smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(C)(C)N1CCN(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)CC1 ZINC001311261088 1069311101 /nfs/dbraw/zinc/31/11/01/1069311101.db2.gz YVDSVZNSELMUMH-UHFFFAOYSA-N 0 1 454.287 3.922 20 0 JHADMN CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2c(F)cccc2F)CCN1CCOC ZINC001306623822 1069316383 /nfs/dbraw/zinc/31/63/83/1069316383.db2.gz GFZICWOQUXRVBE-AUSIDOKSSA-N 0 1 477.600 3.978 20 0 JHADMN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)NCc2n[nH]c(C3CCOCC3)n2)cc1 ZINC001311298227 1069319997 /nfs/dbraw/zinc/31/99/97/1069319997.db2.gz HRYNTFZUYILORB-UHFFFAOYSA-N 0 1 458.563 3.780 20 0 JHADMN CCC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2nccc(C(F)F)n2)CCN1CCOC ZINC001306626242 1069321457 /nfs/dbraw/zinc/32/14/57/1069321457.db2.gz WWFIZZZQAFINAX-GOSISDBHSA-N 0 1 463.577 3.649 20 0 JHADMN CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(F)(F)C2)CCN1CCOC ZINC001306629064 1069328013 /nfs/dbraw/zinc/32/80/13/1069328013.db2.gz IFZFAJPVVGYOCJ-LEWJYISDSA-N 0 1 479.620 3.512 20 0 JHADMN CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(C)(C)C)cs2)CCN1CCOC ZINC001306629790 1069328957 /nfs/dbraw/zinc/32/89/57/1069328957.db2.gz LHYFYXWOHXYFQC-MOPGFXCFSA-N 0 1 476.691 3.521 20 0 JHADMN CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)CCN1CCOC ZINC001306630198 1069329618 /nfs/dbraw/zinc/32/96/18/1069329618.db2.gz MNNZUWFEKGRYBJ-HSZRJFAPSA-N 0 1 483.636 3.573 20 0 JHADMN COC(=O)c1ccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1OC ZINC001311345829 1069331703 /nfs/dbraw/zinc/33/17/03/1069331703.db2.gz WZGIQYJHDATKKL-QFIPXVFZSA-N 0 1 455.555 3.517 20 0 JHADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001311370205 1069348079 /nfs/dbraw/zinc/34/80/79/1069348079.db2.gz NSAQQEZYZWFCDH-XZOQPEGZSA-N 0 1 455.002 3.967 20 0 JHADMN O=C(NCc1ccnc(OC2CCOCC2)c1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001311375858 1069350501 /nfs/dbraw/zinc/35/05/01/1069350501.db2.gz RWZZJBCJLHGYRV-JOCHJYFZSA-N 0 1 458.990 3.929 20 0 JHADMN CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001306650946 1069362508 /nfs/dbraw/zinc/36/25/08/1069362508.db2.gz ZMDPARBBQSXBIT-OAQYLSRUSA-N 0 1 490.643 3.569 20 0 JHADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@H]1c2ccccc2CC[C@H]1O ZINC001311421556 1069369195 /nfs/dbraw/zinc/36/91/95/1069369195.db2.gz CETNHTMKMVEQGQ-PKTZIBPZSA-N 0 1 476.543 3.565 20 0 JHADMN O=C(NCCCN1CCN(c2ccccc2)CC1)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001311424465 1069373294 /nfs/dbraw/zinc/37/32/94/1069373294.db2.gz TXJHVIRIYIHVFB-OAQYLSRUSA-N 0 1 456.034 3.678 20 0 JHADMN CC[C@H]1CN(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CC)CO1 ZINC001311423162 1069371407 /nfs/dbraw/zinc/37/14/07/1069371407.db2.gz MMFXWZJRHGVOFM-FPOVZHCZSA-N 0 1 456.553 3.817 20 0 JHADMN COCC(C)(C)N1CCN(C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC001311438018 1069379868 /nfs/dbraw/zinc/37/98/68/1069379868.db2.gz LNNCQZVDGHFENJ-DEOSSOPVSA-N 0 1 455.599 3.740 20 0 JHADMN CC(C)CN1CCO[C@H](CNC(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001311440591 1069381162 /nfs/dbraw/zinc/38/11/62/1069381162.db2.gz GVEUPCUJRSMDCE-QGZVFWFLSA-N 0 1 458.466 3.976 20 0 JHADMN CSc1ccc([C@H](CNC(=O)NCCCc2nc[nH]n2)N2CCc3sccc3C2)cc1 ZINC001311451583 1069384874 /nfs/dbraw/zinc/38/48/74/1069384874.db2.gz KCOAVZDTZUNFTN-IBGZPJMESA-N 0 1 456.641 3.620 20 0 JHADMN COc1ccc([C@@H](C)NC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1Br ZINC001311475931 1069396224 /nfs/dbraw/zinc/39/62/24/1069396224.db2.gz AMDKXRGIEPOLAB-SUNKGSAMSA-N 0 1 466.298 3.760 20 0 JHADMN C[C@H]1CN(Cc2ccc(CNC(=O)NCCc3cc(C(F)(F)F)ccn3)cc2)C[C@H](C)O1 ZINC001311493472 1069404131 /nfs/dbraw/zinc/40/41/31/1069404131.db2.gz ASGMJMQMQCOADQ-IRXDYDNUSA-N 0 1 450.505 3.752 20 0 JHADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001311494767 1069404977 /nfs/dbraw/zinc/40/49/77/1069404977.db2.gz HKJCMBMHJBCFDZ-HLIPFELVSA-N 0 1 454.537 3.660 20 0 JHADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001311494767 1069404982 /nfs/dbraw/zinc/40/49/82/1069404982.db2.gz HKJCMBMHJBCFDZ-HLIPFELVSA-N 0 1 454.537 3.660 20 0 JHADMN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC001311499128 1069408257 /nfs/dbraw/zinc/40/82/57/1069408257.db2.gz XEMPHPJSEOJBFD-JXQFQVJHSA-N 0 1 450.583 3.593 20 0 JHADMN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC001311499129 1069408338 /nfs/dbraw/zinc/40/83/38/1069408338.db2.gz XEMPHPJSEOJBFD-YDIMBITNSA-N 0 1 450.583 3.593 20 0 JHADMN CCN(CC)[C@@H](CNC(=O)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1Cl ZINC001311570043 1069442837 /nfs/dbraw/zinc/44/28/37/1069442837.db2.gz XFIPDBLWACEYEV-KVPLUYHFSA-N 0 1 451.011 3.887 20 0 JHADMN CCCN(C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001311571852 1069443363 /nfs/dbraw/zinc/44/33/63/1069443363.db2.gz NAVHTRRBKKXWSB-RPBOFIJWSA-N 0 1 456.675 3.964 20 0 JHADMN CCN(CC)C(=O)CCC1CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001311572705 1069444660 /nfs/dbraw/zinc/44/46/60/1069444660.db2.gz NNTQRPUVMZZYIO-QHCPKHFHSA-N 0 1 458.647 3.902 20 0 JHADMN CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1c(C)noc1C ZINC001306713294 1069444994 /nfs/dbraw/zinc/44/49/94/1069444994.db2.gz GWOOQEYFKWLISE-UHFFFAOYSA-N 0 1 451.619 3.684 20 0 JHADMN COC(=O)c1ccc2c(c1)CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)C2 ZINC001311624046 1069473828 /nfs/dbraw/zinc/47/38/28/1069473828.db2.gz YISXNZPCLLPYLP-QHCPKHFHSA-N 0 1 451.567 3.777 20 0 JHADMN C[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001311626440 1069476096 /nfs/dbraw/zinc/47/60/96/1069476096.db2.gz VPPNMSILIZILQW-CJFMBICVSA-N 0 1 452.599 3.671 20 0 JHADMN Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001311658824 1069491772 /nfs/dbraw/zinc/49/17/72/1069491772.db2.gz XRBGZKKUJROBOX-UWJYYQICSA-N 0 1 456.953 3.860 20 0 JHADMN CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CCN2CCc3ccccc3C2)C1 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JMRHBBXBEGEMFV-SFHVURJKSA-N 0 1 452.624 3.778 20 0 JHADMN CCC1(CC)[C@H](NC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)C[C@@H]1OC ZINC001312023925 1069677063 /nfs/dbraw/zinc/67/70/63/1069677063.db2.gz DVMMUHOIHBYRJF-UXHICEINSA-N 0 1 456.553 3.850 20 0 JHADMN CN(C)C[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001312069375 1069704360 /nfs/dbraw/zinc/70/43/60/1069704360.db2.gz STZOZLKJZQOZIA-ZWKOTPCHSA-N 0 1 458.525 3.911 20 0 JHADMN CN(C)C[C@@H](NC(=O)NCCCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1 ZINC001312108139 1069724308 /nfs/dbraw/zinc/72/43/08/1069724308.db2.gz SOBXKBGUZAQPTR-GOSISDBHSA-N 0 1 453.418 3.846 20 0 JHADMN CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001314182069 1069727169 /nfs/dbraw/zinc/72/71/69/1069727169.db2.gz BPTVVARJAWLXNU-QFIPXVFZSA-N 0 1 482.654 3.914 20 0 JHADMN CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001307025543 1069733224 /nfs/dbraw/zinc/73/32/24/1069733224.db2.gz JRGYNOZDWJVQDT-QHCPKHFHSA-N 0 1 454.663 3.837 20 0 JHADMN CCOc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC001314185617 1069738523 /nfs/dbraw/zinc/73/85/23/1069738523.db2.gz VHGPELPAQGRLRL-BJKOFHAPSA-N 0 1 471.646 3.912 20 0 JHADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC001312170884 1069764415 /nfs/dbraw/zinc/76/44/15/1069764415.db2.gz DOQWMINYKBHDGE-MHZLTWQESA-N 0 1 454.659 3.693 20 0 JHADMN COc1ccc(CN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C)C2CC2)cc1 ZINC001312171819 1069764861 /nfs/dbraw/zinc/76/48/61/1069764861.db2.gz VWWSBZZRKMFWLW-LJQANCHMSA-N 0 1 458.647 3.632 20 0 JHADMN CC(C)[C@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001312177475 1069767608 /nfs/dbraw/zinc/76/76/08/1069767608.db2.gz GACSLMHPMIZJPD-VXKWHMMOSA-N 0 1 452.039 3.980 20 0 JHADMN CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312216051 1069787317 /nfs/dbraw/zinc/78/73/17/1069787317.db2.gz BSQSZVADRQWLMH-NDBXHCKUSA-N 0 1 454.590 3.550 20 0 JHADMN 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453.764 3.517 20 0 JHADMN O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001306908067 1069681269 /nfs/dbraw/zinc/68/12/69/1069681269.db2.gz JAAFMADKOHNFLE-AEFFLSMTSA-N 0 1 455.363 3.949 20 0 JHADMN CCOc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@](C)(O)[C@@H](C)CC)cc1OC ZINC001314176919 1069709235 /nfs/dbraw/zinc/70/92/35/1069709235.db2.gz OJIXPGOFORSQOY-DFBJGRDBSA-N 0 1 459.635 3.680 20 0 JHADMN CCCN(CCn1c(Cc2ccncc2)nnc1N1CCN2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001307014247 1069720054 /nfs/dbraw/zinc/72/00/54/1069720054.db2.gz TZTDCEGERMKGND-QFIPXVFZSA-N 0 1 483.661 3.586 20 0 JHADMN CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001307017669 1069726388 /nfs/dbraw/zinc/72/63/88/1069726388.db2.gz BJBYXOFYFISNTG-DEOSSOPVSA-N 0 1 468.690 3.884 20 0 JHADMN C[C@H](NC(=O)NCC1(c2cccc(Br)c2)CCCCC1)[C@H]1CN(C)CCN1C ZINC001312153872 1069752492 /nfs/dbraw/zinc/75/24/92/1069752492.db2.gz UDWKKSCDFXPFKR-FXAWDEMLSA-N 0 1 451.453 3.585 20 0 JHADMN CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001312268623 1069825887 /nfs/dbraw/zinc/82/58/87/1069825887.db2.gz AFUZNLZMHAHDNI-UMGGQSCQSA-N 0 1 456.553 3.850 20 0 JHADMN CCCN1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307056831 1069829278 /nfs/dbraw/zinc/82/92/78/1069829278.db2.gz CJCAGKGTTUCJSQ-FCHUYYIVSA-N 0 1 491.677 3.676 20 0 JHADMN CCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F ZINC001307057380 1069832657 /nfs/dbraw/zinc/83/26/57/1069832657.db2.gz JIUOOMFUUAWCSO-LEWJYISDSA-N 0 1 477.650 3.610 20 0 JHADMN Cc1cc(C[C@@H](C)NC(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)n[nH]1 ZINC001312293651 1069843108 /nfs/dbraw/zinc/84/31/08/1069843108.db2.gz ZQTYDKOZYWAOBO-CYBMUJFWSA-N 0 1 453.356 3.642 20 0 JHADMN CC(C)(CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1Br ZINC001312330088 1069868206 /nfs/dbraw/zinc/86/82/06/1069868206.db2.gz HYVHZIJTRSIOOY-UHFFFAOYSA-N 0 1 458.360 3.923 20 0 JHADMN CCOc1ccnc(N2CCCN(c3nnc([C@@H](C)CC)n3C[C@@H](c3ccco3)N(C)C)CC2)n1 ZINC001314228418 1069906966 /nfs/dbraw/zinc/90/69/66/1069906966.db2.gz AUNUVTMDMCLDIV-PMACEKPBSA-N 0 1 482.633 3.593 20 0 JHADMN COc1ccc(C=C2N=C(SCc3nn[nH]n3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC001307235991 1069910335 /nfs/dbraw/zinc/91/03/35/1069910335.db2.gz DDKIBWHNWCFHHA-SXGWCWSVSA-N 0 1 456.915 3.547 20 0 JHADMN C[C@H](N1CCN(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC001312410654 1069916375 /nfs/dbraw/zinc/91/63/75/1069916375.db2.gz CEJVLCGGFRVUMZ-YEWWUXTCSA-N 0 1 450.908 3.750 20 0 JHADMN CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nc(C)n[nH]2)C1(C)C ZINC001314246578 1069962618 /nfs/dbraw/zinc/96/26/18/1069962618.db2.gz VBIVFHSWIMSXPX-OALUTQOASA-N 0 1 474.009 3.916 20 0 JHADMN CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)[nH]2)C1(C)C ZINC001314246578 1069962621 /nfs/dbraw/zinc/96/26/21/1069962621.db2.gz VBIVFHSWIMSXPX-OALUTQOASA-N 0 1 474.009 3.916 20 0 JHADMN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nc(C)n[nH]2)C1(C)C ZINC001314246582 1069962639 /nfs/dbraw/zinc/96/26/39/1069962639.db2.gz VBIVFHSWIMSXPX-RTBURBONSA-N 0 1 474.009 3.916 20 0 JHADMN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)[nH]2)C1(C)C ZINC001314246582 1069962645 /nfs/dbraw/zinc/96/26/45/1069962645.db2.gz VBIVFHSWIMSXPX-RTBURBONSA-N 0 1 474.009 3.916 20 0 JHADMN Cc1ccc([C@@H](C)N(C)CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC001307416586 1069974235 /nfs/dbraw/zinc/97/42/35/1069974235.db2.gz YMHUJUWPBVDIRX-HXUWFJFHSA-N 0 1 455.624 3.752 20 0 JHADMN C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1cc2ccccc2o1 ZINC001312501557 1069977239 /nfs/dbraw/zinc/97/72/39/1069977239.db2.gz MZWRSIFRTHNLJB-NRXGSXMXSA-N 0 1 453.461 3.751 20 0 JHADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC(NC(=O)c3ccsc3)CC2)[C@H](O)c2ccccc21 ZINC001307429349 1069980557 /nfs/dbraw/zinc/98/05/57/1069980557.db2.gz WDOJNHAIUWRPAZ-LEWJYISDSA-N 0 1 457.596 3.800 20 0 JHADMN Cc1ccc(-c2csc(CN3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001307438056 1069984161 /nfs/dbraw/zinc/98/41/61/1069984161.db2.gz GFXZAIUEBUARHA-IBGZPJMESA-N 0 1 458.628 3.971 20 0 JHADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC001312535073 1069997127 /nfs/dbraw/zinc/99/71/27/1069997127.db2.gz AYPWEAANHSPFCI-KRWDZBQOSA-N 0 1 457.332 3.588 20 0 JHADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CCN(c3cc(OC)ccn3)CC2)cc1 ZINC001307461168 1069998805 /nfs/dbraw/zinc/99/88/05/1069998805.db2.gz JGIBKDSVYMLIAD-HXUWFJFHSA-N 0 1 456.587 3.529 20 0 JHADMN C[C@H]1C[C@@H](c2ccccc2F)N(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1 ZINC001307503484 1070021111 /nfs/dbraw/zinc/02/11/11/1070021111.db2.gz HTVFQQZNWQZHGV-CPJSRVTESA-N 0 1 451.586 3.949 20 0 JHADMN CCN(CC1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)CC1)C(=O)OC(C)(C)C ZINC001307497288 1070018386 /nfs/dbraw/zinc/01/83/86/1070018386.db2.gz WZYOVOVNDLRPQD-QGZVFWFLSA-N 0 1 453.574 3.981 20 0 JHADMN CC[C@@H]1CN(C(=O)NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)CCN1Cc1ccccc1 ZINC001312573375 1070022893 /nfs/dbraw/zinc/02/28/93/1070022893.db2.gz VVAQFGOCBYTTIF-DHIUTWEWSA-N 0 1 450.583 3.803 20 0 JHADMN CCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)N(C)C)C1 ZINC001314272286 1070027113 /nfs/dbraw/zinc/02/71/13/1070027113.db2.gz TXMFIUMVRLVRSI-CTNGQTDRSA-N 0 1 469.586 3.864 20 0 JHADMN O=C(CN1CC[C@H]1Cc1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001307517479 1070029869 /nfs/dbraw/zinc/02/98/69/1070029869.db2.gz VGXFWASYXZYDLQ-SFHVURJKSA-N 0 1 452.908 3.719 20 0 JHADMN CCO[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001314277613 1070038256 /nfs/dbraw/zinc/03/82/56/1070038256.db2.gz ZKBOAQINGKMXHE-ZDXQCDESSA-N 0 1 485.673 3.793 20 0 JHADMN CN(CCN1CC2(C1)CCOCC2)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC001312618838 1070047486 /nfs/dbraw/zinc/04/74/86/1070047486.db2.gz KTERWYBUVVADKC-QAQDUYKDSA-N 0 1 454.384 3.588 20 0 JHADMN CN(CCOc1ccccc1F)C(=O)CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001307555173 1070049447 /nfs/dbraw/zinc/04/94/47/1070049447.db2.gz OVKQACPRYMCAKW-SFHVURJKSA-N 0 1 456.493 3.732 20 0 JHADMN CCOC(=O)c1sc2ccccc2c1CN1CCN(C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001307601811 1070076083 /nfs/dbraw/zinc/07/60/83/1070076083.db2.gz ALZUFQJETCVERM-HXUWFJFHSA-N 0 1 456.583 3.938 20 0 JHADMN CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001307622497 1070085338 /nfs/dbraw/zinc/08/53/38/1070085338.db2.gz DPCSBQKRXXGPOR-LJQANCHMSA-N 0 1 455.908 3.693 20 0 JHADMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC001307626858 1070087779 /nfs/dbraw/zinc/08/77/79/1070087779.db2.gz ODTXBXDTQCOKBR-GJZGRUSLSA-N 0 1 457.456 3.916 20 0 JHADMN Cc1ccc(S(=O)(=O)NC[C@H](NC[C@@H]2COc3ccccc3O2)c2ccccc2)c(C)c1 ZINC001307626639 1070087810 /nfs/dbraw/zinc/08/78/10/1070087810.db2.gz LQZPDHOWWYJJQX-YADHBBJMSA-N 0 1 452.576 3.753 20 0 JHADMN 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/nfs/dbraw/zinc/28/23/81/1069282381.db2.gz IZPJFVGIOJPENS-UHFFFAOYSA-N 0 1 459.388 3.591 20 0 JHADMN CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CCN1CCOC ZINC001306620083 1069305753 /nfs/dbraw/zinc/30/57/53/1069305753.db2.gz XCGHAEVNHSDEIL-QFIPXVFZSA-N 0 1 485.677 3.655 20 0 JHADMN CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)C1 ZINC001311254924 1069309359 /nfs/dbraw/zinc/30/93/59/1069309359.db2.gz JVASVBAVSHPOHQ-SFHVURJKSA-N 0 1 453.425 3.776 20 0 JHADMN O=C(CC1CC1)N[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21 ZINC001164652598 719324429 /nfs/dbraw/zinc/32/44/29/719324429.db2.gz CLUAJMYCKKADSQ-LOLUNWTRSA-N 0 1 460.622 3.540 20 0 JHADMN COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1C ZINC001164693610 719812368 /nfs/dbraw/zinc/81/23/68/719812368.db2.gz XBCXORNECCXVII-UHFFFAOYSA-N 0 1 475.018 3.808 20 0 JHADMN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1Cl ZINC001164694641 719889315 /nfs/dbraw/zinc/88/93/15/719889315.db2.gz BOGRJNUSTCHUCJ-UHFFFAOYSA-N 0 1 471.957 3.999 20 0 JHADMN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743199 720672318 /nfs/dbraw/zinc/67/23/18/720672318.db2.gz WYBWLRAUUZVTMD-KGLIPLIRSA-N 0 1 467.307 3.613 20 0 JHADMN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737908 720709372 /nfs/dbraw/zinc/70/93/72/720709372.db2.gz HRQGASXEYMPTQT-CHWSQXEVSA-N 0 1 467.307 3.613 20 0 JHADMN Clc1cccc(Oc2nc(Cl)ncc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164750640 720803117 /nfs/dbraw/zinc/80/31/17/720803117.db2.gz WLMXNSOHTRFVAP-WBVHZDCISA-N 0 1 459.337 3.708 20 0 JHADMN Cc1ccc(CN2CCC3(CC2)CCN(c2nc(Cl)nc4c2S(=O)(=O)CC4)CC3)cc1 ZINC001164759500 721046450 /nfs/dbraw/zinc/04/64/50/721046450.db2.gz NLLDEBIGANEXRI-UHFFFAOYSA-N 0 1 461.031 3.651 20 0 JHADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3C2)cn1 ZINC001164766417 721095147 /nfs/dbraw/zinc/09/51/47/721095147.db2.gz KFRDYNAKVUJXQF-CABCVRRESA-N 0 1 450.896 3.659 20 0 JHADMN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865640 721121574 /nfs/dbraw/zinc/12/15/74/721121574.db2.gz NTYRAXOEOXSFAW-SJLPKXTDSA-N 0 1 461.900 3.583 20 0 JHADMN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871094 721136515 /nfs/dbraw/zinc/13/65/15/721136515.db2.gz DPJWBTTZNUZLBA-OALUTQOASA-N 0 1 472.927 3.612 20 0 JHADMN COc1cccc(Oc2nc(Cl)ncc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870072 721185749 /nfs/dbraw/zinc/18/57/49/721185749.db2.gz SLCKFRCAMDWFQU-WIYYLYMNSA-N 0 1 467.957 3.806 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885090 721406981 /nfs/dbraw/zinc/40/69/81/721406981.db2.gz FLKMSTSOTUXTJM-XMSQKQJNSA-N 0 1 465.976 3.594 20 0 JHADMN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1 ZINC001164894237 721429777 /nfs/dbraw/zinc/42/97/77/721429777.db2.gz KZZSBXARPLUCPB-OXJNMPFZSA-N 0 1 461.022 3.767 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ncn4)C3)O2)CC1 ZINC001164895798 721443011 /nfs/dbraw/zinc/44/30/11/721443011.db2.gz POAOXTYAGYRBSA-RDGATRHJSA-N 0 1 453.656 3.534 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccc(Cl)cc54)C3)O2)CC1 ZINC001164897135 721443672 /nfs/dbraw/zinc/44/36/72/721443672.db2.gz SPHIBOJYMHYYQV-VGOFRKELSA-N 0 1 450.414 3.702 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164890718 721445799 /nfs/dbraw/zinc/44/57/99/721445799.db2.gz DMRGTZSVOSGAMF-SBUREZEXSA-N 0 1 465.976 3.986 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5c(Cl)cccc5nc4Cl)C3)O2)CC1 ZINC001164893811 721446147 /nfs/dbraw/zinc/44/61/47/721446147.db2.gz KRJOZUBSBIUWFF-KSFYIVLOSA-N 0 1 450.414 3.702 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)C3)O2)CC1 ZINC001164884286 721447703 /nfs/dbraw/zinc/44/77/03/721447703.db2.gz ANGJRZMVVWBGHI-VAVYLYDRSA-N 0 1 487.648 3.974 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892037 721451786 /nfs/dbraw/zinc/45/17/86/721451786.db2.gz VXSHAGGGTUIREG-FPOVZHCZSA-N 0 1 454.993 3.620 20 0 JHADMN CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)c1CN1CC[C@@H](CO)C1 