKTIFMEB-ZHZULCJRSA-N 0 0 435.505 2.447 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C)Cc1cccc(F)c1 ZINC000013072786 569309073 /nfs/dbraw/zinc/30/90/73/569309073.db2.gz SXIDSZGLTITXGH-UHFFFAOYSA-N 0 0 435.521 2.226 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(F)c(F)c3F)CC2)cc1 ZINC000013097879 569309808 /nfs/dbraw/zinc/30/98/08/569309808.db2.gz GZJGAFQDRZHWPL-UHFFFAOYSA-N 0 0 432.395 2.398 50 0 IEAARN NS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000013097952 569309828 /nfs/dbraw/zinc/30/98/28/569309828.db2.gz DFTSANOARDMYFG-UHFFFAOYSA-N 0 0 437.543 2.151 50 0 IEAARN NS(=O)(=O)c1ccc(CCn2c(=O)c3ccccc3nc2SCc2cc[nH]n2)cc1 ZINC000328593161 569317322 /nfs/dbraw/zinc/31/73/22/569317322.db2.gz LXPMPLZPMGWRGS-UHFFFAOYSA-N 0 0 441.538 2.302 50 0 IEAARN COc1cc2nc(CN3CCOCC3)n(Cc3cccnc3Cl)c(=O)c2cc1OC ZINC000078737040 569318712 /nfs/dbraw/zinc/31/87/12/569318712.db2.gz RHEXXKJREDOBSH-UHFFFAOYSA-N 0 0 430.892 2.343 50 0 IEAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000078752126 569318877 /nfs/dbraw/zinc/31/88/77/569318877.db2.gz FQMYSZIEQBEXJR-RXVVDRJESA-N 0 0 446.567 2.125 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ZINC000079074139 569324760 /nfs/dbraw/zinc/32/47/60/569324760.db2.gz NNWALNKDNLRJEI-MSOLQXFVSA-N 0 0 430.549 2.245 50 0 IEAARN CC(C)(NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1noc(C(N)=O)n1 ZINC000079109677 569326049 /nfs/dbraw/zinc/32/60/49/569326049.db2.gz OPNWBZWPGZTTCZ-UHFFFAOYSA-N 0 0 434.456 2.149 50 0 IEAARN COC(=O)COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)ccc1OC ZINC000079191441 569328146 /nfs/dbraw/zinc/32/81/46/569328146.db2.gz JEBTWFNKPFFSSA-RXVVDRJESA-N 0 0 440.404 2.419 50 0 biogenic IEAARN COc1cc(NC(=O)CN2c3ccccc3C(=O)N[C@@H](C(C)C)C2=O)cc(OC)c1OC ZINC000079194252 569328230 /nfs/dbraw/zinc/32/82/30/569328230.db2.gz KYQSHYMQDINVPO-FQEVSTJZSA-N 0 0 441.484 2.452 50 0 biogenic IEAARN COc1ccc2cc(CC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c(=O)[nH]c2c1 ZINC000019769980 569329230 /nfs/dbraw/zinc/32/92/30/569329230.db2.gz VRIPESRJBVKMFY-UHFFFAOYSA-N 0 0 427.482 2.258 50 0 IEAARN O=S(=O)(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000019819972 569330070 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ZINC000020280553 569358729 /nfs/dbraw/zinc/35/87/29/569358729.db2.gz QCVMMKWYZFJPHP-LBPRGKRZSA-N 0 0 435.531 2.458 50 0 IEAARN CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000020287946 569359256 /nfs/dbraw/zinc/35/92/56/569359256.db2.gz XQZOPPAVPCKYKH-DYESRHJHSA-N 0 0 444.601 2.256 50 0 IEAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(C)cc1 ZINC000020330938 569361009 /nfs/dbraw/zinc/36/10/09/569361009.db2.gz ORBOXOJIFIMIHS-INIZCTEOSA-N 0 0 449.554 2.479 50 0 IEAARN O=C(NC[C@H](O)c1ccccc1)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000095346314 569361448 /nfs/dbraw/zinc/36/14/48/569361448.db2.gz AIPIRRGZHHQOHJ-FCHUYYIVSA-N 0 0 429.476 2.241 50 0 IEAARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000095350629 569361918 /nfs/dbraw/zinc/36/19/18/569361918.db2.gz PGSAADJPEDFCDA-VWLOTQADSA-N 0 0 448.523 2.274 50 0 IEAARN CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2N2CCN(c3cccc(C)c3)[C@@H](C)C2)C1 ZINC000020377889 569362312 /nfs/dbraw/zinc/36/23/12/569362312.db2.gz VRIPOINWQOSWLJ-ROUUACIJSA-N 0 0 425.529 2.086 50 0 IEAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000080337581 569362360 /nfs/dbraw/zinc/36/23/60/569362360.db2.gz JVVMZUCLBOKXHC-SNVBAGLBSA-N 0 0 445.833 2.336 50 0 IEAARN Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)cc2s1 ZINC000020436610 569365481 /nfs/dbraw/zinc/36/54/81/569365481.db2.gz JESSSQLZWMMWPE-UHFFFAOYSA-N 0 0 444.582 2.227 50 0 IEAARN CC(C)(C)S(=O)(=O)CCNC(=O)c1ccnc(Cl)c1I ZINC000095449674 569367609 /nfs/dbraw/zinc/36/76/09/569367609.db2.gz DRPKUPJNJUBHLP-UHFFFAOYSA-N 0 0 430.695 2.283 50 0 IEAARN CC(C)S(=O)(=O)c1ccccc1C(=O)NCCOc1cccc(NS(C)(=O)=O)c1 ZINC000095453597 569368253 /nfs/dbraw/zinc/36/82/53/569368253.db2.gz DNPBIPSLQBSAKX-UHFFFAOYSA-N 0 0 440.543 2.049 50 0 IEAARN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095454686 569368347 /nfs/dbraw/zinc/36/83/47/569368347.db2.gz GARSLQOSCNWUNS-FQEVSTJZSA-N 0 0 445.571 2.011 50 0 IEAARN NS(=O)(=O)C[C@H]1CCCN1c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000095460537 569369608 /nfs/dbraw/zinc/36/96/08/569369608.db2.gz HEDNVAKLDRDINM-GFCCVEGCSA-N 0 0 430.559 2.284 50 0 IEAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(O)(CN2CCOCC2)CC1 ZINC000095462062 569370028 /nfs/dbraw/zinc/37/00/28/569370028.db2.gz TTXWTNZONYYORK-UHFFFAOYSA-N 0 0 442.887 2.207 50 0 IEAARN COC(=O)[C@](C)(c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000095462365 569370184 /nfs/dbraw/zinc/37/01/84/569370184.db2.gz IUJRZDGZNVBRJH-HJPURHCSSA-N 0 0 425.485 2.298 50 0 IEAARN COC(=O)[C@@](C)(c1ccccn1)N(C)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000095462366 569370207 /nfs/dbraw/zinc/37/02/07/569370207.db2.gz IUJRZDGZNVBRJH-WAIKUNEKSA-N 0 0 425.485 2.298 50 0 IEAARN CN1C[C@@H](NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)C(=O)N1 ZINC000095464860 569370526 /nfs/dbraw/zinc/37/05/26/569370526.db2.gz ISXKLTCPOSCXLJ-OAQYLSRUSA-N 0 0 444.470 2.361 50 0 IEAARN Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 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CC[C@]1(c2ccc(NC(=O)C(C)(C)CN3CCn4ccnc4C3)cc2)CCC(=O)NC1=O ZINC000095992994 569378352 /nfs/dbraw/zinc/37/83/52/569378352.db2.gz NXIMXACYUIIHKY-XMMPIXPASA-N 0 0 437.544 2.448 50 0 IEAARN O=C([N-]C1(C(=O)NCCCn2cccn2)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000095997668 569379031 /nfs/dbraw/zinc/37/90/31/569379031.db2.gz MFPIRXZMKUXWFN-UHFFFAOYSA-N 0 0 437.466 2.103 50 0 IEAARN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000096003387 569379142 /nfs/dbraw/zinc/37/91/42/569379142.db2.gz BFXLAVNAWYBKNJ-FZKQIMNGSA-N 0 0 436.350 2.331 50 0 IEAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)no1 ZINC000096010163 569379572 /nfs/dbraw/zinc/37/95/72/569379572.db2.gz BQLPIYDNWGGSFG-YVEFUNNKSA-N 0 0 436.921 2.396 50 0 IEAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)no1 ZINC000096010162 569379573 /nfs/dbraw/zinc/37/95/73/569379573.db2.gz BQLPIYDNWGGSFG-SJKOYZFVSA-N 0 0 436.921 2.396 50 0 IEAARN CC1([C@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)OCCO1 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569394149 /nfs/dbraw/zinc/39/41/49/569394149.db2.gz PIPKFIWUIWOCTM-UHFFFAOYSA-N 0 0 443.305 2.445 50 0 IEAARN CN(C)C(=O)c1csc(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)c1 ZINC000096321882 569394310 /nfs/dbraw/zinc/39/43/10/569394310.db2.gz OGFCDFYDRMYOEM-UHFFFAOYSA-N 0 0 441.600 2.229 50 0 IEAARN O=C(Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O)NCCc1ccccc1 ZINC000096322513 569394720 /nfs/dbraw/zinc/39/47/20/569394720.db2.gz OJJYWUZDXUCJRA-UHFFFAOYSA-N 0 0 430.443 2.309 50 0 IEAARN CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000096323432 569395202 /nfs/dbraw/zinc/39/52/02/569395202.db2.gz SECNYQKMNHOCNJ-UHFFFAOYSA-N 0 0 447.561 2.186 50 0 IEAARN COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)CC1 ZINC000096345421 569397150 /nfs/dbraw/zinc/39/71/50/569397150.db2.gz WGMLIESLINJYTM-HNNXBMFYSA-N 0 0 437.475 2.412 50 0 IEAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000096371214 569397848 /nfs/dbraw/zinc/39/78/48/569397848.db2.gz 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CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000096405028 569400645 /nfs/dbraw/zinc/40/06/45/569400645.db2.gz