smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cc1ccccc1 ZINC000009882528 195010764 /nfs/dbraw/zinc/01/07/64/195010764.db2.gz NUZIYHYRJIOVNM-UHFFFAOYSA-N 1 1 471.557 4.295 50 0 JIAAMO COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012773313 195119320 /nfs/dbraw/zinc/11/93/20/195119320.db2.gz HWQDMLZXHBPGOK-UHFFFAOYSA-N 1 1 475.614 4.384 50 0 JIAAMO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012781583 195124794 /nfs/dbraw/zinc/12/47/94/195124794.db2.gz YAVRWLZVYQOMQG-HXUWFJFHSA-N 1 1 473.495 4.455 50 0 JIAAMO Cc1ccc2nc(-c3ccc(NC(=O)C4CC[NH+]([C@H]5CCS(=O)(=O)C5)CC4)cc3)sc2c1 ZINC000012793429 195134034 /nfs/dbraw/zinc/13/40/34/195134034.db2.gz FEBMQDNFTIUASQ-FQEVSTJZSA-N 1 1 469.632 4.109 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cc1 ZINC000012803246 195140580 /nfs/dbraw/zinc/14/05/80/195140580.db2.gz MGGVQENDGYBSJS-QHCPKHFHSA-N 1 1 463.603 4.109 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000012873843 195164859 /nfs/dbraw/zinc/16/48/59/195164859.db2.gz NAQCHPCOUGKPGN-RUZDIDTESA-N 1 1 499.658 4.249 50 0 JIAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@H](CC(C)C)[NH+]4CCOCC4)cc3)ccc12 ZINC000012864245 195160892 /nfs/dbraw/zinc/16/08/92/195160892.db2.gz JGYRTGSFNGBXCX-QHCPKHFHSA-N 1 1 478.589 4.157 50 0 JIAAMO Cc1coc2c1cc1c(C)c(CCC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(=O)oc1c2C ZINC000020621809 195190357 /nfs/dbraw/zinc/19/03/57/195190357.db2.gz WVSGZJINXCDOLK-UHFFFAOYSA-N 1 1 473.573 4.179 50 0 JIAAMO C[N@@H+](CCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)CCc1ccccc1 ZINC000020726608 195207953 /nfs/dbraw/zinc/20/79/53/195207953.db2.gz OIABOPKHJVQREU-QOMWVZHYSA-N 1 1 471.626 4.457 50 0 JIAAMO Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[NH+](CCc5ccncc5)CC4)c(C)c3cc2c1C ZINC000020759920 195217246 /nfs/dbraw/zinc/21/72/46/195217246.db2.gz BHJRVBQQSBVLEA-UHFFFAOYSA-N 1 1 473.573 4.179 50 0 biogenic JIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1cccc(F)c1 ZINC000020914137 195246121 /nfs/dbraw/zinc/24/61/21/195246121.db2.gz YTRVWHCESINSFE-GBXCKJPGSA-N 1 1 459.993 4.421 50 0 JIAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)Nc1cccc(F)c1 ZINC000020914137 195246124 /nfs/dbraw/zinc/24/61/24/195246124.db2.gz YTRVWHCESINSFE-GBXCKJPGSA-N 1 1 459.993 4.421 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000020917116 195246708 /nfs/dbraw/zinc/24/67/08/195246708.db2.gz DPNQGFUWMUDLQZ-UHFFFAOYSA-N 1 1 471.601 4.127 50 0 JIAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)CCO1 ZINC000057997135 195361568 /nfs/dbraw/zinc/36/15/68/195361568.db2.gz OYVKKEAZBPFANL-HXUWFJFHSA-N 1 1 458.562 4.481 50 0 JIAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)CCO1 ZINC000057997135 195361571 /nfs/dbraw/zinc/36/15/71/195361571.db2.gz OYVKKEAZBPFANL-HXUWFJFHSA-N 1 1 458.562 4.481 50 0 JIAAMO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000058085831 195364415 /nfs/dbraw/zinc/36/44/15/195364415.db2.gz HTDOEWUNEUJYTI-VXKWHMMOSA-N 1 1 468.450 4.405 50 0 JIAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000022699027 519713465 /nfs/dbraw/zinc/71/34/65/519713465.db2.gz JHYOGWLYCMKRPW-UHFFFAOYSA-N 1 1 492.711 4.465 50 0 JIAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000022699027 519713467 /nfs/dbraw/zinc/71/34/67/519713467.db2.gz JHYOGWLYCMKRPW-UHFFFAOYSA-N 1 1 492.711 4.465 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036306340 519880696 /nfs/dbraw/zinc/88/06/96/519880696.db2.gz YXTPPNKCVNKEPY-QHCPKHFHSA-N 1 1 495.620 4.340 50 0 JIAAMO CCCC[N@@H+](C)CC1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000048263604 520400918 /nfs/dbraw/zinc/40/09/18/520400918.db2.gz FJCHTGHJCGXEON-UHFFFAOYSA-N 1 1 471.715 4.351 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(NC(C)=O)s2)CCO3)C1 ZINC000014955376 520527523 /nfs/dbraw/zinc/52/75/23/520527523.db2.gz AMVOWMNDMFYAKE-JOCHJYFZSA-N 1 1 498.693 4.182 50 0 JIAAMO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014748261 520680533 /nfs/dbraw/zinc/68/05/33/520680533.db2.gz GDQQNOROPYQYCA-BJKOFHAPSA-N 1 1 493.648 4.186 50 0 JIAAMO COC(=O)c1c(OCc2ccsc2)cc(=O)n2c1CC[N@H+](Cc1ccc(SC)cc1)CC2 ZINC000014993207 521785118 /nfs/dbraw/zinc/78/51/18/521785118.db2.gz WNNDPWMPLHQYKR-UHFFFAOYSA-N 1 1 470.616 4.056 50 0 JIAAMO COC(=O)c1c(OCc2ccsc2)cc(=O)n2c1CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000014993207 521785130 /nfs/dbraw/zinc/78/51/30/521785130.db2.gz WNNDPWMPLHQYKR-UHFFFAOYSA-N 1 1 470.616 4.056 50 0 JIAAMO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000036309253 522400881 /nfs/dbraw/zinc/40/08/81/522400881.db2.gz DIYPUTZVJLJPAR-WIOPSUGQSA-N 1 1 486.678 4.096 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@@H]34)C(C)=O)CCCCC2)cc(OC)c1 ZINC000033435680 522646259 /nfs/dbraw/zinc/64/62/59/522646259.db2.gz WREUVRAFUVFBKL-BWKNWUBXSA-N 1 1 471.642 4.458 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C(C)=O)CCCC2)cc(OC)c1 ZINC000043883955 522647397 /nfs/dbraw/zinc/64/73/97/522647397.db2.gz XWUPNWHVGPCUMK-GBXCKJPGSA-N 1 1 457.615 4.068 50 0 JIAAMO C[N@@H+](CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021810721 522822481 /nfs/dbraw/zinc/82/24/81/522822481.db2.gz NTRVUBOPTWRMII-SANMLTNESA-N 1 1 454.615 4.162 50 0 JIAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1 ZINC000036206290 523173160 /nfs/dbraw/zinc/17/31/60/523173160.db2.gz VHQQDZLOIBKMMF-HXUWFJFHSA-N 1 1 463.603 4.474 50 0 JIAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1 ZINC000036206290 523173168 /nfs/dbraw/zinc/17/31/68/523173168.db2.gz VHQQDZLOIBKMMF-HXUWFJFHSA-N 1 1 463.603 4.474 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)n2)cc1OC ZINC000021880536 523287902 /nfs/dbraw/zinc/28/79/02/523287902.db2.gz QTNLFCCLWJSFKO-UHFFFAOYSA-N 1 1 474.920 4.397 50 0 JIAAMO CC[C@@H]1C[N@@H+](CCC(=O)NCc2csc(-c3ccccc3)n2)Cc2cc(OC)ccc2O1 ZINC000014961930 523439633 /nfs/dbraw/zinc/43/96/33/523439633.db2.gz XKLZFNYNIZFAGB-OAQYLSRUSA-N 1 1 451.592 4.498 50 0 JIAAMO COCC[N@@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1c(F)cccc1Cl ZINC000014881841 523623598 /nfs/dbraw/zinc/62/35/98/523623598.db2.gz FXASIXOAHRENJO-UHFFFAOYSA-N 1 1 465.934 4.206 50 0 JIAAMO CCc1c(C(=O)NCc2nc(-c3ccccc3)cs2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000014980461 523698463 /nfs/dbraw/zinc/69/84/63/523698463.db2.gz ZJPOYANSUVQOGC-FQEVSTJZSA-N 1 1 464.635 4.257 50 0 JIAAMO COc1ccc(C(=O)N[C@@H](c2nnc3n2CC[N@H+](Cc2ccc(C)c(C)c2)CC3)C(C)C)cc1 ZINC000014887126 523724764 /nfs/dbraw/zinc/72/47/64/523724764.db2.gz OPYZIHFSCOBSMT-RUZDIDTESA-N 1 1 461.610 4.089 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036305329 523734945 /nfs/dbraw/zinc/73/49/45/523734945.db2.gz CUGAAHKPOJHEAT-QFIPXVFZSA-N 1 1 483.609 4.122 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000036306304 523735326 /nfs/dbraw/zinc/73/53/26/523735326.db2.gz FWBZOGLDDKIEAA-HSZRJFAPSA-N 1 1 467.610 4.422 50 0 JIAAMO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)s1 ZINC000033078377 523849010 /nfs/dbraw/zinc/84/90/10/523849010.db2.gz RBTFTSAHYULLGW-OAQYLSRUSA-N 1 1 463.651 4.035 50 0 JIAAMO C[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3[C@@H]2c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000019920752 523874473 /nfs/dbraw/zinc/87/44/73/523874473.db2.gz MPQJBOAEURRHGN-MUUNZHRXSA-N 1 1 464.569 4.154 50 0 JIAAMO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCN(C)CC4)c3)C2)cc1 ZINC000033035612 523979273 /nfs/dbraw/zinc/97/92/73/523979273.db2.gz TWWAEBKPHKFLSB-AREMUKBSSA-N 1 1 491.680 4.028 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(=O)n(-c2ccc(Cl)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000958 524113181 /nfs/dbraw/zinc/11/31/81/524113181.db2.gz OZXZYBFBVZJDRP-QGZVFWFLSA-N 1 1 470.013 4.250 50 0 JIAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CCC(C)C)C[C@H](O)COC(C)C)nc(=O)c12 ZINC000036206592 524276584 /nfs/dbraw/zinc/27/65/84/524276584.db2.gz VEPULTYLPYJJQP-SFHVURJKSA-N 1 1 473.639 4.294 50 0 JIAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CCC(C)C)C[C@H](O)COC(C)C)nc(=O)c12 ZINC000036206592 524276594 /nfs/dbraw/zinc/27/65/94/524276594.db2.gz VEPULTYLPYJJQP-SFHVURJKSA-N 1 1 473.639 4.294 50 0 JIAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c(C)c1 ZINC000036064041 524415339 /nfs/dbraw/zinc/41/53/39/524415339.db2.gz SHYKBJZGIIOGGS-UHFFFAOYSA-N 1 1 472.589 4.490 50 0 JIAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c(C)c1 ZINC000036064041 524415346 /nfs/dbraw/zinc/41/53/46/524415346.db2.gz SHYKBJZGIIOGGS-UHFFFAOYSA-N 1 1 472.589 4.490 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c(=O)c2C1 ZINC000033331795 524454079 /nfs/dbraw/zinc/45/40/79/524454079.db2.gz ANEQLTSZJFBXJY-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c(=O)c2C1 ZINC000033331795 524454088 /nfs/dbraw/zinc/45/40/88/524454088.db2.gz ANEQLTSZJFBXJY-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014994603 524973044 /nfs/dbraw/zinc/97/30/44/524973044.db2.gz TZESDQUYTRUWSW-QFIPXVFZSA-N 1 1 481.600 4.260 50 0 JIAAMO Cc1cc(N2CCC(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275053 525051721 /nfs/dbraw/zinc/05/17/21/525051721.db2.gz AWZUINHQRXYKSB-HXUWFJFHSA-N 1 1 478.616 4.051 50 0 JIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@H](O)COC(C)C)cc1 ZINC000036309093 525433785 /nfs/dbraw/zinc/43/37/85/525433785.db2.gz JHTRXDIXZHKHOX-WIOPSUGQSA-N 1 1 488.694 4.305 50 0 JIAAMO COc1ccc([S@@](=O)Cc2ccc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000020515025 525475592 /nfs/dbraw/zinc/47/55/92/525475592.db2.gz MROQUJIDNXEZSF-UUWRZZSWSA-N 1 1 480.630 4.281 50 0 JIAAMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000022800462 525758392 /nfs/dbraw/zinc/75/83/92/525758392.db2.gz YIXTXYBZXNVNDF-JOCHJYFZSA-N 1 1 460.603 4.123 50 0 JIAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccc(CC(C)C)cc2)CC3)c1 ZINC000014881792 525829303 /nfs/dbraw/zinc/82/93/03/525829303.db2.gz WNSIZSXQVAHBGV-HXUWFJFHSA-N 1 1 461.610 4.035 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000036147061 525923076 /nfs/dbraw/zinc/92/30/76/525923076.db2.gz VPLMZDWUGMYPLQ-NZQKXSOJSA-N 1 1 468.525 4.000 50 0 JIAAMO Fc1ccc(-n2c(C[NH+]3CCCCC3)nn(CN3CCN(c4ccccc4F)CC3)c2=S)cc1 ZINC000016834502 526319257 /nfs/dbraw/zinc/31/92/57/526319257.db2.gz IGEGRRPMEDEDMY-UHFFFAOYSA-N 1 1 484.620 4.447 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1)Nc1ccc(F)cc1 ZINC000038581049 526725767 /nfs/dbraw/zinc/72/57/67/526725767.db2.gz LQMMNXBXEVLGKC-UHFFFAOYSA-N 1 1 475.564 4.372 50 0 JIAAMO O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000046668169 527236104 /nfs/dbraw/zinc/23/61/04/527236104.db2.gz PONSUNXDGKZPRV-UHFFFAOYSA-N 1 1 482.628 4.312 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CCCC2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014754052 527272748 /nfs/dbraw/zinc/27/27/48/527272748.db2.gz JTTKXFZUMYJCSF-XZOQPEGZSA-N 1 1 461.606 4.017 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000008604435 527667278 /nfs/dbraw/zinc/66/72/78/527667278.db2.gz QYAYPRNHYJPSRG-UHFFFAOYSA-N 1 1 451.567 4.389 50 0 JIAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccc3c(c2)OCCO3)CC1 ZINC000096277975 535619096 /nfs/dbraw/zinc/61/90/96/535619096.db2.gz OLMHXKCGCRPVQZ-IBGZPJMESA-N 1 1 453.970 4.279 50 0 JIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002231588 554105664 /nfs/dbraw/zinc/10/56/64/554105664.db2.gz ZCPXEGOKYXYPQK-JWQCQUIFSA-N 1 1 466.497 4.286 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000008876910 554772062 /nfs/dbraw/zinc/77/20/62/554772062.db2.gz FNTUZDZZNKRCDD-HXUWFJFHSA-N 1 1 467.031 4.432 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009076656 554888160 /nfs/dbraw/zinc/88/81/60/554888160.db2.gz ZWVOOVZJKJWXRR-XMMPIXPASA-N 1 1 499.567 4.233 50 0 JIAAMO CCOC(=O)c1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)c1 ZINC000009151114 554937111 /nfs/dbraw/zinc/93/71/11/554937111.db2.gz IOORAOJRJZQFOX-UHFFFAOYSA-N 1 1 452.580 4.415 50 0 JIAAMO COc1cccc(CNCc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1OC ZINC000009265762 555041601 /nfs/dbraw/zinc/04/16/01/555041601.db2.gz PCDRALKROWEDFK-UHFFFAOYSA-N 1 1 496.681 4.091 50 0 JIAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000009269269 555044145 /nfs/dbraw/zinc/04/41/45/555044145.db2.gz RRTFRFBTBVSFGZ-OAQYLSRUSA-N 1 1 469.607 4.076 50 0 JIAAMO CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009309631 555085014 /nfs/dbraw/zinc/08/50/14/555085014.db2.gz PRZJRQGKRSDGEK-RPBOFIJWSA-N 1 1 453.502 4.293 50 0 JIAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)CC2)cc1 ZINC000009319639 555094314 /nfs/dbraw/zinc/09/43/14/555094314.db2.gz KCZHHLPTJRCECG-UHFFFAOYSA-N 1 1 477.630 4.452 50 0 JIAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c2cc(C)ccc2O1 ZINC000009406085 555165737 /nfs/dbraw/zinc/16/57/37/555165737.db2.gz ZPZCEKDZUUAFNY-RUZDIDTESA-N 1 1 492.664 4.443 50 0 JIAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009585685 555395443 /nfs/dbraw/zinc/39/54/43/555395443.db2.gz IMVTXWGTGSCGQI-HSZRJFAPSA-N 1 1 451.563 4.311 50 0 JIAAMO CC[NH+](CC)c1ccc(-n2cc3c(c2-c2ccc(Br)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000013495589 555408547 /nfs/dbraw/zinc/40/85/47/555408547.db2.gz IUVHZAUMSVAROC-UHFFFAOYSA-N 1 1 481.394 4.304 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009593816 555409302 /nfs/dbraw/zinc/40/93/02/555409302.db2.gz CYYXOHRNXURYHK-XMMPIXPASA-N 1 1 467.566 4.149 50 0 JIAAMO CCCC[N@@H+](CC)CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C ZINC000009682052 555410342 /nfs/dbraw/zinc/41/03/42/555410342.db2.gz QTGLUBWESFUMNV-UHFFFAOYSA-N 1 1 459.594 4.038 50 0 JIAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)CC1 ZINC000009607020 555433655 /nfs/dbraw/zinc/43/36/55/555433655.db2.gz LUSXWPGLOCAJAZ-UHFFFAOYSA-N 1 1 457.534 4.375 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009712331 555436350 /nfs/dbraw/zinc/43/63/50/555436350.db2.gz RGSXVJJAXRJYFU-UHFFFAOYSA-N 1 1 456.546 4.228 50 0 JIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)C1 