ZINC001164900370 721498487 /nfs/dbraw/zinc/49/84/87/721498487.db2.gz OJBVZEIXJFHNIL-KXEAFHOWSA-N 0 1 484.685 3.912 20 0 JHADMN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909318 721528257 /nfs/dbraw/zinc/52/82/57/721528257.db2.gz RITXNXBZVPSTNQ-FUHWJXTLSA-N 0 1 496.917 3.723 20 0 JHADMN CCOC(=O)c1cc2c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH]c(C)c(C)c-2n1 ZINC001164804009 721563380 /nfs/dbraw/zinc/56/33/80/721563380.db2.gz KQYNCGPATSBCGS-FIXSFTCYSA-N 0 1 463.582 3.620 20 0 JHADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3ccn(C(=O)c4ccccc4)c3n2)[C@H]2CCCO[C@H]12 ZINC001164800377 721573012 /nfs/dbraw/zinc/57/30/12/721573012.db2.gz FGKCJLBEMSCRIH-GSLIJJQTSA-N 0 1 467.573 3.988 20 0 JHADMN CC(C)(C)OC(=O)Nc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164903671 721692126 /nfs/dbraw/zinc/69/21/26/721692126.db2.gz BHKCZGNRHGLJPV-JOCHJYFZSA-N 0 1 460.529 3.956 20 0 JHADMN CN(C)c1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164906876 721710714 /nfs/dbraw/zinc/71/07/14/721710714.db2.gz OWTYXNKENYVNEA-DEOSSOPVSA-N 0 1 465.552 3.737 20 0 JHADMN CC(C)N1Cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1=O ZINC001164904981 721719820 /nfs/dbraw/zinc/71/98/20/721719820.db2.gz GGZVOVPQSJEAJG-QFIPXVFZSA-N 0 1 476.959 3.627 20 0 JHADMN CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1C(=O)OCC ZINC001164911846 721738266 /nfs/dbraw/zinc/73/82/66/721738266.db2.gz LBDGYUFTMBWTSG-XMMPIXPASA-N 0 1 488.535 3.568 20 0 JHADMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001165009327 721742571 /nfs/dbraw/zinc/74/25/71/721742571.db2.gz BLTIDEZCKYDKCG-UHFFFAOYSA-N 0 1 464.610 3.707 20 0 JHADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165011294 721745054 /nfs/dbraw/zinc/74/50/54/721745054.db2.gz UOSCNKUGRGNVGA-UHFFFAOYSA-N 0 1 496.725 3.689 20 0 JHADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3cc4c(cc32)OCCO4)CC1 ZINC001165021392 721839138 /nfs/dbraw/zinc/83/91/38/721839138.db2.gz MDUDUWVZHKSTKI-UHFFFAOYSA-N 0 1 450.539 3.519 20 0 JHADMN COc1cccc(OC)c1CN1CCC(N(C)c2c(Cl)nnc(Cl)c2N2CCOCC2)CC1 ZINC001165030885 721845490 /nfs/dbraw/zinc/84/54/90/721845490.db2.gz LOBUGANFUCYACA-UHFFFAOYSA-N 0 1 496.439 3.738 20 0 JHADMN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164937148 721913781 /nfs/dbraw/zinc/91/37/81/721913781.db2.gz HXVQCCVYEICFPV-HDICACEKSA-N 0 1 481.691 3.927 20 0 JHADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5c4ncn5-c4ccccc4)CC3)C2)cc1 ZINC001164939930 721932769 /nfs/dbraw/zinc/93/27/69/721932769.db2.gz OZSQVUPVIZZKOT-UHFFFAOYSA-N 0 1 454.578 3.995 20 0 JHADMN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164959898 722028447 /nfs/dbraw/zinc/02/84/47/722028447.db2.gz JJQARQXYJJXHGE-BFLUCZKCSA-N 0 1 460.553 3.989 20 0 JHADMN COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963260 722055638 /nfs/dbraw/zinc/05/56/38/722055638.db2.gz KELDBIJGATUZCA-UHFFFAOYSA-N 0 1 453.974 3.806 20 0 JHADMN COc1ccc2nc(Cl)cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2n1 ZINC001164963797 722056887 /nfs/dbraw/zinc/05/68/87/722056887.db2.gz LGDHEKFQBWAUHD-UHFFFAOYSA-N 0 1 453.974 3.806 20 0 JHADMN CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975694 722111351 /nfs/dbraw/zinc/11/13/51/722111351.db2.gz KJMSKGGSXSLBIE-PZJWPPBQSA-N 0 1 479.606 3.504 20 0 JHADMN Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164982315 722129939 /nfs/dbraw/zinc/12/99/39/722129939.db2.gz RPINIGIGNGJZOT-YLJYHZDGSA-N 0 1 470.936 3.579 20 0 JHADMN COc1ccc(Cc2c(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164973887 722153479 /nfs/dbraw/zinc/15/34/79/722153479.db2.gz NLJVXSCPFPFPQF-RPLLCQBOSA-N 0 1 473.621 3.815 20 0 JHADMN CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164991915 722187532 /nfs/dbraw/zinc/18/75/32/722187532.db2.gz QQBRAWJIFGTONO-DEOSSOPVSA-N 0 1 462.638 3.741 20 0 JHADMN CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996649 722208449 /nfs/dbraw/zinc/20/84/49/722208449.db2.gz UTUJVYXTCXAMJP-HFZDXXHNSA-N 0 1 467.589 3.640 20 0 JHADMN CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2c(C)noc2C)CCN1CCOC ZINC001306626452 1069321650 /nfs/dbraw/zinc/32/16/50/1069321650.db2.gz YMTVSQZNIMLGKO-BVYCBKJFSA-N 0 1 474.650 3.518 20 0 JHADMN O=C(NC1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1)OCc1ccccc1 ZINC001311342809 1069330939 /nfs/dbraw/zinc/33/09/39/1069330939.db2.gz FBHWSRUMSRFCQK-JOCHJYFZSA-N 0 1 454.571 3.907 20 0 JHADMN COc1ccc([C@@H](CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)N(C)C)cc1OC ZINC001311347605 1069334512 /nfs/dbraw/zinc/33/45/12/1069334512.db2.gz DNVNZLPAPGFUKY-KNKQGSTJSA-N 0 1 465.953 3.928 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CCCOc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCN2CCSCC2)cc1OC ZINC001313504051 1070535929 /nfs/dbraw/zinc/53/59/29/1070535929.db2.gz VLEZGLWQKUPAMO-JOCHJYFZSA-N 0 1 489.686 3.653 20 0 JHADMN CCCOc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCN2CCSCC2)cc1OC ZINC001313504068 1070536377 /nfs/dbraw/zinc/53/63/77/1070536377.db2.gz VLEZGLWQKUPAMO-QFIPXVFZSA-N 0 1 489.686 3.653 20 0 JHADMN CCCOc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@@]2(C)CCCO2)cc1OC ZINC001313505536 1070543902 /nfs/dbraw/zinc/54/39/02/1070543902.db2.gz KLIJCCGJIBMJMB-RUZDIDTESA-N 0 1 457.619 3.842 20 0 JHADMN O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)NCCc1coc(-c2ccccc2)n1 ZINC001309142292 1070564695 /nfs/dbraw/zinc/56/46/95/1070564695.db2.gz QDLIXXFATKZCBJ-LJAQVGFWSA-N 0 1 459.471 3.765 20 0 JHADMN CC[S@](=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001314572460 1070579277 /nfs/dbraw/zinc/57/92/77/1070579277.db2.gz GOPSURGETQWZES-CFXMIPBISA-N 0 1 471.715 3.923 20 0 JHADMN CC[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 ZINC001314573376 1070579757 /nfs/dbraw/zinc/57/97/57/1070579757.db2.gz ULQQICFUMNRZLS-MGBGTMOVSA-N 0 1 487.073 3.863 20 0 JHADMN CCS[C@@H](C)c1noc(CN(C)c2nnc(C)n2CC2(CN3CCOCC3)CCCCC2)n1 ZINC001314577585 1070586964 /nfs/dbraw/zinc/58/69/64/1070586964.db2.gz QPRIIDFSDNNPKR-SFHVURJKSA-N 0 1 477.679 3.703 20 0 JHADMN O=S(=O)(NCC1(N2CCSCC2)CCCCC1)c1cc(F)ccc1Br ZINC001309183610 1070590891 /nfs/dbraw/zinc/59/08/91/1070590891.db2.gz LDGPRSHWWJNXKM-UHFFFAOYSA-N 0 1 451.427 3.618 20 0 JHADMN COc1ccccc1[C@H](NS(=O)(=O)c1sc(Br)cc1C)c1noc(C)n1 ZINC001309200606 1070601106 /nfs/dbraw/zinc/60/11/06/1070601106.db2.gz HEMWPYXWUVEIER-AWEZNQCLSA-N 0 1 458.359 3.587 20 0 JHADMN CCCO[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001313528673 1070607537 /nfs/dbraw/zinc/60/75/37/1070607537.db2.gz QNXNFUZJYXUHIO-FYYLOGMGSA-N 0 1 471.646 3.708 20 0 JHADMN C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)[C@@H]1c1cccs1 ZINC001309219766 1070618994 /nfs/dbraw/zinc/61/89/94/1070618994.db2.gz 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3.839 20 0 JHADMN CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313588004 1070714763 /nfs/dbraw/zinc/71/47/63/1070714763.db2.gz OUCYLXWIPJFHPM-IEBWSBKVSA-N 0 1 498.068 3.871 20 0 JHADMN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001309357316 1070720007 /nfs/dbraw/zinc/72/00/07/1070720007.db2.gz IKUOTMCSPLKAQT-OAHLLOKOSA-N 0 1 452.602 3.577 20 0 JHADMN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001309358649 1070720705 /nfs/dbraw/zinc/72/07/05/1070720705.db2.gz OJTIHTADLSTKKX-NSHDSACASA-N 0 1 458.412 3.736 20 0 JHADMN CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313617548 1070741658 /nfs/dbraw/zinc/74/16/58/1070741658.db2.gz BPOCQMQDJWARQY-SFHVURJKSA-N 0 1 498.118 3.722 20 0 JHADMN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccco1 ZINC001314649064 1070754199 /nfs/dbraw/zinc/75/41/99/1070754199.db2.gz LENMYKCTMAVQET-AWEZNQCLSA-N 0 1 491.440 3.896 20 0 JHADMN CCN(CC(C)C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001313624880 1070754629 /nfs/dbraw/zinc/75/46/29/1070754629.db2.gz YISQDQPVGUSMSE-JOCHJYFZSA-N 0 1 490.656 3.618 20 0 JHADMN CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1)C1CCCCC1 ZINC001313624824 1070754802 /nfs/dbraw/zinc/75/48/02/1070754802.db2.gz ZPTITZWIIJAUMD-PMVMPFDFSA-N 0 1 463.667 3.518 20 0 JHADMN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCCO)CC1)c1ccccc1Cl ZINC001314649747 1070757019 /nfs/dbraw/zinc/75/70/19/1070757019.db2.gz OMBUDWXADPWBAA-QFIPXVFZSA-N 0 1 472.037 3.624 20 0 JHADMN CN(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1cccc(F)c1 ZINC001314650356 1070758581 /nfs/dbraw/zinc/75/85/81/1070758581.db2.gz HWBCIUORYDABPN-DHIUTWEWSA-N 0 1 459.610 3.951 20 0 JHADMN CN(C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314650596 1070759497 /nfs/dbraw/zinc/75/94/97/1070759497.db2.gz JVTHQPVAZFDFGX-VQTJNVASSA-N 0 1 474.675 3.579 20 0 JHADMN 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C[S@](=O)(=NS(=O)(=O)[N-]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001309722868 1070939546 /nfs/dbraw/zinc/93/95/46/1070939546.db2.gz FPKQZUYEWHSJMK-AFJIDDCJSA-N 0 1 453.674 3.554 20 0 JHADMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001309767316 1070960308 /nfs/dbraw/zinc/96/03/08/1070960308.db2.gz JTKSIPHZHQEBGB-FOIQADDNSA-N 0 1 455.393 3.918 20 0 JHADMN CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC001314736231 1070961983 /nfs/dbraw/zinc/96/19/83/1070961983.db2.gz FMWSLLLXHOZFSQ-HKUYNNGSSA-N 0 1 461.513 3.916 20 0 JHADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001309774290 1070962738 /nfs/dbraw/zinc/96/27/38/1070962738.db2.gz UUNDLIQVJFKXNL-SMDDNHRTSA-N 0 1 459.412 3.843 20 0 JHADMN