CEIXZBRNSKTRGL-NFEOESJKSA-N 0 0 448.497 2.325 50 0 IEAARN Cc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000055387481 569404142 /nfs/dbraw/zinc/40/41/42/569404142.db2.gz BDFSGXRINWTNIS-RBUKOAKNSA-N 0 0 428.510 2.047 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCC2=CCCCC2)cc1 ZINC000055408411 569404711 /nfs/dbraw/zinc/40/47/11/569404711.db2.gz ONMKRLMRDYLQCH-PMACEKPBSA-N 0 0 440.587 2.064 50 0 IEAARN COc1ccc(N2C(=O)CN(CCc3cccs3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000055408650 569404751 /nfs/dbraw/zinc/40/47/51/569404751.db2.gz CDEHTROZQHCAPW-DLBZAZTESA-N 0 0 440.974 2.467 50 0 IEAARN O=C(NCC[C@@H](O)c1cccc(Cl)c1)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000225613135 569405848 /nfs/dbraw/zinc/40/58/48/569405848.db2.gz FNYRYGKOCGBLBZ-GOSISDBHSA-N 0 0 427.888 2.354 50 0 IEAARN O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 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COc1cc2ncn(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2cc1OC ZINC000020730045 523069092 /nfs/dbraw/zinc/06/90/92/523069092.db2.gz HCGHWYXXSLSDTJ-RMKNXTFCSA-N 0 0 448.523 2.271 50 0 IEAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012794859 523086056 /nfs/dbraw/zinc/08/60/56/523086056.db2.gz YVYJOLODKAXTKI-SJLPKXTDSA-N 0 0 434.489 2.277 50 0 IEAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1=O ZINC000012787806 523105625 /nfs/dbraw/zinc/10/56/25/523105625.db2.gz VPEBMVHADAWZMS-GOSISDBHSA-N 0 0 435.480 2.318 50 0 IEAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1Cl)C(=O)OC ZINC000020715947 523118713 /nfs/dbraw/zinc/11/87/13/523118713.db2.gz XZFWKSYXCBREDM-YJBOKZPZSA-N 0 0 434.880 2.215 50 0 IEAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(OC)c4)CC3)n2)cc1 ZINC000044891981 523127806 /nfs/dbraw/zinc/12/78/06/523127806.db2.gz NZLVSLJMJSNHCF-UHFFFAOYSA-N 0 0 434.496 2.276 50 0 IEAARN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000021033279 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2.256 50 0 IEAARN COc1ccc(-n2c3ncccc3c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c2=O)cc1 ZINC000021723088 523324795 /nfs/dbraw/zinc/32/47/95/523324795.db2.gz SSERZXRDVNCPLU-INIZCTEOSA-N 0 0 430.464 2.433 50 0 IEAARN CN(Cc1ccco1)C(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(C)C2=O ZINC000021875160 523432735 /nfs/dbraw/zinc/43/27/35/523432735.db2.gz LIOJTOWVLAUWFD-QFIPXVFZSA-N 0 0 427.505 2.042 50 0 IEAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1ccc(C)cc1 ZINC000021713724 523487127 /nfs/dbraw/zinc/48/71/27/523487127.db2.gz GYLNMXVJBFPPIQ-UHFFFAOYSA-N 0 0 431.496 2.053 50 0 IEAARN CO[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)C1 ZINC000012243280 523586897 /nfs/dbraw/zinc/58/68/97/523586897.db2.gz ODRWPYRHMIIYGA-PXDATVDWSA-N 0 0 435.524 2.349 50 0 IEAARN CC[C@]1(C)NC(=O)N(NC(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)C1=O ZINC000012766254 523604273 /nfs/dbraw/zinc/60/42/73/523604273.db2.gz YKKWGJKEKRJMCR-NRFANRHFSA-N 0 0 439.497 2.185 50 0 IEAARN CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccccc3OC)c(C)cc2NC1=O ZINC000035453138 523605542 /nfs/dbraw/zinc/60/55/42/523605542.db2.gz MGZDNSZJLGQCSB-INIZCTEOSA-N 0 0 447.513 2.372 50 0 IEAARN CCc1[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c(C)c1C(=O)OC ZINC000021006368 523661818 /nfs/dbraw/zinc/66/18/18/523661818.db2.gz WIIOTIWTFLNICF-UHFFFAOYSA-N 0 0 435.502 2.415 50 0 IEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N1CCCC[C@@H]1C ZINC000035374138 523670591 /nfs/dbraw/zinc/67/05/91/523670591.db2.gz YHXKZDUICXZHDO-HNNXBMFYSA-N 0 0 441.507 2.276 50 0 IEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccc(F)cc1F ZINC000035374248 523670793 /nfs/dbraw/zinc/67/07/93/523670793.db2.gz LBRAIYCHHQSCFK-UHFFFAOYSA-N 0 0 