ZINC000009731666 555468733 /nfs/dbraw/zinc/46/87/33/555468733.db2.gz GKHPUEVLISYSPC-HNNXBMFYSA-N 1 1 473.422 4.412 50 0 JIAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2)c1ccc(F)cc1 ZINC000019840481 555508642 /nfs/dbraw/zinc/50/86/42/555508642.db2.gz WUVGZUHJJRCLSD-UHFFFAOYSA-N 1 1 481.575 4.019 50 0 JIAAMO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](CCO)CC2)c1 ZINC000019880284 555525526 /nfs/dbraw/zinc/52/55/26/555525526.db2.gz CVBXLENWAWVSDU-RUZDIDTESA-N 1 1 479.646 4.325 50 0 JIAAMO CCN1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)ccc3n2)CC1 ZINC000020153597 555673067 /nfs/dbraw/zinc/67/30/67/555673067.db2.gz RBNBQBBJMDLBSS-NHCUHLMSSA-N 1 1 482.742 4.340 50 0 JIAAMO Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)sc21 ZINC000020237890 555732191 /nfs/dbraw/zinc/73/21/91/555732191.db2.gz GDLVBOWMMBSUAD-UHFFFAOYSA-N 1 1 491.636 4.379 50 0 JIAAMO Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)NCC[N@@H+](Cc1ccccc1)C(C)C ZINC000020241491 555737001 /nfs/dbraw/zinc/73/70/01/555737001.db2.gz RHCHPDIPRMYZQB-MGBGTMOVSA-N 1 1 467.635 4.234 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000020248252 555742782 /nfs/dbraw/zinc/74/27/82/555742782.db2.gz KQYHCEFNNWMFCR-AREMUKBSSA-N 1 1 455.558 4.122 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC2(CCCCC2)O4)CC1 ZINC000020560085 555810727 /nfs/dbraw/zinc/81/07/27/555810727.db2.gz SPFPZSYPTNHCJA-HXUWFJFHSA-N 1 1 469.626 4.017 50 0 biogenic JIAAMO COc1cccc(CCNC(=O)[C@@H]2CC23CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC3)c1 ZINC000011786387 555819631 /nfs/dbraw/zinc/81/96/31/555819631.db2.gz OQYSTBWAVIKSEC-NRFANRHFSA-N 1 1 473.013 4.327 50 0 JIAAMO Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000011787721 555821948 /nfs/dbraw/zinc/82/19/48/555821948.db2.gz CVELWVYIJXUBAQ-KRWDZBQOSA-N 1 1 473.499 4.034 50 0 JIAAMO COc1ccccc1[C@@H]1CN(CC(=O)N(C)C[C@@H]2CC[N@@H+](CC(C)C)C2)Cc2ccccc2O1 ZINC000011841390 555833948 /nfs/dbraw/zinc/83/39/48/555833948.db2.gz KTMOLJJWWDOPEM-CUNXSJBXSA-N 1 1 465.638 4.067 50 0 JIAAMO CC1=C(CC[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)C(C)(C)CCC1 ZINC000011870170 555846355 /nfs/dbraw/zinc/84/63/55/555846355.db2.gz GIDBSFQDAPCFPX-NRFANRHFSA-N 1 1 465.642 4.309 50 0 JIAAMO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNCC[NH+](C)C ZINC000022037733 555865149 /nfs/dbraw/zinc/86/51/49/555865149.db2.gz QYTLGHWFFIOPDG-UHFFFAOYSA-N 1 1 451.592 4.349 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c2)cc1 ZINC000015477287 555910502 /nfs/dbraw/zinc/91/05/02/555910502.db2.gz LMHNAMDGBYAGOY-QHCPKHFHSA-N 1 1 467.591 4.346 50 0 JIAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022325238 555921848 /nfs/dbraw/zinc/92/18/48/555921848.db2.gz KQLOOOKJHDHUGD-IYBDPMFKSA-N 1 1 456.641 4.115 50 0 JIAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022325238 555921851 /nfs/dbraw/zinc/92/18/51/555921851.db2.gz KQLOOOKJHDHUGD-IYBDPMFKSA-N 1 1 456.641 4.115 50 0 JIAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022325245 555921904 /nfs/dbraw/zinc/92/19/04/555921904.db2.gz KQLOOOKJHDHUGD-HOTGVXAUSA-N 1 1 456.641 4.115 50 0 JIAAMO O=C(NCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1)c1ccc2c(c1)OCO2 ZINC000012190817 555938143 /nfs/dbraw/zinc/93/81/43/555938143.db2.gz KBQMZXYECHFBJS-DEOSSOPVSA-N 1 1 459.546 4.346 50 0 JIAAMO Cc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721560 555955873 /nfs/dbraw/zinc/95/58/73/555955873.db2.gz BBCDRQAVWYVIHJ-HHHXNRCGSA-N 1 1 453.586 4.427 50 0 JIAAMO Cc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721563 555955901 /nfs/dbraw/zinc/95/59/01/555955901.db2.gz BBCDRQAVWYVIHJ-MHZLTWQESA-N 1 1 453.586 4.427 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345282 555956198 /nfs/dbraw/zinc/95/61/98/555956198.db2.gz WIKCKNMCFJQSBU-UHFFFAOYSA-N 1 1 496.054 4.350 50 0 JIAAMO O=C(c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000015722072 555956588 /nfs/dbraw/zinc/95/65/88/555956588.db2.gz OGHNNWOFAIHMDW-UHFFFAOYSA-N 1 1 456.034 4.083 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)n2)cc1OC ZINC000015726285 555964451 /nfs/dbraw/zinc/96/44/51/555964451.db2.gz WBANBMILUYRHQP-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)n2)cc1OC ZINC000015726285 555964453 /nfs/dbraw/zinc/96/44/53/555964453.db2.gz WBANBMILUYRHQP-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccccc4Cl)CC3)n2)cc1OC ZINC000015726410 555964613 /nfs/dbraw/zinc/96/46/13/555964613.db2.gz GFHWTSGTNDKLMF-UHFFFAOYSA-N 1 1 456.930 4.258 50 0 JIAAMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726401 555964687 /nfs/dbraw/zinc/96/46/87/555964687.db2.gz YSTDHEOPDXOWKB-UHFFFAOYSA-N 1 1 450.539 4.167 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)n2)cc1OC ZINC000015726387 555964875 /nfs/dbraw/zinc/96/48/75/555964875.db2.gz PWCWEOVXQFBBEL-LJQANCHMSA-N 1 1 478.593 4.103 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2)cc1 ZINC000012526122 555993965 /nfs/dbraw/zinc/99/39/65/555993965.db2.gz DTUXNOSXEXWRPG-UHFFFAOYSA-N 1 1 477.630 4.452 50 0 JIAAMO CCCCn1c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000012530007 556000032 /nfs/dbraw/zinc/00/00/32/556000032.db2.gz OSCQROGMZONHBZ-HSZRJFAPSA-N 1 1 454.621 4.425 50 0 JIAAMO Cc1ccc(C)c(C[NH+]2CCN(C(=O)c3cn(C(C)C)cc4c(=O)n(-c5ccccc5)nc3-4)CC2)c1 ZINC000023108699 556009446 /nfs/dbraw/zinc/00/94/46/556009446.db2.gz GFBDOBCUZYWSDV-UHFFFAOYSA-N 1 1 483.616 4.295 50 0 JIAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1)OCCCO4 ZINC000012548239 556025824 /nfs/dbraw/zinc/02/58/24/556025824.db2.gz KGHPPGDQENCQCQ-QHCPKHFHSA-N 1 1 459.481 4.012 50 0 JIAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)CC1 ZINC000023175100 556026861 /nfs/dbraw/zinc/02/68/61/556026861.db2.gz HLARJPPAPYIBNO-TZIWHRDSSA-N 1 1 497.690 4.183 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000023175138 556027163 /nfs/dbraw/zinc/02/71/63/556027163.db2.gz APTYDUAINUYGOF-UHFFFAOYSA-N 1 1 473.639 4.109 50 0 JIAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000023194430 556030609 /nfs/dbraw/zinc/03/06/09/556030609.db2.gz LEWMLJSBNZJTBO-UHFFFAOYSA-N 1 1 456.949 4.303 50 0 JIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860427 556031840 /nfs/dbraw/zinc/03/18/40/556031840.db2.gz CBYGMHMUWJLTOL-QGZVFWFLSA-N 1 1 459.340 4.414 50 0 JIAAMO CCOC(=O)N1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(CC)cc4)oc3C)C2)CC1 ZINC000015937029 556074913 /nfs/dbraw/zinc/07/49/13/556074913.db2.gz NBVQTGYWYLPCDO-JOCHJYFZSA-N 1 1 482.625 4.162 50 0 JIAAMO Cc1c2cnn(CC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000015941279 556076392 /nfs/dbraw/zinc/07/63/92/556076392.db2.gz ZBYXGERGTYKLET-KDURUIRLSA-N 1 1 498.071 4.001 50 0 JIAAMO COc1cccc2c1OCC([C@@H]1C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]14)=C2 ZINC000012588117 556084678 /nfs/dbraw/zinc/08/46/78/556084678.db2.gz YWHNUSZZWFWUOH-YBXDKENTSA-N 1 1 450.966 4.390 50 0 JIAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[N@@H+]3CCc4ccccc4C3)cc12 ZINC000015961476 556092844 /nfs/dbraw/zinc/09/28/44/556092844.db2.gz NZORQKRPSGFQLE-UHFFFAOYSA-N 1 1 488.705 4.030 50 0 JIAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000015961476 556092848 /nfs/dbraw/zinc/09/28/48/556092848.db2.gz NZORQKRPSGFQLE-UHFFFAOYSA-N 1 1 488.705 4.030 50 0 JIAAMO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000012909830 556128938 /nfs/dbraw/zinc/12/89/38/556128938.db2.gz CVJCJTHGGKVPLF-IGKIAQTJSA-N 1 1 484.575 4.039 50 0 JIAAMO O=C(CNC(=O)c1ccccc1Br)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012917704 556136771 /nfs/dbraw/zinc/13/67/71/556136771.db2.gz XERFGESMWYEBEE-UHFFFAOYSA-N 1 1 492.417 4.113 50 0 JIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 ZINC000012919267 556138466 /nfs/dbraw/zinc/13/84/66/556138466.db2.gz GMRWIKSFMHSIAI-XMMPIXPASA-N 1 1 473.639 4.118 50 0 JIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 ZINC000012919267 556138467 /nfs/dbraw/zinc/13/84/67/556138467.db2.gz GMRWIKSFMHSIAI-XMMPIXPASA-N 1 1 473.639 4.118 50 0 JIAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012997332 556190005 /nfs/dbraw/zinc/19/00/05/556190005.db2.gz XRQOFTLDIOLUQZ-UHFFFAOYSA-N 1 1 482.446 4.035 50 0 JIAAMO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993670 556197884 /nfs/dbraw/zinc/19/78/84/556197884.db2.gz NXLGLOFLNWIJEO-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000013055859 556250464 /nfs/dbraw/zinc/25/04/64/556250464.db2.gz FJGQWFDTTKUSQT-GOSISDBHSA-N 1 1 450.608 4.270 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000017296943 556252158 /nfs/dbraw/zinc/25/21/58/556252158.db2.gz VBYBBILBJNMDLQ-RUZDIDTESA-N 1 1 496.007 4.324 50 0 JIAAMO COc1cc(CNc2nc(C[NH+]3CCC(C)CC3)nc3sc(C)c(C)c32)ccc1OCC(N)=O ZINC000032936796 556551830 /nfs/dbraw/zinc/55/18/30/556551830.db2.gz RLTDCXMUQANEBJ-UHFFFAOYSA-N 1 1 483.638 4.025 50 0 JIAAMO Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCCC[N@@H+](C)C3CCCCC3)c2cc1C ZINC000032945100 556559683 /nfs/dbraw/zinc/55/96/83/556559683.db2.gz QSPSUPPCRNCVRT-QGZVFWFLSA-N 1 1 466.548 4.364 50 0 JIAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)ccc2c1NC(=O)C1CC1 ZINC000055037083 569590446 /nfs/dbraw/zinc/59/04/46/569590446.db2.gz ZDQMTXPPAQDUFE-UHFFFAOYSA-N 1 1 475.574 4.249 50 0 JIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@H](C)N3c4ccccc4SC(C)(C)CC3=O)CC2)c1C ZINC000063502576 569615284 /nfs/dbraw/zinc/61/52/84/569615284.db2.gz BKSDOIVOOUQAEF-QFIPXVFZSA-N 1 1 494.705 4.238 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018530 569618390 /nfs/dbraw/zinc/61/83/90/569618390.db2.gz ZQECQZQJXPWXEX-HSZRJFAPSA-N 1 1 471.605 4.082 50 0 JIAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318471 569623133 /nfs/dbraw/zinc/62/31/33/569623133.db2.gz HNOYXACWUCKTNY-UHFFFAOYSA-N 1 1 453.568 4.328 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000033331774 569624360 /nfs/dbraw/zinc/62/43/60/569624360.db2.gz OOXIFKMFGRXTFQ-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000033331774 569624361 /nfs/dbraw/zinc/62/43/61/569624361.db2.gz OOXIFKMFGRXTFQ-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000033911241 569637405 /nfs/dbraw/zinc/63/74/05/569637405.db2.gz FSRFOSZQIFSTDH-XUJYPJAKSA-N 1 1 493.563 4.466 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000033911241 569637406 /nfs/dbraw/zinc/63/74/06/569637406.db2.gz FSRFOSZQIFSTDH-XUJYPJAKSA-N 1 1 493.563 4.466 50 0 JIAAMO C[NH+]1CCN(C(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)c3cccc(F)c3)cc2)CC1 ZINC000034675510 569641118 /nfs/dbraw/zinc/64/11/18/569641118.db2.gz JKGRAYCDSKYSQD-UHFFFAOYSA-N 1 1 463.528 4.128 50 0 JIAAMO COc1ccc(N(C2CC[NH+](Cc3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683741 569644642 /nfs/dbraw/zinc/64/46/42/569644642.db2.gz ICWNWGDVFBNZDQ-UHFFFAOYSA-N 1 1 456.564 4.157 50 0 JIAAMO Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)nc2)cc1 ZINC000065023330 569649867 /nfs/dbraw/zinc/64/98/67/569649867.db2.gz JEFUSYKHSNGQEE-VWLOTQADSA-N 1 1 457.622 4.307 50 0 JIAAMO COc1ccc(C[N@@H+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)C[C@H]2C)c(OC)c1 ZINC000034707986 569650103 /nfs/dbraw/zinc/65/01/03/569650103.db2.gz AJFSAPKUZXUAPW-GOSISDBHSA-N 1 1 484.560 4.265 50 0 JIAAMO COc1ccc(C[N@H+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)C[C@H]2C)c(OC)c1 ZINC000034707986 569650105 /nfs/dbraw/zinc/65/01/05/569650105.db2.gz AJFSAPKUZXUAPW-GOSISDBHSA-N 1 1 484.560 4.265 50 0 JIAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000034708051 569650324 /nfs/dbraw/zinc/65/03/24/569650324.db2.gz VTELYDCFPMQIBQ-DFHRPNOPSA-N 1 1 492.616 4.477 50 0 JIAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2ccccc2)CC3)ccc1F ZINC000034757214 569656758 /nfs/dbraw/zinc/65/67/58/569656758.db2.gz NMBMBPGHIOYNLD-UHFFFAOYSA-N 1 1 476.556 4.058 50 0 JIAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000034758427 569657391 /nfs/dbraw/zinc/65/73/91/569657391.db2.gz HYKMJJWLEXWVOV-UHFFFAOYSA-N 1 1 499.949 4.151 50 0 JIAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787197 569659482 /nfs/dbraw/zinc/65/94/82/569659482.db2.gz PLKLUOWHJNTUTG-HHHXNRCGSA-N 1 1 473.642 4.379 50 0 JIAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787197 569659483 /nfs/dbraw/zinc/65/94/83/569659483.db2.gz PLKLUOWHJNTUTG-HHHXNRCGSA-N 1 1 473.642 4.379 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@H](C)C1 ZINC000034829818 569663327 /nfs/dbraw/zinc/66/33/27/569663327.db2.gz JIXJTVLNXWVRHU-NFQMXDRXSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@H](C)C1 ZINC000034829818 569663328 /nfs/dbraw/zinc/66/33/28/569663328.db2.gz JIXJTVLNXWVRHU-NFQMXDRXSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@H](C)C1 ZINC000034829814 569663381 /nfs/dbraw/zinc/66/33/81/569663381.db2.gz OYNHLDUYTNIOGN-FQRUVTKNSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@H](C)C1 ZINC000034829814 569663382 /nfs/dbraw/zinc/66/33/82/569663382.db2.gz OYNHLDUYTNIOGN-FQRUVTKNSA-N 1 1 467.679 4.500 50 0 JIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830025 569663661 /nfs/dbraw/zinc/66/36/61/569663661.db2.gz WWNBCEXOEYNAKC-NDEPHWFRSA-N 1 1 491.632 4.138 50 0 JIAAMO COc1cccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928030 569673346 /nfs/dbraw/zinc/67/33/46/569673346.db2.gz FQVPMCRTEFWZQU-VMPREFPWSA-N 1 1 495.623 4.483 50 0 JIAAMO Cc1ccc(C)c(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)c1 ZINC000035404466 569691553 /nfs/dbraw/zinc/69/15/53/569691553.db2.gz UPDHTOBBBSREFL-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO Cc1ccc(C)c(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)c1 ZINC000035404466 569691554 /nfs/dbraw/zinc/69/15/54/569691554.db2.gz UPDHTOBBBSREFL-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454124 569697399 /nfs/dbraw/zinc/69/73/99/569697399.db2.gz RIQUJRXPXTUFFY-GOSISDBHSA-N 1 1 459.034 4.444 50 0 JIAAMO C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454171 569697456 /nfs/dbraw/zinc/69/74/56/569697456.db2.gz YFVNZYNFFOSIJQ-MSOLQXFVSA-N 