CN(C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)c1ccco1 ZINC001314737085 1070965948 /nfs/dbraw/zinc/96/59/48/1070965948.db2.gz KEKNAVPNHDKEDJ-MHYLJGINSA-N 0 1 471.627 3.789 20 0 JHADMN CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1F)c1cccs1 ZINC001314752328 1071005269 /nfs/dbraw/zinc/00/52/69/1071005269.db2.gz KZNBQONHRCCVJL-LJQANCHMSA-N 0 1 456.591 3.654 20 0 JHADMN O=S(=O)(Cc1ccsc1Br)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001309907276 1071012129 /nfs/dbraw/zinc/01/21/29/1071012129.db2.gz ZUVGYWYMOJTYCP-UHFFFAOYSA-N 0 1 458.325 3.962 20 0 JHADMN COC(=O)[C@@]1(NS(=O)(=O)c2c(F)cccc2Br)CC[C@H](C)c2ccccc21 ZINC001309955713 1071028595 /nfs/dbraw/zinc/02/85/95/1071028595.db2.gz USHPCMYCWVFARW-HXPMCKFVSA-N 0 1 456.333 3.832 20 0 JHADMN CN(CC1CC(F)(F)C1)c1nnc(C(C)(C)C)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001314781515 1071056559 /nfs/dbraw/zinc/05/65/59/1071056559.db2.gz ZBHADDQRDLBPRG-UHFFFAOYSA-N 0 1 460.617 3.875 20 0 JHADMN CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001313741836 1071067948 /nfs/dbraw/zinc/06/79/48/1071067948.db2.gz SREWANCDYHSFNJ-SZPZYZBQSA-N 0 1 482.673 3.623 20 0 JHADMN CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001313745617 1071073901 /nfs/dbraw/zinc/07/39/01/1071073901.db2.gz JTDZHTOYZQEILZ-OYRHEFFESA-N 0 1 466.605 3.929 20 0 JHADMN CN(C[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800088 1071078567 /nfs/dbraw/zinc/07/85/67/1071078567.db2.gz GJOUVMQWWUWSLH-FGZHOGPDSA-N 0 1 488.677 3.865 20 0 JHADMN CN(C[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CC=CCC2)C1)C(=O)OC(C)(C)C ZINC001314800089 1071079338 /nfs/dbraw/zinc/07/93/38/1071079338.db2.gz GJOUVMQWWUWSLH-VXKWHMMOSA-N 0 1 488.677 3.865 20 0 JHADMN CN1CCN(c2ccccc2NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC1 ZINC001310046868 1071082405 /nfs/dbraw/zinc/08/24/05/1071082405.db2.gz UYPABRACPYVMHA-NRFANRHFSA-N 0 1 459.388 3.806 20 0 JHADMN Cc1nc(CN2CCN(C(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)CC2)n[nH]1 ZINC001310054098 1071086750 /nfs/dbraw/zinc/08/67/50/1071086750.db2.gz PMQHNXPKTYZMOU-UHFFFAOYSA-N 0 1 456.497 3.655 20 0 JHADMN CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001313755871 1071097024 /nfs/dbraw/zinc/09/70/24/1071097024.db2.gz QOUFPBGNGGZGEA-WOJBJXKFSA-N 0 1 486.064 3.782 20 0 JHADMN CN(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314809219 1071099530 /nfs/dbraw/zinc/09/95/30/1071099530.db2.gz CYTKJWJWUNSDDF-FPOVZHCZSA-N 0 1 495.628 3.929 20 0 JHADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 ZINC001313760963 1071108126 /nfs/dbraw/zinc/10/81/26/1071108126.db2.gz YMQZOADJWZXJEO-IBGZPJMESA-N 0 1 481.645 3.510 20 0 JHADMN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCN(C)C(C)(C)C3)c2)c1C(F)(F)F ZINC001310118563 1071131901 /nfs/dbraw/zinc/13/19/01/1071131901.db2.gz OIPHHVDJERBMPV-UHFFFAOYSA-N 0 1 453.465 3.626 20 0 JHADMN CN(CCC(F)(F)F)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1CCOCC1 ZINC001314823045 1071143584 /nfs/dbraw/zinc/14/35/84/1071143584.db2.gz ARBDGNBVJGQWHM-UHFFFAOYSA-N 0 1 464.536 3.851 20 0 JHADMN CCCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC4(CCOCC4)O3)cc2Cl)CC1 ZINC001310190856 1071196034 /nfs/dbraw/zinc/19/60/34/1071196034.db2.gz HJALZNLJTRCDLR-LJQANCHMSA-N 0 1 451.011 3.722 20 0 JHADMN CN(CCCn1c(C2CCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC(F)(F)F ZINC001314848358 1071208010 /nfs/dbraw/zinc/20/80/10/1071208010.db2.gz KQOBBICIUGGTJH-PZJWPPBQSA-N 0 1 496.626 3.683 20 0 JHADMN CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1)CCC(F)(F)F ZINC001313804197 1071214278 /nfs/dbraw/zinc/21/42/78/1071214278.db2.gz CQUWFWKBRXOVQR-FQEVSTJZSA-N 0 1 496.578 3.659 20 0 JHADMN CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)CCC(F)(F)F ZINC001313809735 1071237877 /nfs/dbraw/zinc/23/78/77/1071237877.db2.gz LYWKOIFJJVDBSU-KBXCAEBGSA-N 0 1 488.505 3.979 20 0 JHADMN CCN(CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCS[C@H](C)C1)CCC(F)(F)F ZINC001313809715 1071237615 /nfs/dbraw/zinc/23/76/15/1071237615.db2.gz LUDIACJHNYSCAY-OAHLLOKOSA-N 0 1 495.575 3.810 20 0 JHADMN CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)CCC(F)(F)F ZINC001313813520 1071254423 /nfs/dbraw/zinc/25/44/23/1071254423.db2.gz DQDWYQHCNHVVNX-CVEARBPZSA-N 0 1 487.489 3.604 20 0 JHADMN CCN(CCn1c(C2CCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)CCC(F)(F)F ZINC001313814032 1071256752 /nfs/dbraw/zinc/25/67/52/1071256752.db2.gz BLSWJCLTHRXPNB-LJQANCHMSA-N 0 1 468.572 3.870 20 0 JHADMN C[N@H+](CCn1c(C2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCCC1 ZINC001314865944 1071268549 /nfs/dbraw/zinc/26/85/49/1071268549.db2.gz NVSUGCQKQROAJE-UHFFFAOYSA-N 0 1 470.584 3.705 20 0 JHADMN C[N@@H+](CCn1c(C2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCCC1 ZINC001314865944 1071268560 /nfs/dbraw/zinc/26/85/60/1071268560.db2.gz NVSUGCQKQROAJE-UHFFFAOYSA-N 0 1 470.584 3.705 20 0 JHADMN CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CC1 ZINC001313817857 1071266576 /nfs/dbraw/zinc/26/65/76/1071266576.db2.gz BBMFNOYIPIADPG-UHFFFAOYSA-N 0 1 492.590 3.557 20 0 JHADMN CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CC1 ZINC001313817857 1071266586 /nfs/dbraw/zinc/26/65/86/1071266586.db2.gz BBMFNOYIPIADPG-UHFFFAOYSA-N 0 1 492.590 3.557 20 0 JHADMN CCN(CCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCSC2)C1)CCC(F)(F)F ZINC001313819510 1071273611 /nfs/dbraw/zinc/27/36/11/1071273611.db2.gz CLFQHRLXZZUMSC-NRFANRHFSA-N 0 1 468.593 3.872 20 0 JHADMN CCN(CCn1c(CC2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001313820056 1071276392 /nfs/dbraw/zinc/27/63/92/1071276392.db2.gz SLUQTYGDWAFDHE-VQTJNVASSA-N 0 1 473.584 3.669 20 0 JHADMN CN(C)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCOC(C)(C)C)c1ccco1 ZINC001314876769 1071293869 /nfs/dbraw/zinc/29/38/69/1071293869.db2.gz ZWGVXFFMWOIXRN-GOSISDBHSA-N 0 1 455.559 3.821 20 0 JHADMN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCSCC(F)(F)F ZINC001314892230 1071322312 /nfs/dbraw/zinc/32/23/12/1071322312.db2.gz GTPLSGJRCBKIBF-QFBILLFUSA-N 0 1 496.607 3.822 20 0 JHADMN Cn1cc(CN2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCCOC(F)F)CC2)cn1 ZINC001314904896 1071342834 /nfs/dbraw/zinc/34/28/34/1071342834.db2.gz DRNPTRYKPITVAP-UHFFFAOYSA-N 0 1 479.963 3.674 20 0 JHADMN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccsc1 ZINC001314927047 1071369797 /nfs/dbraw/zinc/36/97/97/1071369797.db2.gz GMZZMWNNTMCRHC-LJQANCHMSA-N 0 1 458.676 3.680 20 0 JHADMN COC(=O)COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c2cccnc12 ZINC001310424140 1071383095 /nfs/dbraw/zinc/38/30/95/1071383095.db2.gz BUMIOXKXFAFDEU-IBGZPJMESA-N 0 1 452.511 3.647 20 0 JHADMN CCN1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001313903647 1071515632 /nfs/dbraw/zinc/51/56/32/1071515632.db2.gz DATYICUAYYESBR-QKNQBKEWSA-N 0 1 459.660 3.705 20 0 JHADMN CNC(=O)CCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001315026137 1071550813 /nfs/dbraw/zinc/55/08/13/1071550813.db2.gz HAMQJOQCDWNWMY-CALCHBBNSA-N 0 1 495.043 3.588 20 0 JHADMN CCN1CC[NH+]([C@@H](C)Cn2c(N3CCC([C@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926978 1071578223 /nfs/dbraw/zinc/57/82/23/1071578223.db2.gz GRVYKTVQJRXKSA-GBXCKJPGSA-N 0 1 486.680 3.691 20 0 JHADMN CCN1CCN(c2ccc(Cn3c(C(C)C)nnc3N(C)Cc3ccc(OC)cc3OC)cn2)CC1 ZINC001313927282 1071579260 /nfs/dbraw/zinc/57/92/60/1071579260.db2.gz KDHIWNPCBNBRGK-UHFFFAOYSA-N 0 1 493.656 3.640 20 0 JHADMN CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313928634 1071584500 /nfs/dbraw/zinc/58/45/00/1071584500.db2.gz CBXBKGTTZOSEIY-UXHICEINSA-N 0 1 475.609 3.673 20 0 JHADMN CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313929842 1071588234 /nfs/dbraw/zinc/58/82/34/1071588234.db2.gz AMNUAVGDDSAGQC-HXUWFJFHSA-N 0 1 494.640 3.810 20 0 JHADMN CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313930361 1071589366 /nfs/dbraw/zinc/58/93/66/1071589366.db2.gz LZABFIKSFXXSPM-RBUKOAKNSA-N 0 1 472.609 3.537 20 0 JHADMN CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313930499 1071590345 /nfs/dbraw/zinc/59/03/45/1071590345.db2.gz DRDSJRZAQHTOFB-HNNXBMFYSA-N 0 1 495.491 3.558 20 0 JHADMN 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COc1ccc2nc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164880708 721157067 /nfs/dbraw/zinc/15/70/67/721157067.db2.gz XFEDEBCKLRRHHK-SJLPKXTDSA-N 0 1 475.927 3.711 20 0 JHADMN COc1cccc(Oc2nc(Cl)ncc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870064 721186982 /nfs/dbraw/zinc/18/69/82/721186982.db2.gz SLCKFRCAMDWFQU-GHTZIAJQSA-N 0 1 467.957 3.806 20 0 JHADMN COc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761151 721241619 /nfs/dbraw/zinc/24/16/19/721241619.db2.gz HVBHZKWUMQLVRF-QZTJIDSGSA-N 0 1 454.962 3.623 20 0 JHADMN CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC2)C1 ZINC001164869892 721267497 /nfs/dbraw/zinc/26/74/97/721267497.db2.gz SKKISORTBBGAAH-UHFFFAOYSA-N 0 1 492.998 3.954 20 0 JHADMN O=S(=O)([N-]c1ccc(F)c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1)c1ccc(Cl)nc1 ZINC001164770561 721300477 /nfs/dbraw/zinc/30/04/77/721300477.db2.gz UCVQRKYQCHVDDR-UHFFFAOYSA-N 0 1 450.967 3.597 20 0 JHADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ncn4C(C)C)C2)C1 ZINC001164784064 721360872 /nfs/dbraw/zinc/36/08/72/721360872.db2.gz QGAVQILDWVOTGM-QHCPKHFHSA-N 0 1 474.009 3.784 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)O2)CC1 ZINC001164894098 721393701 /nfs/dbraw/zinc/39/37/01/721393701.db2.gz