443.410 2.246 50 0 IEAARN COCCN(CCC(=O)NC[C@@H]1CCCO1)C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000035992948 523691934 /nfs/dbraw/zinc/69/19/34/523691934.db2.gz RDBWYJMSBIJEGH-SFHVURJKSA-N 0 0 431.489 2.124 50 0 IEAARN CN1C(=O)c2cc(C(=O)NCc3ccc(F)cc3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021874874 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/nfs/dbraw/zinc/18/52/54/556185254.db2.gz VNBOWPGVLPBERX-QJKHOBJASA-N 0 0 442.928 2.185 50 0 IEAARN CC(C)C(=O)N[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl ZINC000008690338 556200231 /nfs/dbraw/zinc/20/02/31/556200231.db2.gz BYTWVXQLUDANSC-LLVKDONJSA-N 0 0 447.797 2.089 50 0 IEAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1 ZINC000010603070 556204052 /nfs/dbraw/zinc/20/40/52/556204052.db2.gz NLDJXMRRCDTHTK-HOTGVXAUSA-N 0 0 434.514 2.419 50 0 IEAARN O=C(COc1ccc(N2CCCC2=O)cc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008745490 556209010 /nfs/dbraw/zinc/20/90/10/556209010.db2.gz IKPKRDCPIPSHBG-HXUWFJFHSA-N 0 0 442.537 2.408 50 0 IEAARN O=C(COc1ccc(N2CCCC2=O)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008745491 556209086 /nfs/dbraw/zinc/20/90/86/556209086.db2.gz IKPKRDCPIPSHBG-FQEVSTJZSA-N 0 0 442.537 2.408 50 0 IEAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 ZINC000008792466 556216468 /nfs/dbraw/zinc/21/64/68/556216468.db2.gz 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Cc1noc(C)c1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1Cc2ccccc2C1 ZINC000013690050 556279352 /nfs/dbraw/zinc/27/93/52/556279352.db2.gz IEKCNNMYQFJYNQ-UHFFFAOYSA-N 0 0 432.480 2.444 50 0 IEAARN O=C(NCCCN1CCOCC1)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000013692631 556282277 /nfs/dbraw/zinc/28/22/77/556282277.db2.gz FGTDYQSFWWLVOB-QFIPXVFZSA-N 0 0 448.523 2.032 50 0 IEAARN COc1ccc(-c2cc(NC(=O)c3snnc3C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013692773 556282299 /nfs/dbraw/zinc/28/22/99/556282299.db2.gz XFTPLWBCUOAABM-CYBMUJFWSA-N 0 0 433.515 2.331 50 0 IEAARN O=C(CCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Br)cc1 ZINC000032731561 556283931 /nfs/dbraw/zinc/28/39/31/556283931.db2.gz JKBHWAPXUBPUIF-UHFFFAOYSA-N 0 0 436.350 2.179 50 0 IEAARN COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1=O ZINC000009426561 556290606 /nfs/dbraw/zinc/29/06/06/556290606.db2.gz ASWAUTKFGGEBME-SJORKVTESA-N 0 0 437.562 2.073 50 0 IEAARN Cc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)NCCc1cccs1 ZINC000013724514 556292093 /nfs/dbraw/zinc/29/20/93/556292093.db2.gz LJBDQBKMUPBDEB-UHFFFAOYSA-N 0 0 442.584 2.280 50 0 IEAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000013724717 556292196 /nfs/dbraw/zinc/29/21/96/556292196.db2.gz FPPTVXVKWFOIAU-SFHVURJKSA-N 0 0 433.464 2.400 50 0 IEAARN CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCC3)cc2OCc2ccccc2)C1=O ZINC000013727297 556293723 /nfs/dbraw/zinc/29/37/23/556293723.db2.gz JAKYKNYLMMNCLC-UHFFFAOYSA-N 0 0 429.498 2.449 50 0 IEAARN Cc1cc(NC(=O)COc2ccc(OC(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000013731656 556296087 /nfs/dbraw/zinc/29/60/87/556296087.db2.gz AUKRFYGRRFDRFX-LBPRGKRZSA-N 0 0 433.408 2.467 50 0 IEAARN Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)no1 ZINC000009525935 556296710 /nfs/dbraw/zinc/29/67/10/556296710.db2.gz FDFKDMASUQGTMU-OAHLLOKOSA-N 0 0 429.429 2.083 50 0 IEAARN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 ZINC000009525912 556296719 /nfs/dbraw/zinc/29/67/19/556296719.db2.gz PHHGUNJRKKFGKK-HNNXBMFYSA-N 0 0 429.860 2.324 50 0 IEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000032743666 556304026 /nfs/dbraw/zinc/30/40/26/556304026.db2.gz JFWAZWLNSGRAEI-UHFFFAOYSA-N 0 0 436.559 2.482 50 0 IEAARN C[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009668842 