1 1 459.034 4.300 50 0 JIAAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@H]12 ZINC000035871564 569718693 /nfs/dbraw/zinc/71/86/93/569718693.db2.gz RNSQOSWPTNFNNJ-ISKFKSNPSA-N 1 1 472.555 4.412 50 0 JIAAMO O=C(NCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871508 569718735 /nfs/dbraw/zinc/71/87/35/569718735.db2.gz OONLYAQEVINLIU-FYYLOGMGSA-N 1 1 458.528 4.022 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000035872072 569719039 /nfs/dbraw/zinc/71/90/39/569719039.db2.gz PIRNAYKFZJVPPX-XNMGPUDCSA-N 1 1 477.555 4.153 50 0 JIAAMO CCn1cc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872346 569719320 /nfs/dbraw/zinc/71/93/20/569719320.db2.gz KFUQODBLNIPWRZ-RUZDIDTESA-N 1 1 479.621 4.039 50 0 JIAAMO Cc1cccc(CS(=O)(=O)c2ncc(CN(CC[NH+](C)C)C(=O)C(C)C)n2C2CCCCC2)c1 ZINC000036030613 569751707 /nfs/dbraw/zinc/75/17/07/569751707.db2.gz NICNPRGAKBNAIB-UHFFFAOYSA-N 1 1 488.698 4.217 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036257011 569758793 /nfs/dbraw/zinc/75/87/93/569758793.db2.gz HUROHIKGGOTJAX-PXDATVDWSA-N 1 1 489.104 4.037 50 0 JIAAMO O=C(NCCc1ccccc1)[C@H](C1CCCC1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036311078 569759469 /nfs/dbraw/zinc/75/94/69/569759469.db2.gz CWHRCSCHGFIZPS-DEOSSOPVSA-N 1 1 468.642 4.058 50 0 JIAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000036312200 569760047 /nfs/dbraw/zinc/76/00/47/569760047.db2.gz QIGAAWCYMUKJKW-UHFFFAOYSA-N 1 1 454.521 4.424 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC1 ZINC000036312247 569760133 /nfs/dbraw/zinc/76/01/33/569760133.db2.gz LZLHZKNQMBWYDM-NRFANRHFSA-N 1 1 496.558 4.193 50 0 JIAAMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036341161 569764311 /nfs/dbraw/zinc/76/43/11/569764311.db2.gz NNDPVCNSEIDFFW-MUUNZHRXSA-N 1 1 486.591 4.330 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3OC)C2)c1 ZINC000036341446 569764515 /nfs/dbraw/zinc/76/45/15/569764515.db2.gz VSSRZSFBBAWTGP-MUUNZHRXSA-N 1 1 498.627 4.199 50 0 JIAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036342866 569766113 /nfs/dbraw/zinc/76/61/13/569766113.db2.gz SKRZXSBRQXKEHY-QHCPKHFHSA-N 1 1 453.970 4.165 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccccc2Cl)C1 ZINC000036343934 569766763 /nfs/dbraw/zinc/76/67/63/569766763.db2.gz RBMKXSRUOXAUHL-JPYJTQIMSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccccc2Cl)C1 ZINC000036343934 569766764 /nfs/dbraw/zinc/76/67/64/569766764.db2.gz RBMKXSRUOXAUHL-JPYJTQIMSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345119 569767721 /nfs/dbraw/zinc/76/77/21/569767721.db2.gz LRSRLCFDJUBFBQ-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345119 569767722 /nfs/dbraw/zinc/76/77/22/569767722.db2.gz LRSRLCFDJUBFBQ-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO COc1ccccc1[C@H]1CC(c2cccc(C)c2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036345318 569767888 /nfs/dbraw/zinc/76/78/88/569767888.db2.gz QBTQUSRJSDBITC-MUUNZHRXSA-N 1 1 482.628 4.499 50 0 JIAAMO CC[N@@H+]1CCc2c(c(CN(C(=O)c3ccccc3F)C(C)C)nn2-c2ccccc2OC)C1 ZINC000037378261 569784572 /nfs/dbraw/zinc/78/45/72/569784572.db2.gz MKCQFGLVIXLBJM-UHFFFAOYSA-N 1 1 450.558 4.449 50 0 JIAAMO CC[N@H+]1CCc2c(c(CN(C(=O)c3ccccc3F)C(C)C)nn2-c2ccccc2OC)C1 ZINC000037378261 569784574 /nfs/dbraw/zinc/78/45/74/569784574.db2.gz MKCQFGLVIXLBJM-UHFFFAOYSA-N 1 1 450.558 4.449 50 0 JIAAMO CC[C@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037382562 569785207 /nfs/dbraw/zinc/78/52/07/569785207.db2.gz IPZAKDIBUAPERJ-FQEVSTJZSA-N 1 1 481.666 4.192 50 0 JIAAMO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497519 569800555 /nfs/dbraw/zinc/80/05/55/569800555.db2.gz WPDVZUKIOFSVJK-KRWDZBQOSA-N 1 1 485.654 4.100 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497519 569800557 /nfs/dbraw/zinc/80/05/57/569800557.db2.gz WPDVZUKIOFSVJK-KRWDZBQOSA-N 1 1 485.654 4.100 50 0 JIAAMO CC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4cccc(C)c4)N23)CC1 ZINC000101919938 569807885 /nfs/dbraw/zinc/80/78/85/569807885.db2.gz DZKQDNMDZHUOCQ-DEOSSOPVSA-N 1 1 482.650 4.076 50 0 JIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCC([C@H](O)c2cccnc2)CC1 ZINC000039468434 569810024 /nfs/dbraw/zinc/81/00/24/569810024.db2.gz QLWHVNYQJZDFPT-PXJZQJOASA-N 1 1 471.601 4.380 50 0 JIAAMO CCn1c(C[NH2+][C@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000040161524 569822825 /nfs/dbraw/zinc/82/28/25/569822825.db2.gz BHCLFLZETWSONU-GOSISDBHSA-N 1 1 456.612 4.090 50 0 JIAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[NH+](C)C)cc1 ZINC000040323037 569823816 /nfs/dbraw/zinc/82/38/16/569823816.db2.gz STNJFJMKUKFNFC-LJQANCHMSA-N 1 1 491.407 4.216 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccccc2C)C1 ZINC000105011106 569850904 /nfs/dbraw/zinc/85/09/04/569850904.db2.gz KRYYMDZTQPHXKO-HYBUGGRVSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccccc2C)C1 ZINC000105011106 569850905 /nfs/dbraw/zinc/85/09/05/569850905.db2.gz KRYYMDZTQPHXKO-HYBUGGRVSA-N 1 1 451.542 4.087 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000105061752 569852687 /nfs/dbraw/zinc/85/26/87/569852687.db2.gz JQICXOFZQSMVNL-NLFFAJNJSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000106535028 569854254 /nfs/dbraw/zinc/85/42/54/569854254.db2.gz DSURUBCWJNTTIP-XMODTWTHSA-N 1 1 470.356 4.041 50 0 JIAAMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000106630823 569854461 /nfs/dbraw/zinc/85/44/61/569854461.db2.gz CNGNXQSTBLAJST-MZKRTTBSSA-N 1 1 457.640 4.061 50 0 JIAAMO COc1ccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](CCc4ccccc4)C[C@@H]23)cc1OC ZINC000169678514 569869158 /nfs/dbraw/zinc/86/91/58/569869158.db2.gz DBXWCYGZMPBZQJ-AHWVRZQESA-N 1 1 471.601 4.248 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000169679597 569869803 /nfs/dbraw/zinc/86/98/03/569869803.db2.gz WYVSJIRABXPAHG-BVAGGSTKSA-N 1 1 464.537 4.269 50 0 JIAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000227598719 570040302 /nfs/dbraw/zinc/04/03/02/570040302.db2.gz GMWHUPHPNGATAQ-ZFGGDYGUSA-N 1 1 465.642 4.042 50 0 JIAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000227598719 570040304 /nfs/dbraw/zinc/04/03/04/570040304.db2.gz GMWHUPHPNGATAQ-ZFGGDYGUSA-N 1 1 465.642 4.042 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@H+](C[C@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000229989815 570043172 /nfs/dbraw/zinc/04/31/72/570043172.db2.gz CKKCCESDYTVDKH-LEWJYISDSA-N 1 1 465.527 4.321 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@@H+](C[C@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000229989815 570043173 /nfs/dbraw/zinc/04/31/73/570043173.db2.gz CKKCCESDYTVDKH-LEWJYISDSA-N 1 1 465.527 4.321 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245279111 570061247 /nfs/dbraw/zinc/06/12/47/570061247.db2.gz CSTUNECKNNEGFV-XNMGPUDCSA-N 1 1 460.574 4.268 50 0 JIAAMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248139751 570075326 /nfs/dbraw/zinc/07/53/26/570075326.db2.gz BMAMLFSICSYNAC-JOCHJYFZSA-N 1 1 475.637 4.187 50 0 JIAAMO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4CC)C3)CC2)cc1 ZINC000249683566 570078492 /nfs/dbraw/zinc/07/84/92/570078492.db2.gz DAIRJJIZJJOTSC-HSZRJFAPSA-N 1 1 459.638 4.179 50 0 JIAAMO CCn1c(C[NH+]2CCC(C(=O)NCc3ccc(Br)cc3)CC2)nc2ccccc21 ZINC000249693058 570078727 /nfs/dbraw/zinc/07/87/27/570078727.db2.gz NLWWVHKOBOFUGQ-UHFFFAOYSA-N 1 1 455.400 4.347 50 0 JIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1nc(-n2cccc2)sc1CC(C)C ZINC000263585028 570170792 /nfs/dbraw/zinc/17/07/92/570170792.db2.gz DIJVRBNNLABWIR-LEWJYISDSA-N 1 1 458.672 4.485 50 0 JIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccncc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797987 570177348 /nfs/dbraw/zinc/17/73/48/570177348.db2.gz PXQOGTCWLQPLMH-XUZZJYLKSA-N 1 1 490.570 4.066 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797987 570177349 /nfs/dbraw/zinc/17/73/49/570177349.db2.gz PXQOGTCWLQPLMH-XUZZJYLKSA-N 1 1 490.570 4.066 50 0 JIAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@H]3CCCC[C@@H]3C)CC23CCCCC3)cc1 ZINC000002953399 194178513 /nfs/dbraw/zinc/17/85/13/194178513.db2.gz FQUWDKZMTAUNSB-UPVQGACJSA-N 1 1 470.727 4.385 50 0 JIAAMO Cn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012793712 195134002 /nfs/dbraw/zinc/13/40/02/195134002.db2.gz UHWPGBPPKUEOFX-KRWDZBQOSA-N 1 1 496.683 4.206 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cc1 ZINC000012803230 195140646 /nfs/dbraw/zinc/14/06/46/195140646.db2.gz MGGVQENDGYBSJS-HSZRJFAPSA-N 1 1 463.603 4.109 50 0 JIAAMO O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012850330 195154551 /nfs/dbraw/zinc/15/45/51/195154551.db2.gz IGLJROZFVNKSPM-UHFFFAOYSA-N 1 1 468.978 4.002 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000012867459 195161930 /nfs/dbraw/zinc/16/19/30/195161930.db2.gz BYDRVKFBRWJJTO-IBGZPJMESA-N 1 1 454.924 4.389 50 0 JIAAMO COc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000012888994 195171909 /nfs/dbraw/zinc/17/19/09/195171909.db2.gz AVVZIPRYGLTZPO-OAQYLSRUSA-N 1 1 491.426 4.123 50 0 JIAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020784627 195225438 /nfs/dbraw/zinc/22/54/38/195225438.db2.gz UGJVOZVTYCGGEA-HSZRJFAPSA-N 1 1 450.627 4.210 50 0 JIAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000020906134 195245105 /nfs/dbraw/zinc/24/51/05/195245105.db2.gz ATYIVIIOJOCBFP-VWLOTQADSA-N 1 1 460.626 4.057 50 0 JIAAMO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020914638 195246345 /nfs/dbraw/zinc/24/63/45/195246345.db2.gz PASQWJBVSAROBS-FQEVSTJZSA-N 1 1 461.488 4.075 50 0 JIAAMO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020914638 195246347 /nfs/dbraw/zinc/24/63/47/195246347.db2.gz PASQWJBVSAROBS-FQEVSTJZSA-N 1 1 461.488 4.075 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccccc1NC(=O)C1=CSCCO1)Cc1cccs1 ZINC000021019550 195267251 /nfs/dbraw/zinc/26/72/51/195267251.db2.gz DBYDUUDVFAMUNF-QGZVFWFLSA-N 1 1 459.637 4.322 50 0 JIAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794847 195322028 /nfs/dbraw/zinc/32/20/28/195322028.db2.gz NXOCPDVGZWYMRO-UHFFFAOYSA-N 1 1 453.568 4.328 50 0 JIAAMO Cc1[nH+]ccn1-c1ccccc1CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000058158483 195367778 /nfs/dbraw/zinc/36/77/78/195367778.db2.gz CMAGJHRLCZNAOF-UHFFFAOYSA-N 1 1 460.847 4.406 50 0 JIAAMO Cc1ccc2nc3c(cc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n3C)c(=O)n2c1 ZINC000096347451 130074611 /nfs/dbraw/zinc/07/46/11/130074611.db2.gz SAPZAIFOWLSGFB-UHFFFAOYSA-N 1 1 491.595 4.042 50 0 JIAAMO O=C(CCNC(=O)c1ccoc1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000024774176 518198284 /nfs/dbraw/zinc/19/82/84/518198284.db2.gz XZJYPIJNYWBBSC-UHFFFAOYSA-N 1 1 457.983 4.126 50 0 JIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036309769 519636106 /nfs/dbraw/zinc/63/61/06/519636106.db2.gz UDJULOJWXUQQCD-REWPJTCUSA-N 1 1 492.657 4.278 50 0 JIAAMO CC(=O)Nc1ccc2nc(N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)cc(C)c2c1 ZINC000021704075 519734976 /nfs/dbraw/zinc/73/49/76/519734976.db2.gz XNXVELLOOGKVAK-UHFFFAOYSA-N 1 1 485.632 4.062 50 0 JIAAMO CC(C)c1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccco2)n1 ZINC000014975758 519830667 /nfs/dbraw/zinc/83/06/67/519830667.db2.gz BEZFYRWDAYLAAG-FQEVSTJZSA-N 1 1 456.550 4.050 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307261 520090305 /nfs/dbraw/zinc/09/03/05/520090305.db2.gz UOOAVECXJGMSEM-UPVQGACJSA-N 1 1 483.584 4.397 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036309491 521537290 /nfs/dbraw/zinc/53/72/90/521537290.db2.gz LOQWVRAYKCYJDD-URXFXBBRSA-N 1 1 474.667 4.059 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)[C@@H](C)C(C)(C)O ZINC000036310257 521539067 /nfs/dbraw/zinc/53/90/67/521539067.db2.gz HGWLTWCWVLWPHR-PGRDOPGGSA-N 1 1 460.640 4.133 50 0 JIAAMO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000014964336 521577652 /nfs/dbraw/zinc/57/76/52/521577652.db2.gz MHLQJEKZTIWZED-JOCHJYFZSA-N 1 1 456.546 4.068 50 0 JIAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)c(=O)c21 ZINC000008590989 521637512 /nfs/dbraw/zinc/63/75/12/521637512.db2.gz OWPSUIYJISEOKG-UHFFFAOYSA-N 1 1 473.621 4.178 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)CN1CCOCC1 ZINC000036304884 521679538 /nfs/dbraw/zinc/67/95/38/521679538.db2.gz FQWXLQHBCJMYJH-VWLOTQADSA-N 1 1 478.637 4.187 50 0 JIAAMO CC[C@@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456599 522173608 /nfs/dbraw/zinc/17/36/08/522173608.db2.gz XCRMBZBAQRRWHB-GOSISDBHSA-N 1 1 498.549 4.402 50 0 JIAAMO CC[C@@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456599 522173620 /nfs/dbraw/zinc/17/36/20/522173620.db2.gz XCRMBZBAQRRWHB-GOSISDBHSA-N 1 1 498.549 4.402 50 0 JIAAMO COC(=O)c1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)CCC2 ZINC000016193226 522282768 /nfs/dbraw/zinc/28/27/68/522282768.db2.gz TXKPULFZXNTADV-UHFFFAOYSA-N 1 1 455.580 4.090 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C(C)=O)CCCC2)cc(OC)c1 ZINC000033435683 522647754 /nfs/dbraw/zinc/64/77/54/522647754.db2.gz XWUPNWHVGPCUMK-RDPSFJRHSA-N 1 1 457.615 4.068 50 0 JIAAMO COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305720 522787264 /nfs/dbraw/zinc/78/72/64/522787264.db2.gz BXVGOAQIJJZUHE-OAQYLSRUSA-N 1 1 453.583 4.353 50 0 JIAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(C)c(C)c2)CC3)o1 ZINC000014995961 522964732 /nfs/dbraw/zinc/96/47/32/522964732.db2.gz AHTGVZUYDOLAGE-HSZRJFAPSA-N 1 1 479.625 4.210 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC000025045629 523242205 /nfs/dbraw/zinc/24/22/05/523242205.db2.gz YLEIAXUAEJLMAG-OAQYLSRUSA-N 1 1 460.534 4.182 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@H](CNC(C)=O)C2)cc1F ZINC000012453368 523245332 /nfs/dbraw/zinc/24/53/32/523245332.db2.gz ACDCAWIJMBCQPC-HXUWFJFHSA-N 1 1 450.558 4.344 50 0 JIAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036205394 523269804 /nfs/dbraw/zinc/26/98/04/523269804.db2.gz ZGJWMBVKXNEEDK-OAQYLSRUSA-N 1 1 487.666 4.140 50 0 JIAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036205394 523269812 /nfs/dbraw/zinc/26/98/12/523269812.db2.gz ZGJWMBVKXNEEDK-OAQYLSRUSA-N 1 1 487.666 4.140 50 0 JIAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000016631366 523360487 /nfs/dbraw/zinc/36/04/87/523360487.db2.gz NXBBSYYBCBEITB-NRFANRHFSA-N 1 1 451.519 4.090 50 0 JIAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000016631366 523360491 /nfs/dbraw/zinc/36/04/91/523360491.db2.gz NXBBSYYBCBEITB-NRFANRHFSA-N 1 1 451.519 4.090 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)C(C)C ZINC000036305992 523734633 /nfs/dbraw/zinc/73/46/33/523734633.db2.gz GIWLBYMNTNSPIM-XMMPIXPASA-N 1 1 453.583 4.353 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036307420 523735048 /nfs/dbraw/zinc/73/50/48/523735048.db2.gz XGUSMNXVMAGJAE-QFIPXVFZSA-N 1 1 471.573 4.253 50 0 JIAAMO COc1ccc(C(=O)N[C@H](c2nnc3n2CC[N@H+](Cc2ccc(C)c(C)c2)CC3)C(C)C)cc1 ZINC000014887123 523736435 /nfs/dbraw/zinc/73/64/35/523736435.db2.gz OPYZIHFSCOBSMT-VWLOTQADSA-N 1 1 461.610 4.089 50 0 JIAAMO Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000048361869 524183590 /nfs/dbraw/zinc/18/35/90/524183590.db2.gz QFPVRUHNAQOFGW-TZIWHRDSSA-N 1 1 466.607 4.137 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000020467762 524454442 /nfs/dbraw/zinc/45/44/42/524454442.db2.gz BBVNJBLQUUDBRS-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000020467762 524454446 /nfs/dbraw/zinc/45/44/46/524454446.db2.gz BBVNJBLQUUDBRS-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO Cc1cccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)s2)c1 ZINC000033031862 524767836 /nfs/dbraw/zinc/76/78/36/524767836.db2.gz MLXOZLGTULKKHA-IBGZPJMESA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000016292521 524901733 /nfs/dbraw/zinc/90/17/33/524901733.db2.gz KQTJARXIWYGTKY-QHCPKHFHSA-N 1 1 491.657 4.083 50 0 JIAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036310865 525134458 /nfs/dbraw/zinc/13/44/58/525134458.db2.gz FNUQZXXMPCADLF-SANMLTNESA-N 1 1 460.622 4.288 50 0 JIAAMO Cc1ccc(-n2cc3c(c(C(=O)NCC[N@@H+]4CCc5ccccc5C4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000436 525910811 /nfs/dbraw/zinc/91/08/11/525910811.db2.gz QRTOVCYDDVAEFU-UHFFFAOYSA-N 1 1 483.612 4.089 50 0 JIAAMO Cc1ccc(-n2cc3c(c(C(=O)NCC[N@H+]4CCc5ccccc5C4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000436 525910817 /nfs/dbraw/zinc/91/08/17/525910817.db2.gz QRTOVCYDDVAEFU-UHFFFAOYSA-N 1 1 483.612 4.089 50 0 JIAAMO Cc1nonc1C[N@@H+](C)[C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000014980921 526702356 /nfs/dbraw/zinc/70/23/56/526702356.db2.gz SPAABNKTUFUUSX-MRXNPFEDSA-N 1 1 469.998 4.035 50 0 JIAAMO Cc1nonc1C[N@H+](C)[C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000014980921 526702360 /nfs/dbraw/zinc/70/23/60/526702360.db2.gz SPAABNKTUFUUSX-MRXNPFEDSA-N 1 1 469.998 4.035 50 0 JIAAMO Cc1sc2nc(CSc3ccc(Br)cc3)nc(N3CC[NH+](CCO)CC3)c2c1C ZINC000021762803 526893497 /nfs/dbraw/zinc/89/34/97/526893497.db2.gz AKNFPRPDKDANRQ-UHFFFAOYSA-N 1 1 493.496 4.477 50 0 JIAAMO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@H](c1cccnc1)N1CCCCC1 ZINC000014986645 526993545 /nfs/dbraw/zinc/99/35/45/526993545.db2.gz JVHRSHIVHBDAHO-FYYLOGMGSA-N 1 1 485.028 4.162 50 0 JIAAMO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020443359 527130077 /nfs/dbraw/zinc/13/00/77/527130077.db2.gz OBIIIJJDTMSOQS-UHFFFAOYSA-N 1 1 453.586 4.470 50 0 JIAAMO O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000014952220 527368284 /nfs/dbraw/zinc/36/82/84/527368284.db2.gz WVELHMKUCMGRLM-NDEPHWFRSA-N 1 1 489.595 4.179 50 0 JIAAMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000033071160 527530245 /nfs/dbraw/zinc/53/02/45/527530245.db2.gz ARIJJTYGMZZOJA-UHFFFAOYSA-N 1 1 452.002 4.214 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002446591 554213963 /nfs/dbraw/zinc/21/39/63/554213963.db2.gz USLXYLBZAWHKFL-XITLKHQFSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002446591 554213969 /nfs/dbraw/zinc/21/39/69/554213969.db2.gz USLXYLBZAWHKFL-XITLKHQFSA-N 1 1 490.774 4.386 50 0 JIAAMO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000008881151 554776213 /nfs/dbraw/zinc/77/62/13/554776213.db2.gz GLYDACRMUKQJMM-AREMUKBSSA-N 1 1 465.594 4.012 50 0 JIAAMO COc1ccc(-n2cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c3ccccc3c2=O)cc1 ZINC000009433738 555204050 /nfs/dbraw/zinc/20/40/50/555204050.db2.gz BQICSWLTDJZWLE-UHFFFAOYSA-N 1 1 467.569 4.178 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2cc(C)c(C)cc2s1 ZINC000009708062 555432858 /nfs/dbraw/zinc/43/28/58/555432858.db2.gz ZMVFLWOGSREWPZ-UHFFFAOYSA-N 1 1 459.637 4.305 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2cc(C)c(C)cc2s1 ZINC000009708063 555432871 /nfs/dbraw/zinc/43/28/71/555432871.db2.gz FCBUDYYXLIJRME-UHFFFAOYSA-N 1 1 459.637 4.305 50 0 JIAAMO COc1ccc(-c2cc3nc(C)c(CCC(=O)NC[C@H]4CC[N@@H+](CC(C)C)C4)c(C)n3n2)c(OC)c1 ZINC000009610132 555439614 /nfs/dbraw/zinc/43/96/14/555439614.db2.gz AXVGSCYOVVBYDN-OAQYLSRUSA-N 1 1 493.652 4.057 50 0 JIAAMO C[NH+]1CCN(c2ccccc2C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000009776974 555495331 /nfs/dbraw/zinc/49/53/31/555495331.db2.gz WMFPPLDCUNDZDZ-SVBPBHIXSA-N 1 1 451.570 4.158 50 0 JIAAMO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000013572469 555511247 /nfs/dbraw/zinc/51/12/47/555511247.db2.gz IYIOPCNBPWTIBE-XGRGSHCPSA-N 1 1 478.589 4.282 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000009813165 555520712 /nfs/dbraw/zinc/52/07/12/555520712.db2.gz HULHPVWTLBOJTP-CQSZACIVSA-N 1 1 471.321 4.402 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000009813165 555520715 /nfs/dbraw/zinc/52/07/15/555520715.db2.gz HULHPVWTLBOJTP-CQSZACIVSA-N 1 1 471.321 4.402 50 0 JIAAMO CN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 ZINC000010022579 555598681 /nfs/dbraw/zinc/59/86/81/555598681.db2.gz TYSXIGLBZBGJNM-UHFFFAOYSA-N 1 1 493.054 4.018 50 0 JIAAMO Cc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000014185920 555727071 /nfs/dbraw/zinc/72/70/71/555727071.db2.gz MXFZBRNJGINPCP-UHFFFAOYSA-N 1 1 491.657 4.003 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C1CCCCC1 ZINC000020241883 555737723 /nfs/dbraw/zinc/73/77/23/555737723.db2.gz ZRGGZJNSVZTRLT-HXUWFJFHSA-N 1 1 489.682 4.423 50 0 JIAAMO C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288381 555757699 /nfs/dbraw/zinc/75/76/99/555757699.db2.gz HPMSDHSJRLGHSD-NTKDMRAZSA-N 1 1 497.064 4.086 50 0 JIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020386554 555787547 /nfs/dbraw/zinc/78/75/47/555787547.db2.gz VUVNSUMJMLJMSK-ZSQFBXSQSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020386554 555787549 /nfs/dbraw/zinc/78/75/49/555787549.db2.gz VUVNSUMJMLJMSK-ZSQFBXSQSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020386547 555787564 /nfs/dbraw/zinc/78/75/64/555787564.db2.gz VUVNSUMJMLJMSK-RZFJZAQRSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020386547 555787567 /nfs/dbraw/zinc/78/75/67/555787567.db2.gz VUVNSUMJMLJMSK-RZFJZAQRSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC1)nnc2C ZINC000020564173 555816990 /nfs/dbraw/zinc/81/69/90/555816990.db2.gz WCVJAKCUMCUTIL-FQEVSTJZSA-N 1 1 489.668 4.029 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014542441 555833406 /nfs/dbraw/zinc/83/34/06/555833406.db2.gz FTVQLZJCFOTYNF-LOSJGSFVSA-N 1 1 473.592 4.304 50 0 JIAAMO CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)N(C)C[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000011911709 555859604 /nfs/dbraw/zinc/85/96/04/555859604.db2.gz BCNPCGPJXDXTON-NRFANRHFSA-N 1 1 475.637 4.317 50 0 JIAAMO Cc1n[nH]c(C)c1CC[N@H+](C)C1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000011973044 555874543 /nfs/dbraw/zinc/87/45/43/555874543.db2.gz LXBPLIOFBHOFFN-UHFFFAOYSA-N 1 1 463.601 4.239 50 0 JIAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000012035487 555888822 /nfs/dbraw/zinc/88/88/22/555888822.db2.gz UYNSSOVGRSIYEK-IBGZPJMESA-N 1 1 459.619 4.361 50 0 JIAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000015539182 555913877 /nfs/dbraw/zinc/91/38/77/555913877.db2.gz MHYOUKFFSVAUSC-JOCHJYFZSA-N 1 1 469.994 4.145 50 0 JIAAMO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CC1(N2CCOCC2)CCCCC1 ZINC000012191576 555939158 /nfs/dbraw/zinc/93/91/58/555939158.db2.gz MRAQNOMRRCDVCE-JOCHJYFZSA-N 1 1 467.576 4.211 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4cc(C)ccc4C)C3)n2)cc1OC ZINC000015726267 555963946 /nfs/dbraw/zinc/96/39/46/555963946.db2.gz IFILOZGWQFSEGO-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4cc(C)ccc4C)C3)n2)cc1OC ZINC000015726267 555963948 /nfs/dbraw/zinc/96/39/48/555963948.db2.gz IFILOZGWQFSEGO-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO CCc1ccccc1N(C)C(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726347 555964336 /nfs/dbraw/zinc/96/43/36/555964336.db2.gz ITFLMDZTGCLIHZ-UHFFFAOYSA-N 1 1 464.566 4.191 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(-c5ccno5)cc4)CC3)n2)cc1OC ZINC000015726509 555965149 /nfs/dbraw/zinc/96/51/49/555965149.db2.gz AEHCIGQDTVSLCE-UHFFFAOYSA-N 1 1 489.532 4.260 50 0 JIAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022908273 555965697 /nfs/dbraw/zinc/96/56/97/555965697.db2.gz LWBJWYIECNFYED-HXUWFJFHSA-N 1 1 457.958 4.395 50 0 JIAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022908273 555965700 /nfs/dbraw/zinc/96/57/00/555965700.db2.gz LWBJWYIECNFYED-HXUWFJFHSA-N 1 1 457.958 4.395 50 0 JIAAMO CCOC(=O)C1CC[NH+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccccc2)CC1 ZINC000012453537 555981112 /nfs/dbraw/zinc/98/11/12/555981112.db2.gz UPXQUUBPBWONFM-UHFFFAOYSA-N 1 1 481.574 4.110 50 0 JIAAMO Cc1ccc(Cn2c(SCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc3ccccc3c2=O)cc1 ZINC000023042817 556001754 /nfs/dbraw/zinc/00/17/54/556001754.db2.gz PRFBMDYIZHMQKF-DEOSSOPVSA-N 1 1 498.652 4.236 50 0 JIAAMO Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCC[C@@H]4CCC[N@H+]4C)c3)n2)o1 ZINC000023336008 556045514 /nfs/dbraw/zinc/04/55/14/556045514.db2.gz TWHOSDBGQWAGNA-FQEVSTJZSA-N 1 1 450.587 4.033 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000023338516 556047655 /nfs/dbraw/zinc/04/76/55/556047655.db2.gz RDVLEGDGKRWUMH-PEWONRNSSA-N 1 1 477.649 4.174 50 0 JIAAMO COC(=O)CC[C@H]1CN(C/C=C/c2ccccc2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000023338516 556047659 /nfs/dbraw/zinc/04/76/59/556047659.db2.gz RDVLEGDGKRWUMH-PEWONRNSSA-N 1 1 477.649 4.174 50 0 JIAAMO CCOC(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(CC)cc4)oc3C)C2)CC1 ZINC000015937031 556075368 /nfs/dbraw/zinc/07/53/68/556075368.db2.gz NBVQTGYWYLPCDO-QFIPXVFZSA-N 1 1 482.625 4.162 50 0 JIAAMO CCn1c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012579903 556078457 /nfs/dbraw/zinc/07/84/57/556078457.db2.gz KKFYZWBKHZVSFP-VWLOTQADSA-N 1 1 496.658 4.018 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000015959154 556090710 /nfs/dbraw/zinc/09/07/10/556090710.db2.gz PICJIFBNVOJSFY-ABCBPOOCSA-N 1 1 477.564 4.318 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000184 556104692 /nfs/dbraw/zinc/10/46/92/556104692.db2.gz ANFRBLULAUNXFI-QYUDBREXSA-N 1 1 489.881 4.098 50 0 JIAAMO O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023968153 556108138 /nfs/dbraw/zinc/10/81/38/556108138.db2.gz XAIPJEVHUHNONU-UHFFFAOYSA-N 1 1 489.641 4.019 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000016011846 556110609 /nfs/dbraw/zinc/11/06/09/556110609.db2.gz JOPUQPAPCXEEHS-NCZAXEGCSA-N 1 1 463.537 4.010 50 0 JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000016043012 556122551 /nfs/dbraw/zinc/12/25/51/556122551.db2.gz UCEGJTAQUBKYER-UGIARPQZSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000016043012 556122552 /nfs/dbraw/zinc/12/25/52/556122552.db2.gz UCEGJTAQUBKYER-UGIARPQZSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO O=S(=O)(c1ccc(N2CC[NH+](Cc3ccsc3)CC2)nc1)N1CCC(Cc2ccccc2)CC1 ZINC000012912884 556132138 /nfs/dbraw/zinc/13/21/38/556132138.db2.gz KTSGNTWKCREHSL-UHFFFAOYSA-N 1 1 496.702 4.109 50 0 JIAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCc2ccccc21 ZINC000024977100 556167120 /nfs/dbraw/zinc/16/71/20/556167120.db2.gz JQQANHMVGAWCJM-OAQYLSRUSA-N 1 1 462.015 4.072 50 0 JIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4Br)CC3)n2)cc1 ZINC000017012556 556202461 /nfs/dbraw/zinc/20/24/61/556202461.db2.gz GTHMIVXCDOHTOQ-UHFFFAOYSA-N 1 1 482.382 4.262 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)[nH+]1 ZINC000017121368 556219499 /nfs/dbraw/zinc/21/94/99/556219499.db2.gz CABLUGCFXWLKEL-UHFFFAOYSA-N 1 1 465.623 4.471 50 0 JIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017306050 556253633 /nfs/dbraw/zinc/25/36/33/556253633.db2.gz MAKUJGOMZSLTNY-LJQANCHMSA-N 1 1 454.534 4.151 50 0 JIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017306050 556253634 /nfs/dbraw/zinc/25/36/34/556253634.db2.gz MAKUJGOMZSLTNY-LJQANCHMSA-N 1 1 454.534 4.151 50 0 JIAAMO COc1ccc(C(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c2ccc(OC)cc2)cc1 ZINC000027572003 556298526 /nfs/dbraw/zinc/29/85/26/556298526.db2.gz OHXVACDXEUPRAS-QHCPKHFHSA-N 1 1 487.600 4.260 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000018435867 556321172 /nfs/dbraw/zinc/32/11/72/556321172.db2.gz IOWYQQPKKPAEHG-DOGKRZLPSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000018435867 556321178 /nfs/dbraw/zinc/32/11/78/556321178.db2.gz IOWYQQPKKPAEHG-DOGKRZLPSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000008617151 562948207 /nfs/dbraw/zinc/94/82/07/562948207.db2.gz QIDKEOUPLOOIRV-MUUNZHRXSA-N 1 1 485.584 4.424 50 0 aggregator JIAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000033023428 563110449 /nfs/dbraw/zinc/11/04/49/563110449.db2.gz ZEFCQXUMZPCNOZ-UHFFFAOYSA-N 1 1 485.650 4.415 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036386764 563128898 /nfs/dbraw/zinc/12/88/98/563128898.db2.gz AUKQXFDZQMHOGU-UHFFFAOYSA-N 1 1 493.629 4.199 50 0 JIAAMO COc1cc(Cl)c(CN2CCOc3ccc(C[N@H+]4CCCC[C@@H]4CO)cc3C2)cc1OC