XQYQUVKVUZHWSO-AVRDEDQJSA-N 0 1 465.976 3.594 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892403 721401909 /nfs/dbraw/zinc/40/19/09/721401909.db2.gz YACRICZWUGRBSD-VGOFRKELSA-N 0 1 450.414 3.702 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)O2)CC1 ZINC001164885084 721405974 /nfs/dbraw/zinc/40/59/74/721405974.db2.gz FLKMSTSOTUXTJM-AVRDEDQJSA-N 0 1 465.976 3.594 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888958 721408491 /nfs/dbraw/zinc/40/84/91/721408491.db2.gz PVWNNQGOTKCIGR-AOMKIAJQSA-N 0 1 450.414 3.702 20 0 JHADMN C[C@@H]1CCc2c(sc3ncnc(N4CC[C@]5(C4)CCC[C@H](CN4CCN(C)CC4)O5)c32)C1 ZINC001164886146 721409493 /nfs/dbraw/zinc/40/94/93/721409493.db2.gz HVHQOUIBLKBXDM-RRQZXNHTSA-N 0 1 455.672 3.582 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164883569 721421043 /nfs/dbraw/zinc/42/10/43/721421043.db2.gz AWKTVDIRRCQKPG-VGOFRKELSA-N 0 1 465.976 3.594 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(Cl)c(Cl)cc54)C3)O2)CC1 ZINC001164889517 721425574 /nfs/dbraw/zinc/42/55/74/721425574.db2.gz BFXMYSFUGIAAQT-KSFYIVLOSA-N 0 1 450.414 3.702 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nnc(Cc5ccccc5)c5ccccc54)C3)O2)CC1 ZINC001164890785 721431941 /nfs/dbraw/zinc/43/19/41/721431941.db2.gz FSKQJVJHSLXDFO-GIGWZHCTSA-N 0 1 471.649 3.986 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C3)O2)CC1 ZINC001164889617 721435886 /nfs/dbraw/zinc/43/58/86/721435886.db2.gz CHKGAMARDDOMTR-ZEQKJWHPSA-N 0 1 484.044 3.753 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899859 721439537 /nfs/dbraw/zinc/43/95/37/721439537.db2.gz ZKPNEBOAGWFTCO-FDDCHVKYSA-N 0 1 493.002 3.502 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895396 721441379 /nfs/dbraw/zinc/44/13/79/721441379.db2.gz OJCCKFRLHBNXMI-FTBPSBKWSA-N 0 1 490.023 3.690 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164896860 721444070 /nfs/dbraw/zinc/44/40/70/721444070.db2.gz SGUNXTXSNGZUGK-LITSAYRRSA-N 0 1 490.696 3.899 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897582 721444759 /nfs/dbraw/zinc/44/47/59/721444759.db2.gz UFEJGGXPJGLRFH-NLFFAJNJSA-N 0 1 464.639 3.519 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887992 721447182 /nfs/dbraw/zinc/44/71/82/721447182.db2.gz LLJWRBGVSIIJTE-DNVCBOLYSA-N 0 1 465.372 3.579 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164890871 721450571 /nfs/dbraw/zinc/45/05/71/721450571.db2.gz SXXKBESGILBQRY-DNVCBOLYSA-N 0 1 465.372 3.579 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)O2)CC1 ZINC001164890316 721451536 /nfs/dbraw/zinc/45/15/36/721451536.db2.gz QSFTYQZOPXVWDA-TZIWHRDSSA-N 0 1 454.993 3.620 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892039 721451577 /nfs/dbraw/zinc/45/15/77/721451577.db2.gz VXSHAGGGTUIREG-TZIWHRDSSA-N 0 1 454.993 3.620 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C3)O2)CC1 ZINC001164889886 721453913 /nfs/dbraw/zinc/45/39/13/721453913.db2.gz PRDAUUZFEJANTL-FDDCHVKYSA-N 0 1 483.488 3.539 20 0 JHADMN CN1CCN(Cc2cn3c(n2)CN(c2nc(-c4cccc(Cl)c4)nc4c2CCCC4)CC3)CC1 ZINC001164795059 721520737 /nfs/dbraw/zinc/52/07/37/721520737.db2.gz JAVRJPVQVRUMOS-UHFFFAOYSA-N 0 1 478.044 3.640 20 0 JHADMN O=C(c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164906492 721556255 /nfs/dbraw/zinc/55/62/55/721556255.db2.gz JRHRZDVSJDNWEV-PZJWPPBQSA-N 0 1 458.965 3.842 20 0 JHADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)[C@H]2CCCO[C@@H]12 ZINC001164806047 721574757 /nfs/dbraw/zinc/57/47/57/721574757.db2.gz PFHLMHDCEOQNDL-NNMXDRDESA-N 0 1 479.585 3.568 20 0 JHADMN O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1)N1CCCCC1 ZINC001164906111 721585722 /nfs/dbraw/zinc/58/57/22/721585722.db2.gz LKEXJYBWKOTEIQ-XMMPIXPASA-N 0 1 455.553 3.840 20 0 JHADMN FC(F)(COc1cncc(Cl)n1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909665 721727870 /nfs/dbraw/zinc/72/78/70/721727870.db2.gz CQTGMYOFPVQQRA-SFHVURJKSA-N 0 1 459.875 3.730 20 0 JHADMN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911620 721736959 /nfs/dbraw/zinc/73/69/59/721736959.db2.gz JRKHSSNXROJSDX-VFNWGFHPSA-N 0 1 465.932 3.539 20 0 JHADMN Cc1sc2nc(-c3cccnc3)nc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c2c1C ZINC001165010779 721745358 /nfs/dbraw/zinc/74/53/58/721745358.db2.gz PEAGUFICKPHSJD-UHFFFAOYSA-N 0 1 464.639 3.893 20 0 JHADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC001165013055 721748133 /nfs/dbraw/zinc/74/81/33/721748133.db2.gz SMCOEACFOVZYSG-UHFFFAOYSA-N 0 1 491.665 3.550 20 0 JHADMN COC(=O)c1ccc2nc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)ncc2c1 ZINC001165021581 721839010 /nfs/dbraw/zinc/83/90/10/721839010.db2.gz OYPPNVGVXHTEQY-UHFFFAOYSA-N 0 1 450.539 3.534 20 0 JHADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(-c3ccccc3)nc(N(C)C)n2)CC1 ZINC001165021249 721841986 /nfs/dbraw/zinc/84/19/86/721841986.db2.gz JHODXLFIMLHNOB-UHFFFAOYSA-N 0 1 462.598 3.723 20 0 JHADMN CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164940520 721926130 /nfs/dbraw/zinc/92/61/30/721926130.db2.gz SLXQZDYVVFRVBN-UHFFFAOYSA-N 0 1 460.578 3.986 20 0 JHADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)CC3)C2)cc1 ZINC001164939085 721931174 /nfs/dbraw/zinc/93/11/74/721931174.db2.gz INZCMXVSKKWJRO-UHFFFAOYSA-N 0 1 498.675 3.983 20 0 JHADMN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164956104 722033164 /nfs/dbraw/zinc/03/31/64/722033164.db2.gz BWKWFNRHOIAAGD-YWEHKCAJSA-N 0 1 453.590 3.568 20 0 JHADMN COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)c1 ZINC001164961502 722060688 /nfs/dbraw/zinc/06/06/88/722060688.db2.gz KYVAOEMMEFBHTI-UHFFFAOYSA-N 0 1 475.593 3.675 20 0 JHADMN COc1ccc(Cc2c(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164973883 722153587 /nfs/dbraw/zinc/15/35/87/722153587.db2.gz NLJVXSCPFPFPQF-IGKIAQTJSA-N 0 1 473.621 3.815 20 0 JHADMN O=S(=O)(c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1)N1CCCCC1 ZINC001164995932 722207742 /nfs/dbraw/zinc/20/77/42/722207742.db2.gz QAKSGAMXSOAZPW-XMMPIXPASA-N 0 1 458.603 3.640 20 0 JHADMN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996654 722208096 /nfs/dbraw/zinc/20/80/96/722208096.db2.gz UTUJVYXTCXAMJP-RLWLMLJZSA-N 0 1 467.589 3.640 20 0 JHADMN C[C@](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275534 1069313506 /nfs/dbraw/zinc/31/35/06/1069313506.db2.gz WVQIYONMMQAVHK-ZNLUXHQJSA-N 0 1 453.480 3.785 20 0 JHADMN CN1CCN(C[C@@H](NC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)CC1 ZINC001311275793 1069314128 /nfs/dbraw/zinc/31/41/28/1069314128.db2.gz ZUQMKZXOKBHGLV-IFMALSPDSA-N 0 1 452.496 3.891 20 0 JHADMN COC(=O)c1cc2cc(NC(=O)NCCN3CCN(Cc4ccccc4)CC3)ccc2s1 ZINC001311287902 1069317164 /nfs/dbraw/zinc/31/71/64/1069317164.db2.gz GJHDPPMYADOWBP-UHFFFAOYSA-N 0 1 452.580 3.627 20 0 JHADMN CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2nc(C)c(C)s2)CCN1CCOC ZINC001306625659 1069320177 /nfs/dbraw/zinc/32/01/77/1069320177.db2.gz SFCMPTAXRGXMSA-UXHICEINSA-N 0 1 462.664 3.578 20 0 JHADMN CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2c(C)noc2C)CCN1CCOC ZINC001306626453 1069321503 /nfs/dbraw/zinc/32/15/03/1069321503.db2.gz YMTVSQZNIMLGKO-STZQEDGTSA-N 0 1 474.650 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FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743201 720670186 /nfs/dbraw/zinc/67/01/86/720670186.db2.gz WYBWLRAUUZVTMD-ZIAGYGMSSA-N 0 1 467.307 3.613 20 0 JHADMN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737912 720709719 /nfs/dbraw/zinc/70/97/19/720709719.db2.gz HRQGASXEYMPTQT-QWHCGFSZSA-N 0 1 467.307 3.613 20 0 JHADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)[C@H]2C ZINC001164859247 720951708 /nfs/dbraw/zinc/95/17/08/720951708.db2.gz LQKVKZZTJSYUOZ-AWEZNQCLSA-N 0 1 482.963 3.860 20 0 JHADMN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C1 ZINC001164758323 721013189 /nfs/dbraw/zinc/01/31/89/721013189.db2.gz IDZWSQSLWWSSRB-KGPYPHOUSA-N 0 1 497.643 3.677 20 0 JHADMN Fc1ccc2nc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164867362 721083497 /nfs/dbraw/zinc/08/34/97/721083497.db2.gz YERKSYKSUPIQOV-SJORKVTESA-N 0 1 463.891 3.842 20 0 JHADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3C2)cn1 ZINC001164766423 721094348 /nfs/dbraw/zinc/09/43/48/721094348.db2.gz KFRDYNAKVUJXQF-GJZGRUSLSA-N 0 1 450.896 3.659 20 0 JHADMN COc1ccc2nc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164880706 721157703 /nfs/dbraw/zinc/15/77/03/721157703.db2.gz XFEDEBCKLRRHHK-AEFFLSMTSA-N 0 1 475.927 3.711 20 0 JHADMN Clc1nnc(Cl)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1N1CCCCC1 ZINC001164868388 721198191 /nfs/dbraw/zinc/19/81/91/721198191.db2.gz MOLPQAOUJCPJEI-ZWKOTPCHSA-N 0 1 463.413 3.648 20 0 JHADMN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC2)C1 ZINC001164872748 721277393 /nfs/dbraw/zinc/27/73/93/721277393.db2.gz FNVALQQWECACSN-UHFFFAOYSA-N 0 1 494.039 3.957 20 0 JHADMN CCOC(=O)c1c(C)cc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1C ZINC001164782234 721354529 /nfs/dbraw/zinc/35/45/29/721354529.db2.gz LKMMPVHOEXROEB-RUZDIDTESA-N 0 1 456.587 3.599 20 0 JHADMN COC(=O)c1cccc2nc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)ccc21 ZINC001164780701 721370605 /nfs/dbraw/zinc/37/06/05/721370605.db2.gz GOMWBHRUZGRYBU-SANMLTNESA-N 0 1 464.566 3.745 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894129 721391366 /nfs/dbraw/zinc/39/13/66/721391366.db2.gz XUVAUOGZOIPQOP-XMSQKQJNSA-N 0 1 465.976 3.594 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164892399 721402470 /nfs/dbraw/zinc/40/24/70/721402470.db2.gz