556305564 /nfs/dbraw/zinc/30/55/64/556305564.db2.gz MOMKHCULEVSQCE-LLVKDONJSA-N 0 0 442.526 2.283 50 0 IEAARN C[C@H]1C[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C(=O)O1 ZINC000032736377 556306264 /nfs/dbraw/zinc/30/62/64/556306264.db2.gz MKWQZKTYUSNPTJ-OXJNMPFZSA-N 0 0 444.509 2.058 50 0 IEAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000013786010 556308918 /nfs/dbraw/zinc/30/89/18/556308918.db2.gz PHQLDKGCUKOPED-UHFFFAOYSA-N 0 0 442.447 2.473 50 0 IEAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCN(C(=O)OCC)CC1 ZINC000013810598 556311861 /nfs/dbraw/zinc/31/18/61/556311861.db2.gz PIECWKFDOXELRN-AWEZNQCLSA-N 0 0 446.504 2.454 50 0 IEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)Nc2ccccn2)C1 ZINC000009830884 556311963 /nfs/dbraw/zinc/31/19/63/556311963.db2.gz VFSGNVLOUQZMAY-HUUCEWRRSA-N 0 0 444.513 2.295 50 0 IEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(-c3ccco3)on2)cc1 ZINC000032747251 556315702 /nfs/dbraw/zinc/31/57/02/556315702.db2.gz OVSGCWZIXOYEED-GFCCVEGCSA-N 0 0 433.442 2.303 50 0 IEAARN O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000009906778 556315886 /nfs/dbraw/zinc/31/58/86/556315886.db2.gz HNADUVBNUWVUMI-INIZCTEOSA-N 0 0 436.493 2.479 50 0 IEAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000032759362 556319085 /nfs/dbraw/zinc/31/90/85/556319085.db2.gz UATVEDXMIBGYGV-HUUCEWRRSA-N 0 0 431.961 2.290 50 0 IEAARN CCCCC(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)(C(=O)OCC)C(=O)OCC ZINC000010013024 556322521 /nfs/dbraw/zinc/32/25/21/556322521.db2.gz HOSIKEYGVDEBBU-UHFFFAOYSA-N 0 0 442.534 2.356 50 0 IEAARN COC(=O)c1ccc([C@H]2c3c(-c4cccc(OC)c4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010296967 556330125 /nfs/dbraw/zinc/33/01/25/556330125.db2.gz OFXQHHVSOKWWSL-SFHVURJKSA-N 0 0 431.412 2.326 50 0 IEAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000032764979 556332630 /nfs/dbraw/zinc/33/26/30/556332630.db2.gz JBNQTDLJSFCIQJ-UHFFFAOYSA-N 0 0 435.933 2.494 50 0 IEAARN CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000010381781 556333944 /nfs/dbraw/zinc/33/39/44/556333944.db2.gz XZALDJPQPJVKMQ-UHFFFAOYSA-N 0 0 443.953 2.429 50 0 IEAARN CCCN(CC1CC1)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000032770743 556334789 /nfs/dbraw/zinc/33/47/89/556334789.db2.gz LDZWXTVVVRJAND-UHFFFAOYSA-N 0 0 429.608 2.318 50 0 IEAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)no1 ZINC000032776096 556336944 /nfs/dbraw/zinc/33/69/44/556336944.db2.gz ADZQNIFFIIMKEJ-SNVBAGLBSA-N 0 0 435.380 2.008 50 0 IEAARN O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000011661538 556343061 /nfs/dbraw/zinc/34/30/61/556343061.db2.gz GRYITWFBBIITRR-FRHHVXPKSA-N 0 0 446.595 2.277 50 0 IEAARN Cc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)Nc1ccccc1F ZINC000032780865 556345965 /nfs/dbraw/zinc/34/59/65/556345965.db2.gz STKBDKJMUWGMIB-ZDUSSCGKSA-N 0 0 426.491 2.308 50 0 IEAARN CN(CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000032788371 556350684 /nfs/dbraw/zinc/35/06/84/556350684.db2.gz LAISJMZBCGDMFU-UHFFFAOYSA-N 0 0 435.571 2.311 50 0 IEAARN Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)C[C@@H]2C[C@@H](C)NC(=S)N2)C3)n1 ZINC000011783198 556351817 /nfs/dbraw/zinc/35/18/17/556351817.db2.gz LKWMYSFQRKWQKW-HYVNUMGLSA-N 0 0 425.558 2.195 50 0 IEAARN Cc1cc(N2C[C@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)ccc1Br ZINC000032796033 556352801 /nfs/dbraw/zinc/35/28/01/556352801.db2.gz JRFMDWVUTXHDHE-CYBMUJFWSA-N 0 0 434.290 2.250 50 0 IEAARN CCCCc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000032795527 556357846 /nfs/dbraw/zinc/35/78/46/556357846.db2.gz SHBOPNLEPAPQMH-SFHVURJKSA-N 0 0 429.542 2.346 50 0 IEAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000014067880 