ZINC000055042674 563205931 /nfs/dbraw/zinc/20/59/31/563205931.db2.gz RYNRQPNECUOBDH-OAQYLSRUSA-N 1 1 461.002 4.099 50 0 JIAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]Cc2ccccc2OC)c1 ZINC000061879168 563209619 /nfs/dbraw/zinc/20/96/19/563209619.db2.gz KLWZXEWBRVYILZ-UHFFFAOYSA-N 1 1 488.009 4.292 50 0 JIAAMO C[N@H+](Cc1ccsc1)Cc1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)c(=O)[nH]1 ZINC000055042355 569590455 /nfs/dbraw/zinc/59/04/55/569590455.db2.gz ZGWXLDRDPSOJLR-UHFFFAOYSA-N 1 1 450.589 4.122 50 0 JIAAMO C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)c(=O)[nH]1 ZINC000055042355 569590456 /nfs/dbraw/zinc/59/04/56/569590456.db2.gz ZGWXLDRDPSOJLR-UHFFFAOYSA-N 1 1 450.589 4.122 50 0 JIAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+](C)Cc1ccc2nccnc2c1 ZINC000055576060 569592240 /nfs/dbraw/zinc/59/22/40/569592240.db2.gz NNSGEABQIUXFSR-UHFFFAOYSA-N 1 1 450.546 4.182 50 0 JIAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000055576060 569592241 /nfs/dbraw/zinc/59/22/41/569592241.db2.gz NNSGEABQIUXFSR-UHFFFAOYSA-N 1 1 450.546 4.182 50 0 JIAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000057015881 569593874 /nfs/dbraw/zinc/59/38/74/569593874.db2.gz JZSLTYFERHGGKP-CLOONOSVSA-N 1 1 465.619 4.447 50 0 JIAAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000057015891 569593900 /nfs/dbraw/zinc/59/39/00/569593900.db2.gz FFZVPUFSAAPHDX-AFMDSPMNSA-N 1 1 495.645 4.456 50 0 JIAAMO COC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414909 569600467 /nfs/dbraw/zinc/60/04/67/569600467.db2.gz UMGXXEYZHWSUCA-QHCPKHFHSA-N 1 1 453.970 4.076 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCN(C(=O)Cc4ccccn4)CC3)c2c1C ZINC000062590022 569612348 /nfs/dbraw/zinc/61/23/48/569612348.db2.gz RBTNEMFEDPJWPK-UHFFFAOYSA-N 1 1 492.693 4.216 50 0 JIAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccccc3C[NH+]3CCOCC3)cc2)cc1 ZINC000062591898 569612485 /nfs/dbraw/zinc/61/24/85/569612485.db2.gz ADCHDMYNUMKZPK-UHFFFAOYSA-N 1 1 488.588 4.220 50 0 JIAAMO COc1cc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000033014196 569617904 /nfs/dbraw/zinc/61/79/04/569617904.db2.gz TWTHDFMRSFLSJU-UHFFFAOYSA-N 1 1 492.580 4.217 50 0 JIAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801970 569631668 /nfs/dbraw/zinc/63/16/68/569631668.db2.gz HLXKHRROBCSAFR-UHFFFAOYSA-N 1 1 481.622 4.464 50 0 JIAAMO CCn1c2c(C(=O)Nc3ccc(C(C)C)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835866 569636505 /nfs/dbraw/zinc/63/65/05/569636505.db2.gz HQLMLXNOYIVOQK-UHFFFAOYSA-N 1 1 469.589 4.450 50 0 JIAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667481 569640456 /nfs/dbraw/zinc/64/04/56/569640456.db2.gz TZCUYSBFKVMWRR-RBTNQOKQSA-N 1 1 489.591 4.104 50 0 JIAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667481 569640457 /nfs/dbraw/zinc/64/04/57/569640457.db2.gz TZCUYSBFKVMWRR-RBTNQOKQSA-N 1 1 489.591 4.104 50 0 JIAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(C(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000034676652 569641430 /nfs/dbraw/zinc/64/14/30/569641430.db2.gz DWPCTPFWZDGEGN-UHFFFAOYSA-N 1 1 481.959 4.012 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683979 569644798 /nfs/dbraw/zinc/64/47/98/569644798.db2.gz AKPMZDWSRCFDDE-UHFFFAOYSA-N 1 1 454.548 4.177 50 0 JIAAMO COc1cccc(C[N@H+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)C[C@@H]2C)c1 ZINC000034707999 569650133 /nfs/dbraw/zinc/65/01/33/569650133.db2.gz CQLLLYDRKTWAQQ-SFHVURJKSA-N 1 1 454.534 4.257 50 0 JIAAMO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787261 569659739 /nfs/dbraw/zinc/65/97/39/569659739.db2.gz VAGRFOADOQAARJ-SANMLTNESA-N 1 1 479.671 4.061 50 0 JIAAMO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787261 569659741 /nfs/dbraw/zinc/65/97/41/569659741.db2.gz VAGRFOADOQAARJ-SANMLTNESA-N 1 1 479.671 4.061 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@H](C)C2)cc1 ZINC000034829707 569663159 /nfs/dbraw/zinc/66/31/59/569663159.db2.gz NGHDRQPKISPZJB-DVECYGJZSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@H](C)C2)cc1 ZINC000034829707 569663161 /nfs/dbraw/zinc/66/31/61/569663161.db2.gz NGHDRQPKISPZJB-DVECYGJZSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000034829596 569663245 /nfs/dbraw/zinc/66/32/45/569663245.db2.gz WRNVVAHGDIDAJU-IDISGSTGSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000034829596 569663246 /nfs/dbraw/zinc/66/32/46/569663246.db2.gz WRNVVAHGDIDAJU-IDISGSTGSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@H](C)C1 ZINC000034829841 569663321 /nfs/dbraw/zinc/66/33/21/569663321.db2.gz AMAKCKIIEHOEBB-IBVKSMDESA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@H](C)C1 ZINC000034829841 569663322 /nfs/dbraw/zinc/66/33/22/569663322.db2.gz AMAKCKIIEHOEBB-IBVKSMDESA-N 1 1 465.663 4.254 50 0 JIAAMO CC(C)(C)C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034830037 569663667 /nfs/dbraw/zinc/66/36/67/569663667.db2.gz MBKQOTNEMPQGAO-XMMPIXPASA-N 1 1 453.652 4.193 50 0 JIAAMO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)nn2)cc1 ZINC000035398117 569688840 /nfs/dbraw/zinc/68/88/40/569688840.db2.gz NYFWWLFKZAJJKJ-RUZDIDTESA-N 1 1 457.622 4.307 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)C[C@H]2C)c1 ZINC000035404157 569691521 /nfs/dbraw/zinc/69/15/21/569691521.db2.gz QHYBIHBIGGOEIS-HSZRJFAPSA-N 1 1 455.606 4.007 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)C[C@H]2C)c1 ZINC000035404157 569691522 /nfs/dbraw/zinc/69/15/22/569691522.db2.gz QHYBIHBIGGOEIS-HSZRJFAPSA-N 1 1 455.606 4.007 50 0 JIAAMO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000069948271 569694129 /nfs/dbraw/zinc/69/41/29/569694129.db2.gz PSUFDPBLNQYAOH-CYBMUJFWSA-N 1 1 453.406 4.222 50 0 JIAAMO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000069948271 569694130 /nfs/dbraw/zinc/69/41/30/569694130.db2.gz PSUFDPBLNQYAOH-CYBMUJFWSA-N 1 1 453.406 4.222 50 0 JIAAMO O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000085876722 569715855 /nfs/dbraw/zinc/71/58/55/569715855.db2.gz YNRHXCRSERWEKG-VYIQKETKSA-N 1 1 461.562 4.062 50 0 biogenic JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851676 569716586 /nfs/dbraw/zinc/71/65/86/569716586.db2.gz KPDRMPVLXMQCKG-SAQZZPNQSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851676 569716587 /nfs/dbraw/zinc/71/65/87/569716587.db2.gz KPDRMPVLXMQCKG-SAQZZPNQSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035852045 569716723 /nfs/dbraw/zinc/71/67/23/569716723.db2.gz PHNKIEJBFCVDLE-UNNNGVNHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035852045 569716724 /nfs/dbraw/zinc/71/67/24/569716724.db2.gz PHNKIEJBFCVDLE-UNNNGVNHSA-N 1 1 490.774 4.386 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)cc1OC ZINC000035870110 569718114 /nfs/dbraw/zinc/71/81/14/569718114.db2.gz GNQYFLBKTXAFGZ-AOYPEHQESA-N 1 1 487.600 4.084 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000035911140 569726401 /nfs/dbraw/zinc/72/64/01/569726401.db2.gz IJDNGSDGRNZCKZ-UKILVPOCSA-N 1 1 456.030 4.374 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043223 569754581 /nfs/dbraw/zinc/75/45/81/569754581.db2.gz AUPRXLSCIZFGGY-MZNJEOGPSA-N 1 1 455.599 4.298 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043223 569754582 /nfs/dbraw/zinc/75/45/82/569754582.db2.gz AUPRXLSCIZFGGY-MZNJEOGPSA-N 1 1 455.599 4.298 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036256930 569758827 /nfs/dbraw/zinc/75/88/27/569758827.db2.gz CIVHMCANLIANCG-PXDATVDWSA-N 1 1 489.104 4.037 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000036343966 569766707 /nfs/dbraw/zinc/76/67/07/569766707.db2.gz MRWQCAVWYXROEM-SQJMNOBHSA-N 1 1 481.568 4.177 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000036343966 569766708 /nfs/dbraw/zinc/76/67/08/569766708.db2.gz MRWQCAVWYXROEM-SQJMNOBHSA-N 1 1 481.568 4.177 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccccc2C)C1 ZINC000036345717 569768254 /nfs/dbraw/zinc/76/82/54/569768254.db2.gz KRYYMDZTQPHXKO-YKSBVNFPSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccccc2C)C1 ZINC000036345717 569768255 /nfs/dbraw/zinc/76/82/55/569768255.db2.gz KRYYMDZTQPHXKO-YKSBVNFPSA-N 1 1 451.542 4.087 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036345986 569768614 /nfs/dbraw/zinc/76/86/14/569768614.db2.gz CABBBUASQFYROY-JOCHJYFZSA-N 1 1 471.573 4.346 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036345986 569768615 /nfs/dbraw/zinc/76/86/15/569768615.db2.gz CABBBUASQFYROY-JOCHJYFZSA-N 1 1 471.573 4.346 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346413 569769681 /nfs/dbraw/zinc/76/96/81/569769681.db2.gz OTLBJIYRLJFSRN-NOZRDPDXSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346413 569769683 /nfs/dbraw/zinc/76/96/83/569769683.db2.gz OTLBJIYRLJFSRN-NOZRDPDXSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346575 569770100 /nfs/dbraw/zinc/77/01/00/569770100.db2.gz FUKIITUTMZRMPF-OAQYLSRUSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346575 569770101 /nfs/dbraw/zinc/77/01/01/569770101.db2.gz FUKIITUTMZRMPF-OAQYLSRUSA-N 1 1 475.536 4.097 50 0 JIAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)c3c(C)noc3n2)cc1 ZINC000036613996 569778111 /nfs/dbraw/zinc/77/81/11/569778111.db2.gz GDWZATWGMGWSSN-UHFFFAOYSA-N 1 1 456.546 4.473 50 0 JIAAMO COc1ccccc1N1CC[NH+](Cc2coc(=O)c(C[NH+]3CCC(c4ccccc4)CC3)c2[O-])CC1 ZINC000101410010 569797027 /nfs/dbraw/zinc/79/70/27/569797027.db2.gz YHJHVMVQCAUFQF-UHFFFAOYSA-N 1 1 489.616 4.056 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)c(Cl)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101878879 569806774 /nfs/dbraw/zinc/80/67/74/569806774.db2.gz JQTOGCNZIKCFSB-UHFFFAOYSA-N 1 1 464.997 4.355 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)c(Cl)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878879 569806776 /nfs/dbraw/zinc/80/67/76/569806776.db2.gz JQTOGCNZIKCFSB-UHFFFAOYSA-N 1 1 464.997 4.355 50 0 JIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3ccccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000039345483 569809364 /nfs/dbraw/zinc/80/93/64/569809364.db2.gz NXEUHYNOOZVOSO-ZNXVIZGJSA-N 1 1 493.563 4.100 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](C2CCN(c3ccc(NC(=O)c4ccc(OC)cc4)cc3)CC2)C1 ZINC000039371999 569809461 /nfs/dbraw/zinc/80/94/61/569809461.db2.gz XQUHGECKWHICLT-QHCPKHFHSA-N 1 1 492.664 4.497 50 0 JIAAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000040142746 569817699 /nfs/dbraw/zinc/81/76/99/569817699.db2.gz YEYSFRPVYVFLHY-QHCPKHFHSA-N 1 1 453.652 4.190 50 0 JIAAMO CCc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(Br)cn4)CC3)n2)cc1 ZINC000040149608 569819271 /nfs/dbraw/zinc/81/92/71/569819271.db2.gz FLSOXIHOCRHMFR-UHFFFAOYSA-N 1 1 470.371 4.307 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@H+](Cc1ccccc1)CC2 ZINC000102845992 569824295 /nfs/dbraw/zinc/82/42/95/569824295.db2.gz DQSRTPBPZAYJRH-UHFFFAOYSA-N 1 1 480.996 4.226 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@@H+](Cc1ccccc1)CC2 ZINC000102845992 569824296 /nfs/dbraw/zinc/82/42/96/569824296.db2.gz DQSRTPBPZAYJRH-UHFFFAOYSA-N 1 1 480.996 4.226 50 0 JIAAMO CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)NCC[C@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940548 569829498 /nfs/dbraw/zinc/82/94/98/569829498.db2.gz GWKZRRORVZDWMP-DVECYGJZSA-N 1 1 482.650 4.124 50 0 JIAAMO Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCC[N@@H+](C)CC4)N32)cc1 ZINC000103230520 569833899 /nfs/dbraw/zinc/83/38/99/569833899.db2.gz PRVKVTDDRUXUCI-XMMPIXPASA-N 1 1 482.650 4.076 50 0 JIAAMO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919190 569847111 /nfs/dbraw/zinc/84/71/11/569847111.db2.gz JAHKQZFOCBYNFL-WPFOTENUSA-N 1 1 491.529 4.003 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104983954 569848550 /nfs/dbraw/zinc/84/85/50/569848550.db2.gz KBPMFSWVNOWDOG-AZGAKELHSA-N 1 1 460.574 4.439 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000105003816 569849467 /nfs/dbraw/zinc/84/94/67/569849467.db2.gz SUSOTSAFUJUOSS-XUZZJYLKSA-N 1 1 474.667 4.059 50 0 JIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)cc1 ZINC000105004196 569849638 /nfs/dbraw/zinc/84/96/38/569849638.db2.gz JHTRXDIXZHKHOX-RDGATRHJSA-N 1 1 488.694 4.305 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105008443 569850197 /nfs/dbraw/zinc/85/01/97/569850197.db2.gz DNDOJRYNVZIHCY-ZJSXRUAMSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105008443 569850199 /nfs/dbraw/zinc/85/01/99/569850199.db2.gz DNDOJRYNVZIHCY-ZJSXRUAMSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2C)C1 ZINC000105009739 569850568 /nfs/dbraw/zinc/85/05/68/569850568.db2.gz XJCYDSUNUYRCBK-GBXCKJPGSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2C)C1 ZINC000105009739 569850569 /nfs/dbraw/zinc/85/05/69/569850569.db2.gz XJCYDSUNUYRCBK-GBXCKJPGSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010146 569850640 /nfs/dbraw/zinc/85/06/40/569850640.db2.gz DTCGMNNVVIKUBA-PXDATVDWSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010146 569850642 /nfs/dbraw/zinc/85/06/42/569850642.db2.gz DTCGMNNVVIKUBA-PXDATVDWSA-N 1 1 465.569 4.395 50 0 JIAAMO COc1ccc(C[N@@H+](C[C@H](C)O)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000105373464 569852930 /nfs/dbraw/zinc/85/29/30/569852930.db2.gz BEGSCXDXADKEKJ-JABKAWBMSA-N 1 1 457.611 4.201 50 0 biogenic JIAAMO CC(C)N(C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000107089512 569856212 /nfs/dbraw/zinc/85/62/12/569856212.db2.gz ILCCEFSVRFWGOB-YADHBBJMSA-N 1 1 488.673 4.208 50 0 JIAAMO CC(C)N(C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000107089512 569856213 /nfs/dbraw/zinc/85/62/13/569856213.db2.gz ILCCEFSVRFWGOB-YADHBBJMSA-N 1 1 488.673 4.208 50 0 JIAAMO CC(C)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@@H](C)O ZINC000169677075 569868451 /nfs/dbraw/zinc/86/84/51/569868451.db2.gz GULHOFFKYJGVCM-DYESRHJHSA-N 1 1 451.032 4.245 50 0 JIAAMO O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@@H]12 ZINC000169678711 569869152 /nfs/dbraw/zinc/86/91/52/569869152.db2.gz