YACRICZWUGRBSD-HTAPYJJXSA-N 0 1 450.414 3.702 20 0 JHADMN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164894238 721430261 /nfs/dbraw/zinc/43/02/61/721430261.db2.gz KZZSBXARPLUCPB-OXQOHEQNSA-N 0 1 461.022 3.767 20 0 JHADMN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164891327 721434266 /nfs/dbraw/zinc/43/42/66/721434266.db2.gz GIMBDAKFWWYCPL-AWVRMFGXSA-N 0 1 478.685 3.774 20 0 JHADMN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164891333 721434337 /nfs/dbraw/zinc/43/43/37/721434337.db2.gz GIMBDAKFWWYCPL-IWHLBADBSA-N 0 1 478.685 3.774 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5c(Cl)cccc5nc4Cl)C3)O2)CC1 ZINC001164893814 721446742 /nfs/dbraw/zinc/44/67/42/721446742.db2.gz KRJOZUBSBIUWFF-OPAMFIHVSA-N 0 1 450.414 3.702 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164887986 721447686 /nfs/dbraw/zinc/44/76/86/721447686.db2.gz LLJWRBGVSIIJTE-BEFAXECRSA-N 0 1 465.372 3.579 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892038 721451869 /nfs/dbraw/zinc/45/18/69/721451869.db2.gz VXSHAGGGTUIREG-PZJWPPBQSA-N 0 1 454.993 3.620 20 0 JHADMN COC(=O)c1ccc2nc(Cl)c(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900010 721515171 /nfs/dbraw/zinc/51/51/71/721515171.db2.gz NAPGALVHAQPGNN-SJLPKXTDSA-N 0 1 456.905 3.551 20 0 JHADMN Cc1ccc(-c2nc3ccccc3c(N3CCn4cc(CN5CCN(C)CC5)nc4C3)n2)s1 ZINC001164795424 721520097 /nfs/dbraw/zinc/52/00/97/721520097.db2.gz PBBKZFYVNYTHJM-UHFFFAOYSA-N 0 1 459.623 3.631 20 0 JHADMN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909317 721528827 /nfs/dbraw/zinc/52/88/27/721528827.db2.gz RITXNXBZVPSTNQ-AEFFLSMTSA-N 0 1 496.917 3.723 20 0 JHADMN CCOc1cc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OCC ZINC001164809394 721555018 /nfs/dbraw/zinc/55/50/18/721555018.db2.gz WWEMMAWDRVGHSG-OTNCWRBYSA-N 0 1 463.582 3.690 20 0 JHADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2cccc(F)c2)[C@H]2CCCO[C@H]12 ZINC001164800442 721559544 /nfs/dbraw/zinc/55/95/44/721559544.db2.gz FNDHLOVNGCQRKH-GVAUOCQISA-N 0 1 472.568 3.882 20 0 JHADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164809432 721559800 /nfs/dbraw/zinc/55/98/00/721559800.db2.gz XHSVAOBRRYXCJU-GVAUOCQISA-N 0 1 454.578 3.743 20 0 JHADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC001164810573 721560243 /nfs/dbraw/zinc/56/02/43/721560243.db2.gz YYSGOBOWOVFOQK-ISJGIBHGSA-N 0 1 472.568 3.882 20 0 JHADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccc(Cl)nc2)n1 ZINC001164801092 721587917 /nfs/dbraw/zinc/58/79/17/721587917.db2.gz DRTUGKLXLXPDLX-JTAQYXEDSA-N 0 1 450.974 3.764 20 0 JHADMN COc1cccc(CN2C[C@@H]3CCN(C(C)(C)c4ccnc(Cl)c4)CC[C@@H]3S2(=O)=O)c1 ZINC001164802584 721592929 /nfs/dbraw/zinc/59/29/29/721592929.db2.gz GVZJWAALXPWQEP-RXVVDRJESA-N 0 1 464.031 3.905 20 0 JHADMN Cc1cccc(CN2CCO[C@@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC[C@H]3C2=O)n1 ZINC001164798765 721602461 /nfs/dbraw/zinc/60/24/61/721602461.db2.gz IEWLUPPXQPUNJA-IXCJQBJRSA-N 0 1 497.643 3.597 20 0 JHADMN COc1nc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907735 721720303 /nfs/dbraw/zinc/72/03/03/721720303.db2.gz SZLBDEBJALZOFT-GOSISDBHSA-N 0 1 459.875 3.816 20 0 JHADMN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164909744 721725770 /nfs/dbraw/zinc/72/57/70/721725770.db2.gz DIJAFINYEQUKMF-WMZHIEFXSA-N 0 1 493.624 3.681 20 0 JHADMN CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1C(=O)OCC ZINC001164911845 721738050 /nfs/dbraw/zinc/73/80/50/721738050.db2.gz LBDGYUFTMBWTSG-DEOSSOPVSA-N 0 1 488.535 3.568 20 0 JHADMN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCN(C[C@@H]5CCCO5)CC4)c23)C1 ZINC001165039186 721918167 /nfs/dbraw/zinc/91/81/67/721918167.db2.gz RCXAXGYNPWNIFZ-MOPGFXCFSA-N 0 1 455.672 3.713 20 0 JHADMN CCOC(=O)c1cnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)cc1OCC ZINC001164939351 721925754 /nfs/dbraw/zinc/92/57/54/721925754.db2.gz JQMQAUBDGAAKHE-UHFFFAOYSA-N 0 1 453.583 3.837 20 0 JHADMN Cc1ccc(CN2CCOC3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)CC3)C2)cc1 ZINC001164938946 721925867 /nfs/dbraw/zinc/92/58/67/721925867.db2.gz CONPGVXEVDYRPU-UHFFFAOYSA-N 0 1 471.605 3.542 20 0 JHADMN CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1 ZINC001164941025 721926412 /nfs/dbraw/zinc/92/64/12/721926412.db2.gz YZHCCTZAMNSNSH-UHFFFAOYSA-N 0 1 458.990 3.548 20 0 JHADMN CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958122 722052527 /nfs/dbraw/zinc/05/25/27/722052527.db2.gz CSGFNEKACKQIRL-UHFFFAOYSA-N 0 1 458.990 3.734 20 0 JHADMN Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164962909 722055669 /nfs/dbraw/zinc/05/56/69/722055669.db2.gz FSEGUDUGKUBXSB-HXUWFJFHSA-N 0 1 498.031 3.693 20 0 JHADMN Clc1nc2c(Cl)nccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963266 722059225 /nfs/dbraw/zinc/05/92/25/722059225.db2.gz UXSPJJAFQPPZBH-UHFFFAOYSA-N 0 1 459.381 3.846 20 0 JHADMN CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)C1 ZINC001164996651 722208621 /nfs/dbraw/zinc/20/86/21/722208621.db2.gz UTUJVYXTCXAMJP-LVXARBLLSA-N 0 1 467.589 3.640 20 0 JHADMN CCOC(=O)c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1C(=O)OCC ZINC001164996158 722213421 /nfs/dbraw/zinc/21/34/21/722213421.db2.gz MIYDMKNETGKQDY-VWLOTQADSA-N 0 1 455.530 3.819 20 0 JHADMN CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(F)c2)CCN1CCOC ZINC001306630074 1069328694 /nfs/dbraw/zinc/32/86/94/1069328694.db2.gz TVTLKBJZUNIARE-JOCHJYFZSA-N 0 1 472.634 3.758 20 0 JHADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001311343867 1069331264 /nfs/dbraw/zinc/33/12/64/1069331264.db2.gz LOHJLGAVMHRCBE-FXAWDEMLSA-N 0 1 453.505 3.976 20 0 JHADMN CCC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001306631236 1069331595 /nfs/dbraw/zinc/33/15/95/1069331595.db2.gz SJEKKXAVXBWCMM-WPFOTENUSA-N 0 1 471.646 3.670 20 0 JHADMN COc1ccc([C@@H](CNC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)N2CCCC2)cc1 ZINC001311346070 1069332828 /nfs/dbraw/zinc/33/28/28/1069332828.db2.gz OHOGZLRYJRPZQD-ZJSXRUAMSA-N 0 1 450.583 3.527 20 0 JHADMN COc1ccc([C@H](CNC(=O)NCc2cc(C)ccc2Br)N(C)C)cc1OC ZINC001311346831 1069333181 /nfs/dbraw/zinc/33/31/81/1069333181.db2.gz BXXGXOIWHZFKMQ-SFHVURJKSA-N 0 1 450.377 3.877 20 0 JHADMN CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC2CCC(F)(F)CC2)CCN1CCOC ZINC001306632460 1069334546 /nfs/dbraw/zinc/33/45/46/1069334546.db2.gz YMJJNORVJQEVDR-PMACEKPBSA-N 0 1 455.594 3.545 20 0 JHADMN 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1 480.575 3.886 20 0 JHADMN C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001312477659 1069960365 /nfs/dbraw/zinc/96/03/65/1069960365.db2.gz AGDIWQKCBLGKHJ-RGMHLJPOSA-N 0 1 480.575 3.886 20 0 JHADMN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nc(C)n[nH]2)C1(C)C ZINC001314246580 1069962872 /nfs/dbraw/zinc/96/28/72/1069962872.db2.gz VBIVFHSWIMSXPX-RBUKOAKNSA-N 0 1 474.009 3.916 20 0 JHADMN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)[nH]2)C1(C)C ZINC001314246580 1069962886 /nfs/dbraw/zinc/96/28/86/1069962886.db2.gz VBIVFHSWIMSXPX-RBUKOAKNSA-N 0 1 474.009 3.916 20 0 JHADMN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001307412689 1069971713 /nfs/dbraw/zinc/97/17/13/1069971713.db2.gz POXTWMYYFYZXJA-XQNSMLJCSA-N 0 1 458.624 3.760 20 0 JHADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001307416813 1069974141 /nfs/dbraw/zinc/97/41/41/1069974141.db2.gz RARTUNPSVRZGET-WIYYLYMNSA-N 0 1 452.624 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1070054853 /nfs/dbraw/zinc/05/48/53/1070054853.db2.gz KZRKOJSCZFDQDT-UHFFFAOYSA-N 0 1 450.631 3.977 20 0 JHADMN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001307571019 1070057511 /nfs/dbraw/zinc/05/75/11/1070057511.db2.gz BRIVDQKGWDHQMX-FUHWJXTLSA-N 0 1 453.974 3.614 20 0 JHADMN CC(C)(COc1ncccc1Br)NCC(=O)Nc1nc2ccc(F)cc2s1 ZINC001307589379 1070068465 /nfs/dbraw/zinc/06/84/65/1070068465.db2.gz ACWDVRGAPZZTPQ-UHFFFAOYSA-N 0 1 453.337 3.979 20 0 JHADMN CCOCc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001314293454 1070075695 /nfs/dbraw/zinc/07/56/95/1070075695.db2.gz RBSOGKNESYWGKS-LJQANCHMSA-N 0 1 499.610 3.875 20 0 JHADMN O=C(NCC1(c2ccc(Br)s2)CCC1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001312671573 1070073199 /nfs/dbraw/zinc/07/31/99/1070073199.db2.gz IGERBZSSYRDSCW-MRXNPFEDSA-N 0 1 456.450 3.829 20 0 JHADMN COc1cc([C@H](C)NCC(=O)Nc2ccc(Br)cc2Cl)ccc1OCCO ZINC001307622406 1070085498 /nfs/dbraw/zinc/08/54/98/1070085498.db2.gz CXEBDDQTLQTSME-LBPRGKRZSA-N 0 1 457.752 3.772 20 0 JHADMN Cc1ccc(S(=O)(=O)NC[C@@H](NC[C@H]2COC3(CCCCC3)O2)c2ccccc2)c(C)c1 ZINC001307626358 1070087871 /nfs/dbraw/zinc/08/78/71/1070087871.db2.gz JGRBZASXFPCCLB-XZOQPEGZSA-N 0 1 458.624 3.988 20 0 JHADMN CCOCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1Cc1ccc(C)cc1F ZINC001314309911 1070097117 /nfs/dbraw/zinc/09/71/17/1070097117.db2.gz ADIDICXAPUXQML-GBXCKJPGSA-N 0 1 469.609 3.563 20 0 JHADMN COCC1(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)CCCCC1 ZINC001312789119 1070121799 /nfs/dbraw/zinc/12/17/99/1070121799.db2.gz CBLOXUKSFQSNCF-OALUTQOASA-N 0 1 473.511 3.969 20 0 JHADMN Cc1ccc(CNC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)nc1C ZINC001312839528 1070148820 /nfs/dbraw/zinc/14/88/20/1070148820.db2.gz MFGJEMIWWLIFFG-OALUTQOASA-N 0 1 452.452 3.584 20 0 JHADMN CCOCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001314345034 1070149917 /nfs/dbraw/zinc/14/99/17/1070149917.db2.gz FLHUYUQDGCYEDF-GHTZIAJQSA-N 0 1 490.624 3.608 20 0 JHADMN 