556359720 /nfs/dbraw/zinc/35/97/20/556359720.db2.gz HNPJNNMFLZFPTE-LJQANCHMSA-N 0 0 448.479 2.408 50 0 IEAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 ZINC000014068743 556359913 /nfs/dbraw/zinc/35/99/13/556359913.db2.gz VZDLJUZJGXLMAF-HNNXBMFYSA-N 0 0 430.468 2.260 50 0 IEAARN CCc1nnc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)s1 ZINC000014076572 556362152 /nfs/dbraw/zinc/36/21/52/556362152.db2.gz YSCWGOZWQXUNSC-UHFFFAOYSA-N 0 0 426.428 2.412 50 0 IEAARN Cc1cccc(NC(=O)CN2CCN(C(=O)NC3CCN(C(=O)C(C)C)CC3)CC2)c1C ZINC000032803316 556365428 /nfs/dbraw/zinc/36/54/28/556365428.db2.gz OQCZMWDTOITKQV-UHFFFAOYSA-N 0 0 443.592 2.216 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(-c2ccco2)s1 ZINC000014094345 556366588 /nfs/dbraw/zinc/36/65/88/556366588.db2.gz WHQOOIJXGAXANK-UHFFFAOYSA-N 0 0 434.499 2.380 50 0 IEAARN O=C(CCCSc1nc2ccccc2s1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014116387 556370852 /nfs/dbraw/zinc/37/08/52/556370852.db2.gz JNENYSXVLAAKBO-OAHLLOKOSA-N 0 0 439.628 2.500 50 0 IEAARN O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000014120478 556371822 /nfs/dbraw/zinc/37/18/22/556371822.db2.gz HNIUTIRRAVEFAC-UHFFFAOYSA-N 0 0 443.294 2.441 50 0 IEAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000014123364 556372622 /nfs/dbraw/zinc/37/26/22/556372622.db2.gz PFXQDORPNUITKM-UHFFFAOYSA-N 0 0 429.498 2.087 50 0 IEAARN O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014125042 556373167 /nfs/dbraw/zinc/37/31/67/556373167.db2.gz VZLTXNFPVQFYIK-UHFFFAOYSA-N 0 0 428.919 2.319 50 0 IEAARN Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000014134857 556374835 /nfs/dbraw/zinc/37/48/35/556374835.db2.gz QYLNSSDAUZMZFM-UHFFFAOYSA-N 0 0 431.301 2.365 50 0 IEAARN CCN(Cc1cc(=O)n2cc(C)ccc2n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000014140664 556376567 /nfs/dbraw/zinc/37/65/67/556376567.db2.gz AVQNDPPYGIPBBU-UHFFFAOYSA-N 0 0 435.484 2.279 50 0 IEAARN O=C(CN1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1)N1CCOCC1 ZINC000014141457 556376750 /nfs/dbraw/zinc/37/67/50/556376750.db2.gz LAEBMYKLDGCKCC-UHFFFAOYSA-N 0 0 434.496 2.111 50 0 IEAARN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000014141785 556376822 /nfs/dbraw/zinc/37/68/22/556376822.db2.gz KHEIZXCEZZGDFU-NRFANRHFSA-N 0 0 443.569 2.102 50 0 IEAARN O=C(CN1CCN(C(=O)CN[C@H](c2cccs2)c2ccc(F)cc2)CC1)N1CCCC1 ZINC000014142370 556377432 /nfs/dbraw/zinc/37/74/32/556377432.db2.gz JSTGSVSEYWIJGA-QHCPKHFHSA-N 0 0 444.576 2.333 50 0 IEAARN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000014162048 556378674 /nfs/dbraw/zinc/37/86/74/556378674.db2.gz ZBSDUOGHJVELMG-LJQANCHMSA-N 0 0 435.267 2.498 50 0 IEAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCc1cnc2ccccn12 ZINC000011936561 556378680 /nfs/dbraw/zinc/37/86/80/556378680.db2.gz GHLKMDABGQFLMS-QFIPXVFZSA-N 0 0 427.508 2.494 50 0 IEAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(=O)c1cccs1 ZINC000014170510 556381352 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Cc1cc(N2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)nc(C(C)C)n1 ZINC000024219243 556694259 /nfs/dbraw/zinc/69/42/59/556694259.db2.gz HBGZTOPVCOPPDC-UHFFFAOYSA-N 0 0 442.564 2.154 50 0 IEAARN Cn1c2ncn(CCOC(=O)c3ccc(-c4ccc(F)cc4)s3)c2c(=O)n(C)c1=O ZINC000024283659 556700326 /nfs/dbraw/zinc/70/03/26/556700326.db2.gz XYXZHFIDZUPKGI-UHFFFAOYSA-N 0 0 428.445 2.158 50 0 IEAARN Cc1ccc2oc(N3CCN(C(=O)C[C@H](C)N4C(=O)c5ccccc5C4=O)CC3)nc2n1 ZINC000033027356 556706489 /nfs/dbraw/zinc/70/64/89/556706489.db2.gz NEPSYRVYDBCAII-HNNXBMFYSA-N 0 0 433.468 2.255 50 0 IEAARN COc1ccc2c(ccn2CCNC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)c1 ZINC000072324932 556722437 /nfs/dbraw/zinc/72/24/37/556722437.db2.gz JWSQFTUCWOXJNV-UHFFFAOYSA-N 