RNSQOSWPTNFNNJ-UPVQGACJSA-N 1 1 472.555 4.412 50 0 JIAAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@@H]12 ZINC000169678710 569869191 /nfs/dbraw/zinc/86/91/91/569869191.db2.gz RNSQOSWPTNFNNJ-VWNXMTODSA-N 1 1 472.555 4.412 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)cc1 ZINC000169680095 569870233 /nfs/dbraw/zinc/87/02/33/569870233.db2.gz NGHDRQPKISPZJB-YADARESESA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)cc1 ZINC000169680095 569870234 /nfs/dbraw/zinc/87/02/34/569870234.db2.gz NGHDRQPKISPZJB-YADARESESA-N 1 1 453.652 4.109 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC(C)C ZINC000169680364 569870494 /nfs/dbraw/zinc/87/04/94/569870494.db2.gz SZMXNXCZQRPVEW-RCZVLFRGSA-N 1 1 488.694 4.484 50 0 JIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COC(C)C)C(C)C)cc1 ZINC000169681962 569870935 /nfs/dbraw/zinc/87/09/35/569870935.db2.gz LBKGXMYTMVBARQ-ZJSXRUAMSA-N 1 1 474.667 4.058 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000230138133 570045968 /nfs/dbraw/zinc/04/59/68/570045968.db2.gz UBYONQYODIYKGW-RSXGOPAZSA-N 1 1 479.621 4.118 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000240444264 570052883 /nfs/dbraw/zinc/05/28/83/570052883.db2.gz FXBOTGJZPGRWHN-NOTUOJBMSA-N 1 1 479.621 4.097 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000240444265 570052935 /nfs/dbraw/zinc/05/29/35/570052935.db2.gz FXBOTGJZPGRWHN-QSEAXJEQSA-N 1 1 479.621 4.097 50 0 JIAAMO CCN1CC[NH+](C[C@H](O)CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)CC1 ZINC000245242266 570058737 /nfs/dbraw/zinc/05/87/37/570058737.db2.gz TWVJVHCTCLPIGE-RBJSKKJNSA-N 1 1 464.698 4.380 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245245215 570058867 /nfs/dbraw/zinc/05/88/67/570058867.db2.gz CBLIVWJSXAKKQY-XMODTWTHSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245245215 570058869 /nfs/dbraw/zinc/05/88/69/570058869.db2.gz CBLIVWJSXAKKQY-XMODTWTHSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245281269 570062304 /nfs/dbraw/zinc/06/23/04/570062304.db2.gz WYVSJIRABXPAHG-ZEQKJWHPSA-N 1 1 464.537 4.269 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)c1 ZINC000245326592 570064849 /nfs/dbraw/zinc/06/48/49/570064849.db2.gz GEYNMWSTYSFIET-NFQMXDRXSA-N 1 1 489.641 4.077 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)c1 ZINC000245326592 570064851 /nfs/dbraw/zinc/06/48/51/570064851.db2.gz GEYNMWSTYSFIET-NFQMXDRXSA-N 1 1 489.641 4.077 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245328601 570065901 /nfs/dbraw/zinc/06/59/01/570065901.db2.gz VNNMDLXHBZMVQV-LFYAFONDSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245328601 570065903 /nfs/dbraw/zinc/06/59/03/570065903.db2.gz VNNMDLXHBZMVQV-LFYAFONDSA-N 1 1 471.944 4.233 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000245330644 570067012 /nfs/dbraw/zinc/06/70/12/570067012.db2.gz ZXNHOOYOSGDGRG-ZJSXRUAMSA-N 1 1 492.657 4.138 50 0 JIAAMO COc1cc(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)c(OC)cc1Cl ZINC000247830119 570069825 /nfs/dbraw/zinc/06/98/25/570069825.db2.gz HEAOYAYVMKWMSK-FGZHOGPDSA-N 1 1 458.002 4.425 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000248080585 570073502 /nfs/dbraw/zinc/07/35/02/570073502.db2.gz JQICXOFZQSMVNL-CJFMBICVSA-N 1 1 467.679 4.500 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000249682818 570078449 /nfs/dbraw/zinc/07/84/49/570078449.db2.gz COAJBTREZTZKON-SFHVURJKSA-N 1 1 455.400 4.347 50 0 JIAAMO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3CC)C2)CC1 ZINC000249694998 570078683 /nfs/dbraw/zinc/07/86/83/570078683.db2.gz QCQOBWFDRIIOGH-HSZRJFAPSA-N 1 1 459.638 4.179 50 0 JIAAMO CC(C)N(C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000252458448 570081032 /nfs/dbraw/zinc/08/10/32/570081032.db2.gz ILCCEFSVRFWGOB-FGZHOGPDSA-N 1 1 488.673 4.208 50 0 JIAAMO CC(C)N(C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000252458448 570081034 /nfs/dbraw/zinc/08/10/34/570081034.db2.gz ILCCEFSVRFWGOB-FGZHOGPDSA-N 1 1 488.673 4.208 50 0 JIAAMO Cc1ccc(C)c(N2CC[NH+]([C@H]3CCCC[C@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000009408729 194751387 /nfs/dbraw/zinc/75/13/87/194751387.db2.gz DTNXXURHARMYBF-PKTZIBPZSA-N 1 1 462.059 4.369 50 0 JIAAMO CCCC[N@@H+](CCCNC(=O)Cn1nc(CC)n2c3cc(C)sc3cc2c1=O)Cc1ccccc1 ZINC000009848645 194992980 /nfs/dbraw/zinc/99/29/80/194992980.db2.gz UJOFCLMUSALWEA-UHFFFAOYSA-N 1 1 493.677 4.390 50 0 JIAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccc(OCC)cc4)CC3)C2=O)cc1 ZINC000009934122 195026510 /nfs/dbraw/zinc/02/65/10/195026510.db2.gz YMPCNYNZHCRYMM-RUZDIDTESA-N 1 1 450.579 4.461 50 0 JIAAMO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000012768352 195115609 /nfs/dbraw/zinc/11/56/09/195115609.db2.gz QRBHXQAZFHWQPW-UHFFFAOYSA-N 1 1 467.422 4.213 50 0 JIAAMO C[NH+](C)[C@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1Cl ZINC000012784587 195126793 /nfs/dbraw/zinc/12/67/93/195126793.db2.gz DJZYKXWSEUUNBH-QGZVFWFLSA-N 1 1 473.023 4.259 50 0 JIAAMO C[NH+](C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccc1Cl ZINC000012790955 195131974 /nfs/dbraw/zinc/13/19/74/195131974.db2.gz FNHJZIGHDMUPSR-NHCUHLMSSA-N 1 1 456.011 4.162 50 0 JIAAMO COc1ccc(C[N@@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000012865921 195161381 /nfs/dbraw/zinc/16/13/81/195161381.db2.gz DFILFLBFZIMCIO-SPHNKFIWSA-N 1 1 457.611 4.202 50 0 biogenic JIAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](CCc2ccccn2)CC1)occ3C(C)(C)C ZINC000020650293 195195695 /nfs/dbraw/zinc/19/56/95/195195695.db2.gz QTIDTXHXQZXIPS-UHFFFAOYSA-N 1 1 487.600 4.470 50 0 JIAAMO COc1ccc(CNC(=O)CNC(=S)N2CC[N@@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)cc1 ZINC000020687343 195205532 /nfs/dbraw/zinc/20/55/32/195205532.db2.gz OHZLADDSKBSEGK-UHFFFAOYSA-N 1 1 494.705 4.015 50 0 JIAAMO O=C(Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000020746084 195215204 /nfs/dbraw/zinc/21/52/04/195215204.db2.gz KZMFQKBKXJBQNY-UHFFFAOYSA-N 1 1 483.612 4.332 50 0 JIAAMO O=C(CCc1ccc2c(c1)OCO2)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000020913745 195246190 /nfs/dbraw/zinc/24/61/90/195246190.db2.gz FXBAAWCHYWAOSZ-XMMPIXPASA-N 1 1 450.560 4.162 50 0 JIAAMO O=C(CCc1ccc2c(c1)OCO2)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000020913745 195246193 /nfs/dbraw/zinc/24/61/93/195246193.db2.gz FXBAAWCHYWAOSZ-XMMPIXPASA-N 1 1 450.560 4.162 50 0 JIAAMO Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000020999369 195265454 /nfs/dbraw/zinc/26/54/54/195265454.db2.gz MDENEVTWHNDIHI-KRWDZBQOSA-N 1 1 457.500 4.155 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)CN1c2ccccc2-n2cccc2SCC1=O)Cc1cccs1 ZINC000021088733 195273837 /nfs/dbraw/zinc/27/38/37/195273837.db2.gz WKCZGOJCGGZETB-LJQANCHMSA-N 1 1 482.675 4.394 50 0 JIAAMO Clc1cccc([C@H](c2ccccc2)[NH+]2CCN(c3nn4nnnc4c4ccccc43)CC2)c1 ZINC000021367121 195300195 /nfs/dbraw/zinc/30/01/95/195300195.db2.gz QZLVIVGRQRGPPJ-QHCPKHFHSA-N 1 1 455.953 4.238 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934172 195335970 /nfs/dbraw/zinc/33/59/70/195335970.db2.gz QPFMBMNGGSCOGG-UHFFFAOYSA-N 1 1 465.601 4.235 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057478343 195343461 /nfs/dbraw/zinc/34/34/61/195343461.db2.gz SKPKZPAOOPDQEQ-DEOSSOPVSA-N 1 1 467.997 4.466 50 0 JIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000058323229 195377208 /nfs/dbraw/zinc/37/72/08/195377208.db2.gz FXBGRWYWRSZKDJ-GOSISDBHSA-N 1 1 452.555 4.207 50 0 JIAAMO CC(=O)c1cc(C(=O)NCc2nc(-c3cccc(NC(=O)[C@@H]4CCC[N@H+](C)C4)c3)oc2C)cs1 ZINC000014881361 518269955 /nfs/dbraw/zinc/26/99/55/518269955.db2.gz LSXLLHSZELZNGM-GOSISDBHSA-N 1 1 480.590 4.124 50 0 JIAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014995078 519247899 /nfs/dbraw/zinc/24/78/99/519247899.db2.gz QNFRBPZEAWGUSD-LJQANCHMSA-N 1 1 475.515 4.465 50 0 JIAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014995078 519247912 /nfs/dbraw/zinc/24/79/12/519247912.db2.gz QNFRBPZEAWGUSD-LJQANCHMSA-N 1 1 475.515 4.465 50 0 JIAAMO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C1 ZINC000012279223 519654311 /nfs/dbraw/zinc/65/43/11/519654311.db2.gz IHKWOIODTIKHDZ-ZEQKJWHPSA-N 1 1 472.633 4.423 50 0 JIAAMO CC(C)[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4C(F)(F)F)n3)c2C2CC2)CC1 ZINC000014957196 519681693 /nfs/dbraw/zinc/68/16/93/519681693.db2.gz BOIAQEIXDGJWRX-UHFFFAOYSA-N 1 1 484.526 4.392 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(Br)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000033277338 519869015 /nfs/dbraw/zinc/86/90/15/519869015.db2.gz DBFOWAQTJQUGLX-UHFFFAOYSA-N 1 1 495.421 4.326 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(Br)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000033277338 519869017 /nfs/dbraw/zinc/86/90/17/519869017.db2.gz DBFOWAQTJQUGLX-UHFFFAOYSA-N 1 1 495.421 4.326 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(NC(C)=O)s2)CCO3)C1 ZINC000014955380 520539521 /nfs/dbraw/zinc/53/95/21/520539521.db2.gz AMVOWMNDMFYAKE-QFIPXVFZSA-N 1 1 498.693 4.182 50 0 JIAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036308994 520797065 /nfs/dbraw/zinc/79/70/65/520797065.db2.gz JLIPPFYTAUXHIZ-QPPBQGQZSA-N 1 1 474.667 4.061 50 0 JIAAMO CC[N@@H+](CCNC(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1)Cc1ccccc1 ZINC000045337845 521052046 /nfs/dbraw/zinc/05/20/46/521052046.db2.gz PDSVVVWFVVRKBV-UHFFFAOYSA-N 1 1 457.622 4.307 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1)Cc1ccccc1 ZINC000064929070 521067990 /nfs/dbraw/zinc/06/79/90/521067990.db2.gz XQVZFZQJMXQBBC-QHCPKHFHSA-N 1 1 461.585 4.137 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COC(C)C ZINC000036309403 521535600 /nfs/dbraw/zinc/53/56/00/521535600.db2.gz GEKJOAXKPIGCTB-UPVQGACJSA-N 1 1 488.694 4.368 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036309807 521536327 /nfs/dbraw/zinc/53/63/27/521536327.db2.gz WPNRCYREFWSVRD-QPPBQGQZSA-N 1 1 492.657 4.138 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036309805 521536491 /nfs/dbraw/zinc/53/64/91/521536491.db2.gz WPNRCYREFWSVRD-URXFXBBRSA-N 1 1 492.657 4.138 50 0 JIAAMO CCN1CCN(C(=O)c2ccc(N3CCC([N@H+]4CCC[C@H](OCc5ccccc5)C4)CC3)cc2)CC1 ZINC000012213855 521669612 /nfs/dbraw/zinc/66/96/12/521669612.db2.gz KOKZWNZLXVZWQM-LJAQVGFWSA-N 1 1 490.692 4.114 50 0 JIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1 ZINC000022698991 521725238 /nfs/dbraw/zinc/72/52/38/521725238.db2.gz XDMHHFOCYZTQAG-UHFFFAOYSA-N 1 1 478.684 4.076 50 0 JIAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1 ZINC000022698991 521725239 /nfs/dbraw/zinc/72/52/39/521725239.db2.gz XDMHHFOCYZTQAG-UHFFFAOYSA-N 1 1 478.684 4.076 50 0 JIAAMO CCN1C[C@@H](C[N@@H+](C)Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1=O ZINC000012313900 521727372 /nfs/dbraw/zinc/72/73/72/521727372.db2.gz SBBIRZKKPJLVBF-LJQANCHMSA-N 1 1 450.558 4.296 50 0 JIAAMO COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022714070 522015668 /nfs/dbraw/zinc/01/56/68/522015668.db2.gz KWBDZNJMYWUIBN-UHFFFAOYSA-N 1 1 494.595 4.097 50 0 JIAAMO COc1cc(NC(=O)C2(N(C=O)C[C@H]3CCC[N@H+]4CCCC[C@H]34)CCCCC2)cc(OC)c1 ZINC000043883941 522647160 /nfs/dbraw/zinc/64/71/60/522647160.db2.gz JLPYNQCQUQSIHQ-HYBUGGRVSA-N 1 1 457.615 4.068 50 0 JIAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc(OC)c1 ZINC000021795834 522702351 /nfs/dbraw/zinc/70/23/51/522702351.db2.gz BQEARVBNRLGNSL-UHFFFAOYSA-N 1 1 464.526 4.026 50 0 JIAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000012219140 522819717 /nfs/dbraw/zinc/81/97/17/522819717.db2.gz RBBJJMLOYXCHKW-UHFFFAOYSA-N 1 1 450.583 4.293 50 0 JIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422478 523196316 /nfs/dbraw/zinc/19/63/16/523196316.db2.gz CKFNDFZAYUULMH-UHFFFAOYSA-N 1 1 485.348 4.034 50 0 JIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422478 523196328 /nfs/dbraw/zinc/19/63/28/523196328.db2.gz CKFNDFZAYUULMH-UHFFFAOYSA-N 1 1 485.348 4.034 50 0 JIAAMO CCn1c2c(C(=O)Nc3ccc(C(C)C)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967814 523254188 /nfs/dbraw/zinc/25/41/88/523254188.db2.gz BGMNLNWSCXUNFO-UHFFFAOYSA-N 1 1 499.615 4.459 50 0 JIAAMO CCn1c2c(C(=O)Nc3ccc(C(C)C)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967814 523254191 /nfs/dbraw/zinc/25/41/91/523254191.db2.gz BGMNLNWSCXUNFO-UHFFFAOYSA-N 1 1 499.615 4.459 50 0 JIAAMO CN1CCC([N@@H+](C)Cc2cccc(OC[C@H]3CCCN(C(=O)Cc4ccsc4)C3)c2)CC1 ZINC000012218848 523317455 /nfs/dbraw/zinc/31/74/55/523317455.db2.gz QJDIUGYSHFXVEQ-QHCPKHFHSA-N 1 1 455.668 4.134 50 0 JIAAMO CN(Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3ccsc3)C2)c1)C1CC[NH+](C)CC1 ZINC000012218848 523317462 /nfs/dbraw/zinc/31/74/62/523317462.db2.gz QJDIUGYSHFXVEQ-QHCPKHFHSA-N 1 1 455.668 4.134 50 0 JIAAMO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014748178 523715693 /nfs/dbraw/zinc/71/56/93/523715693.db2.gz PRDJCOGQHQFCCW-PYCFMQQDSA-N 1 1 452.986 4.023 50 0 JIAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3ccccc3Cl)C[C@H](O)COCC(C)C)C2)cc1 ZINC000036145837 523881222 /nfs/dbraw/zinc/88/12/22/523881222.db2.gz PNNNBHLZMCUODT-GMAHTHKFSA-N 1 1 461.002 4.377 50 0 JIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3ccccc3Cl)C[C@H](O)COCC(C)C)C2)cc1 ZINC000036145837 523881229 /nfs/dbraw/zinc/88/12/29/523881229.db2.gz PNNNBHLZMCUODT-GMAHTHKFSA-N 1 1 461.002 4.377 50 0 JIAAMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)ccc2OC)cc1 ZINC000016599762 523996026 /nfs/dbraw/zinc/99/60/26/523996026.db2.gz QKDNLMMUFOFUGC-HSZRJFAPSA-N 1 1 481.618 4.091 50 0 JIAAMO CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1CCC[N@H+]12 ZINC000020514166 524035917 /nfs/dbraw/zinc/03/59/17/524035917.db2.gz HWMDVCMUKMUZBX-XUHFEKCNSA-N 1 1 476.321 4.022 50 0 biogenic JIAAMO COc1ccccc1-c1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)n[nH]1 ZINC000012444431 524265445 /nfs/dbraw/zinc/26/54/45/524265445.db2.gz GVTLGHHVPFNVHF-UHFFFAOYSA-N 1 1 450.558 4.251 50 0 JIAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000035456328 524527945 /nfs/dbraw/zinc/52/79/45/524527945.db2.gz