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CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772795 1070177071 /nfs/dbraw/zinc/17/70/71/1070177071.db2.gz IKLDHQLLNNWNCK-MOPGFXCFSA-N 0 1 459.587 3.771 20 0 JHADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C[C@@H](O)c3cc(Br)no3)C2)C1 ZINC001307796316 1070185372 /nfs/dbraw/zinc/18/53/72/1070185372.db2.gz GFSMFONEWKZBMZ-HRCADAONSA-N 0 1 458.397 3.830 20 0 JHADMN CC(C)(C)OC(=O)N1CCC2(CCN(CCOc3cccc(S(C)(=O)=O)c3)CC2)CC1 ZINC001307826867 1070202767 /nfs/dbraw/zinc/20/27/67/1070202767.db2.gz MAYJNXDCWUKMRQ-UHFFFAOYSA-N 0 1 452.617 3.582 20 0 JHADMN CN(CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)Cc1n[nH]c(=O)o1 ZINC001307864987 1070216307 /nfs/dbraw/zinc/21/63/07/1070216307.db2.gz KOJSQMPZQGUGSE-UHFFFAOYSA-N 0 1 453.499 3.703 20 0 JHADMN O=C(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)NCc1ccc(COc2ccccc2)cc1 ZINC001307870003 1070218051 /nfs/dbraw/zinc/21/80/51/1070218051.db2.gz WVZOHXUHZJUTNI-RUZDIDTESA-N 0 1 457.574 3.520 20 0 JHADMN 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COc1ccccc1[C@](N)(C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)C(F)(F)F ZINC001306472969 1069015853 /nfs/dbraw/zinc/01/58/53/1069015853.db2.gz RXHFKUUMEBHEOQ-QFIPXVFZSA-N 0 1 459.472 3.603 20 0 JHADMN CC/C=C\Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001306478195 1069018720 /nfs/dbraw/zinc/01/87/20/1069018720.db2.gz BBPLRQQYFPEFNN-JUJZYJCFSA-N 0 1 476.666 3.516 20 0 JHADMN O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC001310570827 1069024439 /nfs/dbraw/zinc/02/44/39/1069024439.db2.gz CDVFUAOTKSIZQU-MOPGFXCFSA-N 0 1 473.942 3.583 20 0 JHADMN Cc1ccccc1[C@]1(F)CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)C1 ZINC001310571187 1069025199 /nfs/dbraw/zinc/02/51/99/1069025199.db2.gz IFQHSRICNXFXTJ-QFIPXVFZSA-N 0 1 455.515 3.688 20 0 JHADMN O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC001310589118 1069035001 /nfs/dbraw/zinc/03/50/01/1069035001.db2.gz LUOWAQZLCHZKFB-CVAIRZPRSA-N 0 1 457.443 3.750 20 0 JHADMN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nc(C)n[nH]2)C1 ZINC001306497254 1069046313 /nfs/dbraw/zinc/04/63/13/1069046313.db2.gz COZYDFVNGCHNGB-OAQYLSRUSA-N 0 1 478.645 3.797 20 0 JHADMN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nnc(C)[nH]2)C1 ZINC001306497254 1069046332 /nfs/dbraw/zinc/04/63/32/1069046332.db2.gz COZYDFVNGCHNGB-OAQYLSRUSA-N 0 1 478.645 3.797 20 0 JHADMN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC001310612105 1069055709 /nfs/dbraw/zinc/05/57/09/1069055709.db2.gz KLEIXUIHXCCCCK-HNNXBMFYSA-N 0 1 450.509 3.946 20 0 JHADMN Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001310651910 1069086073 /nfs/dbraw/zinc/08/60/73/1069086073.db2.gz XUGQPNVCQKXMAL-OYRHEFFESA-N 0 1 452.599 3.763 20 0 JHADMN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCSCC2)C1 ZINC001306521292 1069143499 /nfs/dbraw/zinc/14/34/99/1069143499.db2.gz YFUDWDSOYUJLGT-QFIPXVFZSA-N 0 1 484.714 3.689 20 0 JHADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(N3CCOCC3)ccc2Br)n[nH]1 ZINC001310744417 1069146890 /nfs/dbraw/zinc/14/68/90/1069146890.db2.gz WLYPZUJMGVQUHM-OLZOCXBDSA-N 0 1 451.369 3.800 20 0 JHADMN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC001310801726 1069169922 /nfs/dbraw/zinc/16/99/22/1069169922.db2.gz OGMBRURNTRUOON-UHFFFAOYSA-N 0 1 456.572 3.842 20 0 JHADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cc2ccccc2nn1 ZINC001310926352 1069223307 /nfs/dbraw/zinc/22/33/07/1069223307.db2.gz RLRLFNVZVCRSEI-UHFFFAOYSA-N 0 1 458.488 3.982 20 0 JHADMN CCC[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)nc(N2CCCC2)c1 ZINC001306570001 1069237644 /nfs/dbraw/zinc/23/76/44/1069237644.db2.gz VVQSQAFUWFGFBS-NLFFAJNJSA-N 0 1 456.635 3.907 20 0 JHADMN O=C(Nc1cccc(-c2nnsc2Cl)c1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC001311041670 1069256225 /nfs/dbraw/zinc/25/62/25/1069256225.db2.gz FYZSVPLBLHQKSA-MJGOQNOKSA-N 0 1 457.987 3.863 20 0 JHADMN C[C@@H]1COCCN1c1ccc(NC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1Cl ZINC001311057069 1069259808 /nfs/dbraw/zinc/25/98/08/1069259808.db2.gz IQOOBFUFNLRJRR-WWGRRREGSA-N 0 1 462.900 3.628 20 0 JHADMN CCC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1)OC ZINC001306593212 1069263564 /nfs/dbraw/zinc/26/35/64/1069263564.db2.gz OPHWMCXJMSHIQN-HBMCJLEFSA-N 0 1 476.666 3.840 20 0 JHADMN CCCc1nc(C)c(Cn2c(-c3ccccc3C)nnc2N2CCN(CCOC)[C@@H](C)C2)o1 ZINC001306611025 1069287975 /nfs/dbraw/zinc/28/79/75/1069287975.db2.gz ZTNQYYLMGMGAOB-IBGZPJMESA-N 0 1 452.603 3.708 20 0 JHADMN CCC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nc(C)n[nH]2)CCO1 ZINC001306615747 1069296763 /nfs/dbraw/zinc/29/67/63/1069296763.db2.gz HVXZULVEBVRRGX-UYAOXDASSA-N 0 1 453.591 3.709 20 0 JHADMN CCC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)[nH]2)CCO1 ZINC001306615747 1069296768 /nfs/dbraw/zinc/29/67/68/1069296768.db2.gz HVXZULVEBVRRGX-UYAOXDASSA-N 0 1 453.591 3.709 20 0 JHADMN Cc1c(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc(Br)cc1C(F)(F)F ZINC001311232205 1069303820 /nfs/dbraw/zinc/30/38/20/1069303820.db2.gz SOWIUZAPIURGGW-HZPDHXFCSA-N 0 1 450.299 3.839 20 0 JHADMN CCOC(=O)C1CCN(C2CCN(C(Cl)(Cl)Oc3ccc(Cl)nc3)CC2)CC1 ZINC001164617543 719035372 /nfs/dbraw/zinc/03/53/72/719035372.db2.gz LOSXIVWBVBOWJN-UHFFFAOYSA-N 0 1 450.794 3.942 20 0 JHADMN c1ccc(CN2CCc3nc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@@H]54)ccc3C2)cc1 ZINC001164648521 719293006 /nfs/dbraw/zinc/29/30/06/719293006.db2.gz UUADFEVKWPXORV-REUBFRLUSA-N 0 1 456.590 3.988 20 0 JHADMN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3C[C@H]4OCCN(C)[C@H]4C3)c2c1C ZINC001164673685 719441891 /nfs/dbraw/zinc/44/18/91/719441891.db2.gz TXDGMLXPVZTACC-ZWKOTPCHSA-N 0 1 484.647 3.988 20 0 JHADMN Cc1nc(CN2CCCC23CCN(c2cc(-c4cc5c([nH]4)CCNC5=O)ccn2)CC3)cs1 ZINC001164692746 719808051 /nfs/dbraw/zinc/80/80/51/719808051.db2.gz MBAANZGBZIWUQH-UHFFFAOYSA-N 0 1 462.623 3.763 20 0 JHADMN C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc2)C1 ZINC001164698441 719897882 /nfs/dbraw/zinc/89/78/82/719897882.db2.gz SVPLODLIAUNRQX-FQEVSTJZSA-N 0 1 454.640 3.887 20 0 JHADMN c1csc(CN2CCOC3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC3)C2)c1 ZINC001164707017 719901426 /nfs/dbraw/zinc/90/14/26/719901426.db2.gz MKYGAIQZFITEOL-UHFFFAOYSA-N 0 1 490.677 3.736 20 0 JHADMN CS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cnc1Cl ZINC001164705948 719909028 /nfs/dbraw/zinc/90/90/28/719909028.db2.gz GIOIHQGMTPKDTR-UHFFFAOYSA-N 0 1 492.013 3.616 20 0 JHADMN Clc1ccccc1Oc1nc(Cl)ncc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164747827 720802694 /nfs/dbraw/zinc/80/26/94/720802694.db2.gz POOVEXHWXMXLBV-LSDHHAIUSA-N 0 1 459.337 3.708 20 0 JHADMN COc1ccc(Cn2cc3[nH]c(N4CCn5c(CN(C)C(C)C)cnc5[C@H]4C)ccc-3c2=O)cc1 ZINC001164864116 720997404 /nfs/dbraw/zinc/99/74/04/720997404.db2.gz XNPBEHRIYCMKEH-LJQANCHMSA-N 0 1 474.609 3.864 20 0 JHADMN Fc1ccccc1Oc1nc(Cl)ncc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880959 721184318 /nfs/dbraw/zinc/18/43/18/721184318.db2.gz YIJIKGZJBWPSEV-MSOLQXFVSA-N 0 1 455.921 3.936 20 0 JHADMN CN(C)C(=O)CN1CCOCC2(CCN(c3c(Cl)ccc4ccc(Cl)nc43)CC2)C1 ZINC001164879169 721290801 /nfs/dbraw/zinc/29/08/01/721290801.db2.gz VXTYFNRWNYAUPG-UHFFFAOYSA-N 0 1 451.398 3.549 20 0 JHADMN CN(C)C(=O)CN1CCOCC2(CCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC2)C1 ZINC001164875909 721291531 /nfs/dbraw/zinc/29/15/31/721291531.db2.gz HXQVKTXGKNQSFU-UHFFFAOYSA-N 0 1 496.414 3.597 20 0 JHADMN COC(=O)c1cc2c(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)[nH]c(Cl)cc-2n1 ZINC001164782251 721360857 /nfs/dbraw/zinc/36/08/57/721360857.db2.gz LPZQIIMBENTYEN-DEOSSOPVSA-N 0 1 487.988 3.727 20 0 JHADMN COc1cc2nc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)ccc2c(OC)c1 ZINC001164780199 721373041 /nfs/dbraw/zinc/37/30/41/721373041.db2.gz FPGPOJACYITYFO-SANMLTNESA-N 0 1 466.582 3.976 20 0 JHADMN C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@]5(C4)CCC[C@H](CN4CCN(C)CC4)O5)c32)C1 ZINC001164886143 721409631 /nfs/dbraw/zinc/40/96/31/721409631.db2.gz HVHQOUIBLKBXDM-MPCDZSKCSA-N 0 1 455.672 3.582 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164883512 721411350 /nfs/dbraw/zinc/41/13/50/721411350.db2.gz AKOLSJORQHFIMO-KSFYIVLOSA-N 0 1 450.414 3.702 20 0 JHADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)O2)CC1 ZINC001164899863 721439839 /nfs/dbraw/zinc/43/98/39/721439839.db2.gz ZKPNEBOAGWFTCO-MBSDFSHPSA-N 0 1 493.002 3.502 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)nc5sccc54)C3)O2)CC1 ZINC001164897565 721444879 /nfs/dbraw/zinc/44/48/79/721444879.db2.gz UFEJGGXPJGLRFH-CJFMBICVSA-N 0 1 464.639 3.519 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5sccc54)C3)O2)CC1 ZINC001164889619 721444914 /nfs/dbraw/zinc/44/49/14/721444914.db2.gz CJASXYHSXUOMJU-CLOONOSVSA-N 0 1 464.639 3.519 20 0 JHADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)O2)CC1 ZINC001164892036 721451988 /nfs/dbraw/zinc/45/19/88/721451988.db2.gz VXSHAGGGTUIREG-CTNGQTDRSA-N 0 1 454.993 3.620 20 0 JHADMN CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)c1CN1CC[C@H](CO)C1 ZINC001164900369 721498505 /nfs/dbraw/zinc/49/85/05/721498505.db2.gz OJBVZEIXJFHNIL-FUCAVZNHSA-N 0 1 484.685 3.912 20 0 JHADMN COC(=O)c1ccc2nc(Cl)c(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900009 721515188 /nfs/dbraw/zinc/51/51/88/721515188.db2.gz NAPGALVHAQPGNN-FUHWJXTLSA-N 0 1 456.905 3.551 20 0 JHADMN