0 0 436.468 2.193 50 0 biogenic IEAARN C[C@H]1CCCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)C1 ZINC000072329713 556727443 /nfs/dbraw/zinc/72/74/43/556727443.db2.gz FNSQRJVKSPJNCK-ZDUSSCGKSA-N 0 0 425.445 2.050 50 0 IEAARN COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc(C(=O)OC)c1 ZINC000054253741 556729467 /nfs/dbraw/zinc/72/94/67/556729467.db2.gz FRWIWGRDVFALCW-LJQANCHMSA-N 0 0 440.452 2.016 50 0 IEAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccco1 ZINC000061721174 556729502 /nfs/dbraw/zinc/72/95/02/556729502.db2.gz VSIXWOVNWPNCFG-UHFFFAOYSA-N 0 0 427.892 2.133 50 0 IEAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000005205151 556731903 /nfs/dbraw/zinc/73/19/03/556731903.db2.gz UAOHXMBTDCHQGE-XPBGTVIKSA-N 0 0 425.529 2.127 50 0 IEAARN CN1CCN(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)CC1 ZINC000033924405 556732276 /nfs/dbraw/zinc/73/22/76/556732276.db2.gz KWCGBXJFGTYYJI-NTEUORMPSA-N 0 0 429.329 2.308 50 0 IEAARN O=C(NCCc1ccccc1Cl)c1coc(CN2CCN(c3ncccn3)CC2)n1 ZINC000055042217 556732360 /nfs/dbraw/zinc/73/23/60/556732360.db2.gz SHFQCSILLWXOED-UHFFFAOYSA-N 0 0 426.908 2.413 50 0 IEAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCC(C)(C)O)CC2)cc1 ZINC000078823846 556736555 /nfs/dbraw/zinc/73/65/55/556736555.db2.gz 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C[C@@H](NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000019357537 556745404 /nfs/dbraw/zinc/74/54/04/556745404.db2.gz YKAVPVZCAOEBRJ-DFHORSDUSA-N 0 0 444.528 2.178 50 0 IEAARN C[C@@H](NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000019357535 556745432 /nfs/dbraw/zinc/74/54/32/556745432.db2.gz YKAVPVZCAOEBRJ-RMOVAFEQSA-N 0 0 444.528 2.178 50 0 IEAARN COCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057378902 556747443 /nfs/dbraw/zinc/74/74/43/556747443.db2.gz GHYSLQZQBXIQIL-UHFFFAOYSA-N 0 0 447.539 2.283 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N3CCO[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000206229009 556748776 /nfs/dbraw/zinc/74/87/76/556748776.db2.gz ZRDQMZGOQRKYOM-RTWAWAEBSA-N 0 0 437.496 2.148 50 0 IEAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000206250634 556749463 /nfs/dbraw/zinc/74/94/63/556749463.db2.gz YDIYGMJCDIVPSM-OAQYLSRUSA-N 0 0 434.496 2.388 50 0 IEAARN CCNC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 ZINC000057986863 556750480 /nfs/dbraw/zinc/75/04/80/556750480.db2.gz HODBHWPSIXYFSL-HNNXBMFYSA-N 0 0 449.533 2.472 50 0 IEAARN O=C(NCc1cccc(OCCN2CCOCC2)c1)c1nc(N2CCCC2)ncc1Cl ZINC000058004918 556752595 /nfs/dbraw/zinc/75/25/95/556752595.db2.gz ILTVJDQHLBHHMF-UHFFFAOYSA-N 0 0 445.951 2.371 50 0 IEAARN CCOc1ccc(Oc2cc(CNS(=O)(=O)N3CCC(C(=O)OC)CC3)ccn2)cc1 ZINC000058007291 556752945 /nfs/dbraw/zinc/75/29/45/556752945.db2.gz LJXVKOLXPCKZLI-UHFFFAOYSA-N 0 0 449.529 2.492 50 0 IEAARN COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2n[nH]c(-c3ccc(OC)cc3OC)n2)c1C ZINC000058027295 556754842 /nfs/dbraw/zinc/75/48/42/556754842.db2.gz QQMGCJFYEHPZLP-UHFFFAOYSA-N 0 0 443.460 2.489 50 0 IEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](OC[C@@H]1CCCO1)C(C)C ZINC000058061174 556756182 /nfs/dbraw/zinc/75/61/82/556756182.db2.gz XHVJTDZFYSOSMH-PXNSSMCTSA-N 0 0 440.562 2.175 50 0 IEAARN CC(C)Cn1c(N)c([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000058145675 556761679 /nfs/dbraw/zinc/76/16/79/556761679.db2.gz NPGQQQKYNCHDHM-NRFANRHFSA-N 0 0 434.544 2.081 50 0 IEAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccccc1N1CCC(O)CC1 ZINC000058146620 556762016 /nfs/dbraw/zinc/76/20/16/556762016.db2.gz JKQFMUFWMNSEQM-UHFFFAOYSA-N 0 0 444.557 2.162 50 0 IEAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC(=O)N1CCCCCC1)C2=O ZINC000058152926 556762242 /nfs/dbraw/zinc/76/22/42/556762242.db2.gz