CN1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccc4)nc4ccc(Cl)cc42)CC3)CC1 ZINC001164797736 721515420 /nfs/dbraw/zinc/51/54/20/721515420.db2.gz MCCKEQRQUGFARI-UHFFFAOYSA-N 0 1 474.012 3.914 20 0 JHADMN CN1CCN(Cc2cn3c(n2)CN(c2ncnc4scc(-c5ccc(Cl)cc5)c42)CC3)CC1 ZINC001164797787 721518378 /nfs/dbraw/zinc/51/83/78/721518378.db2.gz NHKUUDZZENHCOY-UHFFFAOYSA-N 0 1 480.041 3.976 20 0 JHADMN Cc1ccc(-c2nnc(N3CCn4cc(CN5CCN(C)CC5)nc4C3)c3ccccc32)cc1C ZINC001164798395 721518954 /nfs/dbraw/zinc/51/89/54/721518954.db2.gz TYSBTBVTZQGYHR-UHFFFAOYSA-N 0 1 467.621 3.878 20 0 JHADMN 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FXTAXFYORHCLNV-IBGZPJMESA-N 0 1 450.543 3.901 20 0 JHADMN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC001312446696 1069943332 /nfs/dbraw/zinc/94/33/32/1069943332.db2.gz VOGJAUHKGGSDCD-OALUTQOASA-N 0 1 454.575 3.760 20 0 JHADMN CCO[C@@H]1C[C@H](N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2nc(C)n[nH]2)C1(C)C ZINC001314245261 1069959120 /nfs/dbraw/zinc/95/91/20/1069959120.db2.gz GHYVJASEENSPKT-RYGJVYDSSA-N 0 1 471.581 3.866 20 0 JHADMN CCO[C@@H]1C[C@H](N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2nnc(C)[nH]2)C1(C)C ZINC001314245261 1069959135 /nfs/dbraw/zinc/95/91/35/1069959135.db2.gz GHYVJASEENSPKT-RYGJVYDSSA-N 0 1 471.581 3.866 20 0 JHADMN CCc1cc2c(ccn(CC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)c2=O)s1 ZINC001307373512 1069964389 /nfs/dbraw/zinc/96/43/89/1069964389.db2.gz GHMBMZIAVRGVNG-QFIPXVFZSA-N 0 1 453.608 3.977 20 0 JHADMN CCOC(=O)c1ccc(N2CCN(CCCc3nc(-c4ccc(C)c(F)c4)no3)CC2)nc1 ZINC001307414998 1069973297 /nfs/dbraw/zinc/97/32/97/1069973297.db2.gz KEULWQBBWJJBGX-UHFFFAOYSA-N 0 1 453.518 3.511 20 0 JHADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(CCCOCC(F)(F)F)CC1 ZINC001307428653 1069980688 /nfs/dbraw/zinc/98/06/88/1069980688.db2.gz BCVHVZBVGZCGIX-HNNXBMFYSA-N 0 1 451.917 3.571 20 0 JHADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC(NC(=O)c3ccsc3)CC2)[C@@H](O)c2ccccc21 ZINC001307429352 1069981284 /nfs/dbraw/zinc/98/12/84/1069981284.db2.gz WDOJNHAIUWRPAZ-SFTDATJTSA-N 0 1 457.596 3.800 20 0 JHADMN Cc1cccc(C)c1OC[C@H](O)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001312553368 1070009779 /nfs/dbraw/zinc/00/97/79/1070009779.db2.gz SLXPATSNBZNEOK-UXHICEINSA-N 0 1 453.505 3.664 20 0 JHADMN CCO[C@@H]1C[C@H](O)C12CCN([C@@H]1CCCN(c3ccc(Br)c(C)c3)C1=O)CC2 ZINC001307490258 1070014990 /nfs/dbraw/zinc/01/49/90/1070014990.db2.gz MOMDHMPOPUSWGK-HSALFYBXSA-N 0 1 451.405 3.505 20 0 JHADMN CCOC(=O)C1C(CN(C)[C@H](CCO)c2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307505623 1070023199 /nfs/dbraw/zinc/02/31/99/1070023199.db2.gz IQRKDBFDYGLEPA-IRLDBZIGSA-N 0 1 457.958 3.567 20 0 JHADMN CCO[C@@H](C)c1nc(CN2CCN(CCC(=O)NCc3ccccc3Cl)CC2)cs1 ZINC001307507592 1070024454 /nfs/dbraw/zinc/02/44/54/1070024454.db2.gz XTOKOIGSNIBNFS-KRWDZBQOSA-N 0 1 451.036 3.718 20 0 JHADMN CCO[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2Cl)N(C)C)C1 ZINC001314271066 1070025917 /nfs/dbraw/zinc/02/59/17/1070025917.db2.gz DBHOPOSTWHHZFY-WIYYLYMNSA-N 0 1 458.010 3.640 20 0 JHADMN CCO[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)N(C)C)C1 ZINC001314272287 1070027444 /nfs/dbraw/zinc/02/74/44/1070027444.db2.gz TXMFIUMVRLVRSI-FPOVZHCZSA-N 0 1 469.586 3.864 20 0 JHADMN COc1cc(C)c([C@H](C)NC(=O)CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1OC ZINC001307522353 1070031833 /nfs/dbraw/zinc/03/18/33/1070031833.db2.gz UJRGUCJZEKZGQG-KRWDZBQOSA-N 0 1 451.608 3.672 20 0 JHADMN CCO[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 ZINC001314276671 1070035346 /nfs/dbraw/zinc/03/53/46/1070035346.db2.gz RJRDZBVTJOWSDP-ZEQRLZLVSA-N 0 1 455.647 3.539 20 0 JHADMN COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC001307530142 1070037789 /nfs/dbraw/zinc/03/77/89/1070037789.db2.gz AJFWLECCLOJEET-KRWDZBQOSA-N 0 1 457.546 3.541 20 0 JHADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@H]3CCc4cc(O)ccc4C3)CC2)c1C ZINC001312610891 1070043643 /nfs/dbraw/zinc/04/36/43/1070043643.db2.gz ZPGANNNNSIJKQF-NRFANRHFSA-N 0 1 452.599 3.576 20 0 JHADMN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001307549396 1070047727 /nfs/dbraw/zinc/04/77/27/1070047727.db2.gz AQQQXXIUONTMGT-GOSISDBHSA-N 0 1 450.023 3.727 20 0 JHADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]2CCCC[C@H]12 ZINC001307572661 1070058929 /nfs/dbraw/zinc/05/89/29/1070058929.db2.gz BBTDCDOTEDNRFC-IQUZMVKNSA-N 0 1 456.052 3.671 20 0 JHADMN CCOCc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001314293393 1070075043 /nfs/dbraw/zinc/07/50/43/1070075043.db2.gz OIQLTCQELXUHEB-GOSISDBHSA-N 0 1 454.644 3.749 20 0 JHADMN C[C@H](NCC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001307621082 1070084322 /nfs/dbraw/zinc/08/43/22/1070084322.db2.gz ORBPLATWPNFLRQ-KRWDZBQOSA-N 0 1 456.539 3.989 20 0 JHADMN CCOCc1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001314301323 1070085321 /nfs/dbraw/zinc/08/53/21/1070085321.db2.gz SLEHQXZPHVRZQK-KDURUIRLSA-N 0 1 454.619 3.820 20 0 JHADMN Cc1ccc(S(=O)(=O)NC[C@H](NC[C@@H]2COC3(CCCCC3)O2)c2ccccc2)c(C)c1 ZINC001307626357 1070087580 /nfs/dbraw/zinc/08/75/80/1070087580.db2.gz JGRBZASXFPCCLB-PKTZIBPZSA-N 0 1 458.624 3.988 20 0 JHADMN COC(=O)CCN1CCN(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC001307630436 1070089441 /nfs/dbraw/zinc/08/94/41/1070089441.db2.gz UDLUXCLEJPDARQ-HNNXBMFYSA-N 0 1 450.992 3.550 20 0 JHADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001307637813 1070093898 /nfs/dbraw/zinc/09/38/98/1070093898.db2.gz UUDCYLFSAZWCDL-QGZVFWFLSA-N 0 1 458.868 3.948 20 0 JHADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC001307639049 1070094610 /nfs/dbraw/zinc/09/46/10/1070094610.db2.gz XDEAVADMPLFTHR-HRAATJIYSA-N 0 1 450.004 3.827 20 0 JHADMN Cc1c([C@H](C)NCC(=O)Nc2ccccc2C(=O)NCC(C)C)cnn1-c1ccc(F)cc1 ZINC001307641118 1070097173 /nfs/dbraw/zinc/09/71/73/1070097173.db2.gz DOXAMFQDHXWLQX-KRWDZBQOSA-N 0 1 451.546 3.995 20 0 JHADMN O=C(Nc1ccccc1O)C1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307652434 1070102600 /nfs/dbraw/zinc/10/26/00/1070102600.db2.gz VQIACSLRKKHJMI-IBGZPJMESA-N 0 1 458.356 3.759 20 0 JHADMN C[C@@H](NC(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC001312769999 1070113703 /nfs/dbraw/zinc/11/37/03/1070113703.db2.gz YKYJVRIQBIUYLU-HXUWFJFHSA-N 0 1 458.603 3.628 20 0 JHADMN COc1ccc([C@@H](CNC(=O)CN[C@@](C)(CO)c2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC001307691052 1070128350 /nfs/dbraw/zinc/12/83/50/1070128350.db2.gz BEHDXWQDIPRKIO-YWEHKCAJSA-N 0 1 457.574 3.922 20 0 JHADMN CC[C@@H](CN(CC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccccc1 ZINC001307702348 1070135770 /nfs/dbraw/zinc/13/57/70/1070135770.db2.gz INRBOQBHIFZRKO-IBGZPJMESA-N 0 1 456.612 3.611 20 0 JHADMN Cc1cc(C2CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)ccc1Br ZINC001307703915 1070136071 /nfs/dbraw/zinc/13/60/71/1070136071.db2.gz CEVHQHUETOHFLG-LBPRGKRZSA-N 0 1 450.299 3.714 20 0 JHADMN CC(=O)N(c1nc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cs1)c1cccc(C(F)(F)F)c1 ZINC001307705080 1070136901 /nfs/dbraw/zinc/13/69/01/1070136901.db2.gz OZSOIVHTQFAELG-LSDHHAIUSA-N 0 1 456.534 3.733 20 0 JHADMN CCOC(=O)[C@]1(COC)CCCN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC001307712438 1070139487 /nfs/dbraw/zinc/13/94/87/1070139487.db2.gz KSKGISCSHULAPJ-AZGAKELHSA-N 0 1 456.558 3.665 20 0 JHADMN COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC001307731752 1070154855 /nfs/dbraw/zinc/15/48/55/1070154855.db2.gz MHLMLWIBHYYCRU-HXUWFJFHSA-N 0 1 455.521 3.529 20 0 JHADMN C[C@@](O)(C[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(Br)cc1Cl ZINC001307733846 1070156728 /nfs/dbraw/zinc/15/67/28/1070156728.db2.gz XZHSEEHJYYUOSJ-MRXNPFEDSA-N 0 1 457.718 3.701 20 0 JHADMN C[C@H](NCC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001307744590 1070162713 /nfs/dbraw/zinc/16/27/13/1070162713.db2.gz BZWJALUAUCQHHG-ROUUACIJSA-N 0 1 450.514 3.657 20 0 JHADMN COCC[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc(C(F)(F)F)c1 ZINC001307769871 1070176159 /nfs/dbraw/zinc/17/61/59/1070176159.db2.gz KJDCUUMKDMILAJ-HNNXBMFYSA-N 0 1 455.502 3.660 20 0 JHADMN CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307772798 1070177179 /nfs/dbraw/zinc/17/71/79/1070177179.db2.gz IKLDHQLLNNWNCK-RTBURBONSA-N 0 1 459.587 3.771 20 0 JHADMN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC001312932461 1070186346 /nfs/dbraw/zinc/18/63/46/1070186346.db2.gz SOTIQJATOJKPRO-GOSISDBHSA-N 0 1 455.521 3.761 20 0 JHADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001307805537 1070191459 /nfs/dbraw/zinc/19/14/59/1070191459.db2.gz XGWCJMZMKQFAME-GHTZIAJQSA-N 0 1 452.617 3.580 20 0 JHADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001307805537 1070191460 /nfs/dbraw/zinc/19/14/60/1070191460.db2.gz XGWCJMZMKQFAME-GHTZIAJQSA-N 0 1 452.617 3.580 20 0 JHADMN C[C@H](NC(=O)CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001307810271 1070193403 /nfs/dbraw/zinc/19/34/03/1070193403.db2.gz ASZHSDQWHABYQP-KSFYIVLOSA-N 0 1 454.464 3.829 20 0 JHADMN COc1ccc(CN2CCN(C(=O)CN(C)[C@H]3C[C@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820520 1070200155 /nfs/dbraw/zinc/20/01/55/1070200155.db2.gz LCTPANHOLJYIMN-DQEYMECFSA-N 0 1 451.611 3.517 20 0 JHADMN COc1ccc(CN2CCN(C(=O)CN(C)[C@@H]3C[C@@H](Oc4ccccc4)C3(C)C)CC2)cc1 ZINC001307820521 1070200444 /nfs/dbraw/zinc/20/04/44/1070200444.db2.gz LCTPANHOLJYIMN-JWQCQUIFSA-N 0 1 451.611 3.517 20 0 JHADMN 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