RAUNNNQVNTVIBQ-UHFFFAOYSA-N 0 0 434.581 2.422 50 0 IEAARN COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000061991186 556763515 /nfs/dbraw/zinc/76/35/15/556763515.db2.gz MHTNSZSQTDOLMT-GIJXAMHUSA-N 0 0 441.553 2.264 50 0 biogenic IEAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(Cc3nc(-c4cccnc4)no3)C2)CC1 ZINC000062022909 556766278 /nfs/dbraw/zinc/76/62/78/556766278.db2.gz NVMODZAFCFSTNP-KRWDZBQOSA-N 0 0 442.520 2.081 50 0 IEAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c(C)o1 ZINC000058202728 556771387 /nfs/dbraw/zinc/77/13/87/556771387.db2.gz MMEDUSOQFSAHIU-UHFFFAOYSA-N 0 0 434.518 2.137 50 0 IEAARN O=C(Nc1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000058226572 556773805 /nfs/dbraw/zinc/77/38/05/556773805.db2.gz PNEAUFQUXXBBGZ-UHFFFAOYSA-N 0 0 438.550 2.118 50 0 IEAARN Cc1ccc(OCc2nc(CN3CCN(CC(=O)N4CCOCC4)CC3)cs2)cc1 ZINC000058311494 556779737 /nfs/dbraw/zinc/77/97/37/556779737.db2.gz XUBMFXNFMKAZAT-UHFFFAOYSA-N 0 0 430.574 2.007 50 0 IEAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)no1 ZINC000058311463 556779797 /nfs/dbraw/zinc/77/97/97/556779797.db2.gz XEFLXCGJRKPZTI-CQSZACIVSA-N 0 0 446.529 2.170 50 0 IEAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)o1 ZINC000058367239 556783113 /nfs/dbraw/zinc/78/31/13/556783113.db2.gz KPXWSMVYOHHZAK-UHFFFAOYSA-N 0 0 445.497 2.013 50 0 IEAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000058392799 556785072 /nfs/dbraw/zinc/78/50/72/556785072.db2.gz NIDCHFCEPXVVBB-MRXNPFEDSA-N 0 0 438.410 2.141 50 0 IEAARN CC(C)[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)c1nc(-c2ccncc2)no1 ZINC000058403503 556785600 /nfs/dbraw/zinc/78/56/00/556785600.db2.gz JYLWBXYPZPFQBO-YOEHRIQHSA-N 0 0 433.472 2.283 50 0 IEAARN COC(=O)Nc1cccc(NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000058413283 556786578 /nfs/dbraw/zinc/78/65/78/556786578.db2.gz RYRRPQKRXDZQSA-UHFFFAOYSA-N 0 0 426.477 2.120 50 0 IEAARN CCN1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000019527840 556787696 /nfs/dbraw/zinc/78/76/96/556787696.db2.gz QQRBGKJXBQDKTC-UHFFFAOYSA-N 0 0 435.521 2.194 50 0 IEAARN CCS(=O)(=O)N(C)CCCNC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000058440304 556789010 /nfs/dbraw/zinc/78/90/10/556789010.db2.gz HYBHKXHPNMLJJI-UHFFFAOYSA-N 0 0 432.546 2.410 50 0 IEAARN NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1cccc(C(F)(F)F)c1)NS2(=O)=O ZINC000058465073 556789490 /nfs/dbraw/zinc/78/94/90/556789490.db2.gz CWNGJNCVTRPVOQ-CYBMUJFWSA-N 0 0 441.840 2.409 50 0 IEAARN CS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)CC1 ZINC000062130266 556791005 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COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)n(C)n2)c1 ZINC000038488961 569463075 /nfs/dbraw/zinc/46/30/75/569463075.db2.gz VBVIYJKEQYPMJG-UHFFFAOYSA-N 0 0 449.467 2.351 50 0 IEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000008425265 569464172 /nfs/dbraw/zinc/46/41/72/569464172.db2.gz QLXWGLKQYNQZJA-UBXANZILSA-N 0 0 448.500 2.334 50 0 IEAARN COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(NC(C)=O)cc4)c(=O)n3c(C)n2)cc1 ZINC000067226629 569465321 /nfs/dbraw/zinc/46/53/21/569465321.db2.gz BFHKJWHEYIIHQO-UHFFFAOYSA-N 0 0 446.467 2.472 50 0 IEAARN COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)cc1Cl ZINC000067245827 569465944 /nfs/dbraw/zinc/46/59/44/569465944.db2.gz LGEPZQPTEWBJTF-UHFFFAOYSA-N 0 0 439.921 2.324 50 0 IEAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccc(F)cc1Cl ZINC000067245824 569465950 /nfs/dbraw/zinc/46/59/50/569465950.db2.gz KZOLDKUZCAQZPN-UHFFFAOYSA-N 0 0 427.885 2.454 50 0 IEAARN COc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1=O ZINC000067256338 569466043 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