IFWROBVDZNIWAR-UHFFFAOYSA-N 1 1 494.595 4.424 50 0 JIAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000035456328 524527950 /nfs/dbraw/zinc/52/79/50/524527950.db2.gz IFWROBVDZNIWAR-UHFFFAOYSA-N 1 1 494.595 4.424 50 0 JIAAMO COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c2)cc1 ZINC000012525912 524692587 /nfs/dbraw/zinc/69/25/87/524692587.db2.gz VAJRONOMHLMBNN-DEOSSOPVSA-N 1 1 497.617 4.354 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[NH+](C)C ZINC000021557008 524731427 /nfs/dbraw/zinc/73/14/27/524731427.db2.gz QCMBBZVJSHZSQH-LJQANCHMSA-N 1 1 484.950 4.398 50 0 JIAAMO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993673 525324778 /nfs/dbraw/zinc/32/47/78/525324778.db2.gz NXLGLOFLNWIJEO-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCOCC1)c2Sc1ccc(Cl)cc1 ZINC000020466830 525597740 /nfs/dbraw/zinc/59/77/40/525597740.db2.gz QLNXPBJODJECRD-UHFFFAOYSA-N 1 1 459.999 4.433 50 0 JIAAMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280357 525715584 /nfs/dbraw/zinc/71/55/84/525715584.db2.gz UVDIPHRXDKMEGP-JOCHJYFZSA-N 1 1 499.659 4.322 50 0 JIAAMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280357 525715589 /nfs/dbraw/zinc/71/55/89/525715589.db2.gz UVDIPHRXDKMEGP-JOCHJYFZSA-N 1 1 499.659 4.322 50 0 JIAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000033139740 525828453 /nfs/dbraw/zinc/82/84/53/525828453.db2.gz MGMDTCORBSUWPT-UHFFFAOYSA-N 1 1 458.541 4.396 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000036145845 525924950 /nfs/dbraw/zinc/92/49/50/525924950.db2.gz OTQJFGCEUSJNMA-UKILVPOCSA-N 1 1 478.564 4.407 50 0 JIAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1 ZINC000008609666 526246561 /nfs/dbraw/zinc/24/65/61/526246561.db2.gz WGWKZRBUEGAIQL-UHFFFAOYSA-N 1 1 477.981 4.409 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1c(=O)n(-c2ccc(Cl)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000960 526250123 /nfs/dbraw/zinc/25/01/23/526250123.db2.gz OZXZYBFBVZJDRP-KRWDZBQOSA-N 1 1 470.013 4.250 50 0 JIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCC(Oc2cccnc2)CC1 ZINC000014978030 526496423 /nfs/dbraw/zinc/49/64/23/526496423.db2.gz JHYUOGPPEJVBJY-MHZLTWQESA-N 1 1 457.574 4.477 50 0 JIAAMO Cc1nc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)CCc4ccccn4)cc3)C2)cs1 ZINC000014881084 526640168 /nfs/dbraw/zinc/64/01/68/526640168.db2.gz DZGUQXVJBXYTHJ-QFIPXVFZSA-N 1 1 464.635 4.452 50 0 JIAAMO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000014991389 526811846 /nfs/dbraw/zinc/81/18/46/526811846.db2.gz YVXILCKYBCLCLJ-FQEVSTJZSA-N 1 1 469.589 4.361 50 0 JIAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC[N@H+](Cc1ccccc1)C2 ZINC000035456068 527094595 /nfs/dbraw/zinc/09/45/95/527094595.db2.gz CGOCIBBDOVAYQC-UHFFFAOYSA-N 1 1 490.913 4.421 50 0 JIAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456068 527094601 /nfs/dbraw/zinc/09/46/01/527094601.db2.gz CGOCIBBDOVAYQC-UHFFFAOYSA-N 1 1 490.913 4.421 50 0 JIAAMO O=C1[C@@H](Oc2ccc(F)cc2Cl)[C@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048303961 527108836 /nfs/dbraw/zinc/10/88/36/527108836.db2.gz UCWYFZIKBKMUGN-VXKWHMMOSA-N 1 1 468.903 4.201 50 0 JIAAMO O=c1[nH]c(C[N@H+](C[C@H](O)COCc2ccco2)C2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000036157040 527437141 /nfs/dbraw/zinc/43/71/41/527437141.db2.gz KVXCCEHIJZNOSQ-SFHVURJKSA-N 1 1 471.623 4.169 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002450328 554217484 /nfs/dbraw/zinc/21/74/84/554217484.db2.gz ZLTDJHBOQGFQHN-FXKZBUDASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002450328 554217487 /nfs/dbraw/zinc/21/74/87/554217487.db2.gz ZLTDJHBOQGFQHN-FXKZBUDASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[N@H+]5CCC[C@H]5C4)c(Cl)c3n2)cc1 ZINC000002755804 554328213 /nfs/dbraw/zinc/32/82/13/554328213.db2.gz CFEGBTRWZQSXOQ-HNNXBMFYSA-N 1 1 463.891 4.297 50 0 JIAAMO Cc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000008870916 554765883 /nfs/dbraw/zinc/76/58/83/554765883.db2.gz YXXDJIXTAQOECR-UHFFFAOYSA-N 1 1 451.470 4.327 50 0 JIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)cc(Br)c1O ZINC000008927999 554825680 /nfs/dbraw/zinc/82/56/80/554825680.db2.gz ZDTBBIMTJUUQLL-KRWDZBQOSA-N 1 1 452.374 4.422 50 0 JIAAMO Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCC[N@@H+]4CCCC[C@@H]4C)c(=O)c32)c1 ZINC000008933234 554827141 /nfs/dbraw/zinc/82/71/41/554827141.db2.gz GSNHYKJZQOSINM-QFIPXVFZSA-N 1 1 485.632 4.007 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)C(=O)c2ccccc2)cc1 ZINC000009097013 554895886 /nfs/dbraw/zinc/89/58/86/554895886.db2.gz MPZWZQXPEIPROY-VPUSJEBWSA-N 1 1 469.585 4.485 50 0 JIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000009151506 554938976 /nfs/dbraw/zinc/93/89/76/554938976.db2.gz TXNTYSKBWURSJF-CALCHBBNSA-N 1 1 456.974 4.257 50 0 JIAAMO COc1ccc(CNCc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c(OC)c1 ZINC000009265773 555041754 /nfs/dbraw/zinc/04/17/54/555041754.db2.gz YYQCQIRICCROGM-UHFFFAOYSA-N 1 1 496.681 4.091 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000009266362 555042598 /nfs/dbraw/zinc/04/25/98/555042598.db2.gz PDLCOTZAEQZHFB-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000009266362 555042600 /nfs/dbraw/zinc/04/26/00/555042600.db2.gz PDLCOTZAEQZHFB-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(OC)cc4OC)CC3)C2=O)cc1 ZINC000009287888 555061412 /nfs/dbraw/zinc/06/14/12/555061412.db2.gz AIQOXLPHNJHLNE-RUZDIDTESA-N 1 1 480.605 4.469 50 0 JIAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292388 555067586 /nfs/dbraw/zinc/06/75/86/555067586.db2.gz GZMZHCSKXFQDLW-RPBOFIJWSA-N 1 1 453.502 4.211 50 0 JIAAMO CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009309630 555084970 /nfs/dbraw/zinc/08/49/70/555084970.db2.gz PRZJRQGKRSDGEK-JWQCQUIFSA-N 1 1 453.502 4.293 50 0 JIAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)COc4ccc(Cl)cc4Cl)cc3s2)CC1 ZINC000009316264 555091386 /nfs/dbraw/zinc/09/13/86/555091386.db2.gz MGPKXXSVHJGOKZ-UHFFFAOYSA-N 1 1 452.363 4.339 50 0 JIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009345350 555111386 /nfs/dbraw/zinc/11/13/86/555111386.db2.gz ZNWXLCGDCZSTCI-CLJLJLNGSA-N 1 1 496.523 4.295 50 0 JIAAMO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000013367192 555389469 /nfs/dbraw/zinc/38/94/69/555389469.db2.gz HDLHUOIVTONUNC-LJQANCHMSA-N 1 1 450.539 4.167 50 0 JIAAMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000013367192 555389473 /nfs/dbraw/zinc/38/94/73/555389473.db2.gz HDLHUOIVTONUNC-LJQANCHMSA-N 1 1 450.539 4.167 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000009590711 555403636 /nfs/dbraw/zinc/40/36/36/555403636.db2.gz WEAYYPDTWHKFAJ-UHFFFAOYSA-N 1 1 481.618 4.094 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000009590711 555403638 /nfs/dbraw/zinc/40/36/38/555403638.db2.gz WEAYYPDTWHKFAJ-UHFFFAOYSA-N 1 1 481.618 4.094 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009776959 555495319 /nfs/dbraw/zinc/49/53/19/555495319.db2.gz SBQFQZWQNFOQSX-RRPNLBNLSA-N 1 1 493.648 4.169 50 0 JIAAMO CC[C@@H](NC(=O)c1sc2ncnc(NCCC[NH+]3CCOCC3)c2c1C)c1cccs1 ZINC000019836570 555507158 /nfs/dbraw/zinc/50/71/58/555507158.db2.gz IXETZBOWGXWDNQ-MRXNPFEDSA-N 1 1 459.641 4.077 50 0 JIAAMO Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000019991268 555576639 /nfs/dbraw/zinc/57/66/39/555576639.db2.gz QGCCYVJREXGNSM-GDLZYMKVSA-N 1 1 478.596 4.463 50 0 JIAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1Cl ZINC000019999265 555577459 /nfs/dbraw/zinc/57/74/59/555577459.db2.gz HNVDGBJBCJSVDE-UHFFFAOYSA-N 1 1 498.048 4.040 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104127 555636214 /nfs/dbraw/zinc/63/62/14/555636214.db2.gz YVYRKVYQIIOOQC-SXOMAYOGSA-N 1 1 475.633 4.473 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000010278008 555671651 /nfs/dbraw/zinc/67/16/51/555671651.db2.gz FBEBUSUVRUEQDQ-AHWVRZQESA-N 1 1 475.614 4.268 50 0 JIAAMO Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000020183219 555690173 /nfs/dbraw/zinc/69/01/73/555690173.db2.gz GMJUATVLYRFKMY-UHFFFAOYSA-N 1 1 475.662 4.115 50 0 JIAAMO Cc1sc2nc(CN3CCCC3)nc(N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)c2c1C ZINC000014124037 555695606 /nfs/dbraw/zinc/69/56/06/555695606.db2.gz UUBNTEWQMZPIAF-UHFFFAOYSA-N 1 1 463.651 4.161 50 0 JIAAMO O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000010975484 555750707 /nfs/dbraw/zinc/75/07/07/555750707.db2.gz RQICNBXAEOJHJX-UHFFFAOYSA-N 1 1 472.976 4.387 50 0 JIAAMO O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000010975484 555750709 /nfs/dbraw/zinc/75/07/09/555750709.db2.gz RQICNBXAEOJHJX-UHFFFAOYSA-N 1 1 472.976 4.387 50 0 JIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000011088150 555758802 /nfs/dbraw/zinc/75/88/02/555758802.db2.gz CLLUZBCBUYNVRF-KRWDZBQOSA-N 1 1 474.517 4.009 50 0 JIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000011088150 555758805 /nfs/dbraw/zinc/75/88/05/555758805.db2.gz CLLUZBCBUYNVRF-KRWDZBQOSA-N 1 1 474.517 4.009 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020508278 555792056 /nfs/dbraw/zinc/79/20/56/555792056.db2.gz UQHJUNQSIMWCEZ-WDJPJFJCSA-N 1 1 469.651 4.056 50 0 JIAAMO Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000011787720 555821863 /nfs/dbraw/zinc/82/18/63/555821863.db2.gz CVELWVYIJXUBAQ-QGZVFWFLSA-N 1 1 473.499 4.034 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 ZINC000014542724 555833694 /nfs/dbraw/zinc/83/36/94/555833694.db2.gz ROTCYZUMJZEHIM-UHFFFAOYSA-N 1 1 481.600 4.018 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 ZINC000014542724 555833697 /nfs/dbraw/zinc/83/36/97/555833697.db2.gz ROTCYZUMJZEHIM-UHFFFAOYSA-N 1 1 481.600 4.018 50 0 JIAAMO COc1cc(C)c(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)cc1C ZINC000014999380 555843542 /nfs/dbraw/zinc/84/35/42/555843542.db2.gz LWFADRCNZJZGCN-KNQAVFIVSA-N 1 1 452.624 4.448 50 0 JIAAMO O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000012056130 555898538 /nfs/dbraw/zinc/89/85/38/555898538.db2.gz MTPQKHXSWZFGIZ-SXOMAYOGSA-N 1 1 474.580 4.110 50 0 JIAAMO O=C(NCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc1)c1ccc2c(c1)OCO2 ZINC000012190816 555938081 /nfs/dbraw/zinc/93/80/81/555938081.db2.gz KBQMZXYECHFBJS-XMMPIXPASA-N 1 1 459.546 4.346 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000012342202 555954587 /nfs/dbraw/zinc/95/45/87/555954587.db2.gz ATFANGXTUZOETN-UHFFFAOYSA-N 1 1 466.028 4.098 50 0 JIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022914369 555969406 /nfs/dbraw/zinc/96/94/06/555969406.db2.gz BRECMCHEJQHIPY-KRWDZBQOSA-N 1 1 466.409 4.334 50 0 JIAAMO CCOC(=O)c1c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@H](C)C2 ZINC000022920704 555974802 /nfs/dbraw/zinc/97/48/02/555974802.db2.gz MIKSVMKRCAABTA-OALUTQOASA-N 1 1 469.651 4.194 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022928498 555979476 /nfs/dbraw/zinc/97/94/76/555979476.db2.gz MMLZOHRQCQHDQG-SIKLNZKXSA-N 1 1 464.635 4.011 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000023109655 556010370 /nfs/dbraw/zinc/01/03/70/556010370.db2.gz YKCYILQGWICNTE-UHFFFAOYSA-N 1 1 464.513 4.072 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868582 556045764 /nfs/dbraw/zinc/04/57/64/556045764.db2.gz LWMXCQOFZGXXDH-REWPJTCUSA-N 1 1 452.643 4.427 50 0 JIAAMO COc1ccc(-c2csc3nc(C)nc(N4CCC[N@@H+](CC(=O)NC(C)(C)C)CC4)c23)cc1OC ZINC000012567495 556066912 /nfs/dbraw/zinc/06/69/12/556066912.db2.gz AVDWTCBTJHOUEE-UHFFFAOYSA-N 1 1 497.665 4.111 50 0 JIAAMO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000023483416 556075060 /nfs/dbraw/zinc/07/50/60/556075060.db2.gz ZXACABLAXCYFCR-XMMPIXPASA-N 1 1 460.965 4.380 50 0 JIAAMO Cc1c2cnn(CC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000015941260 556075955 /nfs/dbraw/zinc/07/59/55/556075955.db2.gz KBOWWYCEQKAFJH-KDURUIRLSA-N 1 1 498.071 4.001 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCCC[C@H]2C)CCC3)c(OC)c1 ZINC000015946650 556083323 /nfs/dbraw/zinc/08/33/23/556083323.db2.gz QVBHAVBUWFYIAB-OAHLLOKOSA-N 1 1 457.596 4.319 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCCC[C@H]2C)CCC3)c(OC)c1 ZINC000015946650 556083328 /nfs/dbraw/zinc/08/33/28/556083328.db2.gz QVBHAVBUWFYIAB-OAHLLOKOSA-N 1 1 457.596 4.319 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015999302 556104698 /nfs/dbraw/zinc/10/46/98/556104698.db2.gz OZSGSWFXERWLLT-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015999302 556104699 /nfs/dbraw/zinc/10/46/99/556104699.db2.gz OZSGSWFXERWLLT-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001401 556106358 /nfs/dbraw/zinc/10/63/58/556106358.db2.gz VZHMACPGRZDTGC-FXKZBUDASA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001401 556106360 /nfs/dbraw/zinc/10/63/60/556106360.db2.gz VZHMACPGRZDTGC-FXKZBUDASA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001465 556106430 /nfs/dbraw/zinc/10/64/30/556106430.db2.gz QVQZBZKNTZZNHW-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001465 556106433 /nfs/dbraw/zinc/10/64/33/556106433.db2.gz QVQZBZKNTZZNHW-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000024022951 556116571 /nfs/dbraw/zinc/11/65/71/556116571.db2.gz NAMFDHCJPFVFMT-AREMUKBSSA-N 1 1 465.569 4.332 50 0 JIAAMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000024836173 556159079 /nfs/dbraw/zinc/15/90/79/556159079.db2.gz PZGOCFCTIVLPKG-RUZDIDTESA-N 1 1 463.603 4.065 50 0 JIAAMO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000024926223 556164134 /nfs/dbraw/zinc/16/41/34/556164134.db2.gz VYQUSBDMTYNEQH-QGZVFWFLSA-N 1 1 459.390 4.444 50 0 JIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000024926223 556164135 /nfs/dbraw/zinc/16/41/35/556164135.db2.gz VYQUSBDMTYNEQH-QGZVFWFLSA-N 1 1 459.390 4.444 50 0 JIAAMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000024985068 556169807 /nfs/dbraw/zinc/16/98/07/556169807.db2.gz URPVCNAFVIIMRI-VGOFRKELSA-N 1 1 491.569 4.458 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(I)cc3)CC2)[nH+]1 ZINC000017012352 556202453 /nfs/dbraw/zinc/20/24/53/556202453.db2.gz FJQYTAWZCBULNN-UHFFFAOYSA-N 1 1 499.356 4.096 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccccc3I)CC2)[nH+]1 ZINC000017012609 556202878 /nfs/dbraw/zinc/20/28/78/556202878.db2.gz ULNBFECVMBKGJB-UHFFFAOYSA-N 1 1 499.356 4.096 50 0 JIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(Br)o4)CC3)n2)cc1 ZINC000017042601 556209133 /nfs/dbraw/zinc/20/91/33/556209133.db2.gz XPOWAADBWUSGFW-UHFFFAOYSA-N 1 1 456.344 4.155 50 0 JIAAMO C[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccc2ccccc2c1 ZINC000013121465 556337779 /nfs/dbraw/zinc/33/77/79/556337779.db2.gz RYRCVDRHVXUSRU-UHFFFAOYSA-N 1 1 472.010 4.348 50 0 JIAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccc2ccccc2c1 ZINC000013121465 556337782 /nfs/dbraw/zinc/33/77/82/556337782.db2.gz RYRCVDRHVXUSRU-UHFFFAOYSA-N 1 1 472.010 4.348 50 0 JIAAMO CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000019301114 556339387 /nfs/dbraw/zinc/33/93/87/556339387.db2.gz RKOXLZUFPISXEZ-FQEVSTJZSA-N 1 1 484.666 4.112 50 0 JIAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)COC(c2ccccc2)c2ccccc2)c(OC)c1OC ZINC000013135804 556366476 /nfs/dbraw/zinc/36/64/76/556366476.db2.gz PHDGPLDNPCUCGA-HSZRJFAPSA-N 1 1 451.563 4.311 50 0 JIAAMO COc1ccc(C[N@@H+](C)C[C@H](O)COC(c2ccccc2)c2ccccc2)c(OC)c1OC ZINC000013135805 556366563 /nfs/dbraw/zinc/36/65/63/556366563.db2.gz PHDGPLDNPCUCGA-QHCPKHFHSA-N 1 1 451.563 4.311 50 0 JIAAMO CC[NH+]1CCN(C2=C(Sc3ccc(C)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000019793103 556372364 /nfs/dbraw/zinc/37/23/64/556372364.db2.gz IHJBNXWHMVEORL-UHFFFAOYSA-N 1 1 459.974 4.302 50 0 JIAAMO Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000030897736 556387640 /nfs/dbraw/zinc/38/76/40/556387640.db2.gz UFBRNBRNPFDRQF-UHFFFAOYSA-N 1 1 454.571 4.466 50 0 JIAAMO Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000030897736 556387644 /nfs/dbraw/zinc/38/76/44/556387644.db2.gz UFBRNBRNPFDRQF-UHFFFAOYSA-N 1 1 454.571 4.466 50 0 JIAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3cc(OC)ccc3OC)[NH+]3CCCCC3)no2)cc1 ZINC000032623073 556453005 /nfs/dbraw/zinc/45/30/05/556453005.db2.gz PAYGVTZCSUOIPK-HSZRJFAPSA-N 1 1 465.550 4.324 50 0 JIAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)c(OC)c3)[NH+]3CCCCC3)no2)cc1 ZINC000032623090 556453018 /nfs/dbraw/zinc/45/30/18/556453018.db2.gz WMTMTMBHWGBEPX-JOCHJYFZSA-N 1 1 465.550 4.324 50 0 JIAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3cc(OC)ccc3OC)[NH+]3CCCCC3)no2)cc1 ZINC000032623074 556453051 /nfs/dbraw/zinc/45/30/51/556453051.db2.gz PAYGVTZCSUOIPK-QHCPKHFHSA-N 1 1 465.550 4.324 50 0 JIAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032772715 556490390 /nfs/dbraw/zinc/49/03/90/556490390.db2.gz ZKZPGQFMXONMKY-RBBKRZOGSA-N 1 1 456.608 4.254 50 0 JIAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032772715 556490394 /nfs/dbraw/zinc/49/03/94/556490394.db2.gz ZKZPGQFMXONMKY-RBBKRZOGSA-N 1 1 456.608 4.254 50 0 JIAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CC[N@H+]3CCC[C@H]3C1)c1ccccc1CC2 ZINC000019371884 563014957 /nfs/dbraw/zinc/01/49/57/563014957.db2.gz CGUZVNGKGNOPPX-QHCPKHFHSA-N 1 1 462.594 4.188 50 0 JIAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1CC2 ZINC000020790358 563016506 /nfs/dbraw/zinc/01/65/06/563016506.db2.gz CGUZVNGKGNOPPX-HSZRJFAPSA-N 1 1 462.594 4.188 50 0 JIAAMO COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3nccs3)CC2)[C@H]1OC ZINC000055368916 563206012 /nfs/dbraw/zinc/20/60/12/563206012.db2.gz OGTFCXRHJMNWSV-RPWUZVMVSA-N 1 1 463.603 4.185 50 0 JIAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@H]3CCOC3)ccc2c1NC(=O)c1ccc(C)cc1C ZINC000055309236 569591520 /nfs/dbraw/zinc/59/15/20/569591520.db2.gz FVQJLMKQKURXIL-KRWDZBQOSA-N 1 1 453.564 4.173 50 0 JIAAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000057015888 569593871 /nfs/dbraw/zinc/59/38/71/569593871.db2.gz FFZVPUFSAAPHDX-SIBVEZHUSA-N 1 1 495.645 4.456 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999503 569609995 /nfs/dbraw/zinc/60/99/95/569609995.db2.gz PICJIFBNVOJSFY-LPKQAODOSA-N 1 1 477.564 4.318 50 0 biogenic JIAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1 ZINC000064471533 569617834 /nfs/dbraw/zinc/61/78/34/569617834.db2.gz PSLKJBRGYLBEGH-UHFFFAOYSA-N 1 1 453.568 4.328 50 0 JIAAMO O=S(=O)(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000064610842 569622974 /nfs/dbraw/zinc/62/29/74/569622974.db2.gz RNKKKLVDPZBIDG-UHFFFAOYSA-N 1 1 452.580 4.043 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@]2(c3ccccc3NC2=O)[C@H]2CCC[N@H+]21 ZINC000034257912 569639876 /nfs/dbraw/zinc/63/98/76/569639876.db2.gz JOPUQPAPCXEEHS-AHFVTIBXSA-N 1 1 463.537 4.010 50 0 JIAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1 ZINC000034681974 569643743 /nfs/dbraw/zinc/64/37/43/569643743.db2.gz DIUICBQBAVCRJQ-UHFFFAOYSA-N 1 1 450.970 4.465 50 0 JIAAMO COc1cccc(N(C2CC[NH+](Cc3cccnc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034684000 569644829 /nfs/dbraw/zinc/64/48/29/569644829.db2.gz BZZVOPVFPQIOBP-UHFFFAOYSA-N 1 1 451.592 4.259 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023188 569649795 /nfs/dbraw/zinc/64/97/95/569649795.db2.gz JJEFYGHMSKQLNG-HSZRJFAPSA-N 1 1 461.585 4.137 50 0 JIAAMO Cc1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(C)cc4)c3C2)cc1 ZINC000034757429 569656970 /nfs/dbraw/zinc/65/69/70/569656970.db2.gz XJWKZWPILFAGCP-UHFFFAOYSA-N 1 1 472.593 4.228 50 0 JIAAMO C[NH+]1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000034758111 569657253 /nfs/dbraw/zinc/65/72/53/569657253.db2.gz RGEDLYKZHCTERJ-UHFFFAOYSA-N 1 1 481.959 4.012 50 0 JIAAMO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787337 569659654 /nfs/dbraw/zinc/65/96/54/569659654.db2.gz FHEYDMPNLCCXGH-NDEPHWFRSA-N 1 1 491.632 4.138 50 0 JIAAMO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787337 569659655 /nfs/dbraw/zinc/65/96/55/569659655.db2.gz FHEYDMPNLCCXGH-NDEPHWFRSA-N 1 1 491.632 4.138 50 0 JIAAMO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787256 569659706 /nfs/dbraw/zinc/65/97/06/569659706.db2.gz VAGRFOADOQAARJ-AREMUKBSSA-N 1 1 479.671 4.061 50 0 JIAAMO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787256 569659708 /nfs/dbraw/zinc/65/97/08/569659708.db2.gz VAGRFOADOQAARJ-AREMUKBSSA-N 1 1 479.671 4.061 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034787999 569659960 /nfs/dbraw/zinc/65/99/60/569659960.db2.gz WTKMXMFWSPZORH-MHZLTWQESA-N 1 1 493.698 4.369 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034787999 569659961 /nfs/dbraw/zinc/65/99/61/569659961.db2.gz WTKMXMFWSPZORH-MHZLTWQESA-N 1 1 493.698 4.369 50 0 JIAAMO Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)nn2)c1 ZINC000035398263 569688860 /nfs/dbraw/zinc/68/88/60/569688860.db2.gz JRJPICXAIUBSKI-RUZDIDTESA-N 1 1 457.622 4.307 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)c1C ZINC000035404449 569691628 /nfs/dbraw/zinc/69/16/28/569691628.db2.gz FWXAOLYQBVBEIF-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)c1C ZINC000035404449 569691629 /nfs/dbraw/zinc/69/16/29/569691629.db2.gz FWXAOLYQBVBEIF-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cnn(-c4ccccc4C)c3C3CC3)cc2)CC1 ZINC000070020228 569694872 /nfs/dbraw/zinc/69/48/72/569694872.db2.gz JPJBBBPSNRQEPM-UHFFFAOYSA-N 1 1 457.622 4.126 50 0 JIAAMO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4cnc[nH]4)CC3)cc3ccccc32)cc1 ZINC000035451494 569696825 /nfs/dbraw/zinc/69/68/25/569696825.db2.gz GTFQBWZRZXGUSD-UHFFFAOYSA-N 1 1 455.606 4.292 50 0 JIAAMO Cc1cc(Nc2nc(C(=O)NCCC[NH+]3CCOCC3)cc3occc32)ccc1Br ZINC000085651227 569713094 /nfs/dbraw/zinc/71/30/94/569713094.db2.gz POMHUDIEOYZRIC-UHFFFAOYSA-N 1 1 473.371 4.094 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843247 569714360 /nfs/dbraw/zinc/71/43/60/569714360.db2.gz ANFRBLULAUNXFI-YQYRJILISA-N 1 1 489.881 4.098 50 0 JIAAMO COc1cc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc2c1OCCCO2 ZINC000085877463 569716034 /nfs/dbraw/zinc/71/60/34/569716034.db2.gz DGQBBEZNTFBVLE-NZQKXSOJSA-N 1 1 493.604 4.103 50 0 biogenic JIAAMO CCc1cccc2c([C@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910566 569725847 /nfs/dbraw/zinc/72/58/47/569725847.db2.gz HLVMGRVMFGTOTD-JOCHJYFZSA-N 1 1 455.549 4.369 50 0 JIAAMO CN1CC[NH+](Cc2ccc(C(=O)Nc3cccc(Cc4nccc(-c5cccnc5)n4)c3)cc2)CC1 ZINC000095913223 569729414 /nfs/dbraw/zinc/72/94/14/569729414.db2.gz UPKQENYURPPJJF-UHFFFAOYSA-N 1 1 478.600 4.129 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)c2cccs2)CC1 ZINC000036312226 569760067 /nfs/dbraw/zinc/76/00/67/569760067.db2.gz QKHSPYZGDSDRGJ-HXUWFJFHSA-N 1 1 484.597 4.115 50 0 JIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccc2c(c1)OCO2 ZINC000036312928 569760388 /nfs/dbraw/zinc/76/03/88/569760388.db2.gz QMEWYONXJVOTNQ-HSZRJFAPSA-N 1 1 493.604 4.459 50 0 JIAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccc2c(c1)OCO2 ZINC000036312928 569760389 /nfs/dbraw/zinc/76/03/89/569760389.db2.gz QMEWYONXJVOTNQ-HSZRJFAPSA-N 1 1 493.604 4.459 50 0 JIAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000036316314 569762553 /nfs/dbraw/zinc/76/25/53/569762553.db2.gz DVHBOCKQGFDNKA-XMMPIXPASA-N 1 1 478.637 4.132 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036342534 569765734 /nfs/dbraw/zinc/76/57/34/569765734.db2.gz RDNXXVZSIJVQPX-DEOSSOPVSA-N 1 1 467.997 4.473 50 0 JIAAMO COc1ccccc1[C@@H]1CC(c2cccc(C)c2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036345317 569767836 /nfs/dbraw/zinc/76/78/36/569767836.db2.gz QBTQUSRJSDBITC-NDEPHWFRSA-N 1 1 482.628 4.499 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2OC)C1 ZINC000036345341 569767881 /nfs/dbraw/zinc/76/78/81/569767881.db2.gz QVJIFSXSVWTPLS-BWKNWUBXSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2OC)C1 ZINC000036345341 569767882 /nfs/dbraw/zinc/76/78/82/569767882.db2.gz QVJIFSXSVWTPLS-BWKNWUBXSA-N 1 1 477.605 4.265 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036346564 569770026 /nfs/dbraw/zinc/77/00/26/569770026.db2.gz UDCXVAXJBNVTEJ-JOCHJYFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036346564 569770027 /nfs/dbraw/zinc/77/00/27/569770027.db2.gz UDCXVAXJBNVTEJ-JOCHJYFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346620 569770459 /nfs/dbraw/zinc/77/04/59/569770459.db2.gz JACVJMZBKXEVHV-HSZRJFAPSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346620 569770461 /nfs/dbraw/zinc/77/04/61/569770461.db2.gz JACVJMZBKXEVHV-HSZRJFAPSA-N 1 1 489.563 4.486 50 0 JIAAMO CCc1cc([C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546477 569803048 /nfs/dbraw/zinc/80/30/48/569803048.db2.gz IIEDLKKOCJMXJK-QFIPXVFZSA-N 1 1 453.564 4.221 50 0 JIAAMO CC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@H](c4ccc(C(C)C)cc4)N23)CC1 ZINC000102743531 569819441 /nfs/dbraw/zinc/81/94/41/569819441.db2.gz KNLASLIVOSPUQA-DEOSSOPVSA-N 1 1 482.650 4.112 50 0 JIAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000040155719 569820829 /nfs/dbraw/zinc/82/08/29/569820829.db2.gz CKEQTJGSBULMPK-OAHLLOKOSA-N 1 1 469.529 4.120 50 0 JIAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000040155719 569820831 /nfs/dbraw/zinc/82/08/31/569820831.db2.gz CKEQTJGSBULMPK-OAHLLOKOSA-N 1 1 469.529 4.120 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103522653 569835681 /nfs/dbraw/zinc/83/56/81/569835681.db2.gz FSRFOSZQIFSTDH-CWTOASCOSA-N 1 1 493.563 4.466 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103522653 569835683 /nfs/dbraw/zinc/83/56/83/569835683.db2.gz FSRFOSZQIFSTDH-CWTOASCOSA-N 1 1 493.563 4.466 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)[C@H](CC)n1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000103705162 569837248 /nfs/dbraw/zinc/83/72/48/569837248.db2.gz UUWVEWGVCGHKCK-XXBNENTESA-N 1 1 465.642 4.458 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000105000607 569848879 /nfs/dbraw/zinc/84/88/79/569848879.db2.gz OVAKCEBGXRURCR-OFVILXPXSA-N 1 1 489.104 4.037 50 0 JIAAMO COc1ccccc1Oc1c(C[N@H+](C[C@H](C)O)C[C@@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000105001640 569848995 /nfs/dbraw/zinc/84/89/95/569848995.db2.gz HCRMTLFSRKKSKQ-UGKGYDQZSA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](C)O)C[C@@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000105001640 569848996 /nfs/dbraw/zinc/84/89/96/569848996.db2.gz HCRMTLFSRKKSKQ-UGKGYDQZSA-N 1 1 451.567 4.343 50 0 JIAAMO CC(C)N(C)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@@H](O)c1ccccc1 ZINC000104999144 569849041 /nfs/dbraw/zinc/84/90/41/569849041.db2.gz YOYVDHFGCZQYQF-AREMUKBSSA-N 1 1 478.637 4.054 50 0 JIAAMO COc1cc(CN(C)C(=O)C[N@H+](C)CCOc2ccc(Br)cc2)ccc1OC(F)F ZINC000049590377 569849330 /nfs/dbraw/zinc/84/93/30/569849330.db2.gz JYQQRVUCLQPANV-UHFFFAOYSA-N 1 1 487.341 4.028 50 0 JIAAMO COc1cc(CN(C)C(=O)C[N@@H+](C)CCOc2ccc(Br)cc2)ccc1OC(F)F ZINC000049590377 569849332 /nfs/dbraw/zinc/84/93/32/569849332.db2.gz JYQQRVUCLQPANV-UHFFFAOYSA-N 1 1 487.341 4.028 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000105059876 569852609 /nfs/dbraw/zinc/85/26/09/569852609.db2.gz BFCATSRURMDIIV-IDISGSTGSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000105059876 569852610 /nfs/dbraw/zinc/85/26/10/569852610.db2.gz BFCATSRURMDIIV-IDISGSTGSA-N 1 1 473.642 4.377 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000169677582 569868816 /nfs/dbraw/zinc/86/88/16/569868816.db2.gz SKNLHKRSODLHIS-XTEPFMGCSA-N 1 1 473.592 4.056 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169679837 569869904 /nfs/dbraw/zinc/86/99/04/569869904.db2.gz QTBRXHCTMXGSEL-CCLHPLFOSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169679837 569869905 /nfs/dbraw/zinc/86/99/05/569869905.db2.gz QTBRXHCTMXGSEL-CCLHPLFOSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680027 569870104 /nfs/dbraw/zinc/87/01/04/569870104.db2.gz WIENNNJGVFREGW-KDYSTLNUSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680027 569870105 /nfs/dbraw/zinc/87/01/05/569870105.db2.gz WIENNNJGVFREGW-KDYSTLNUSA-N 1 1 473.642 4.377 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000169782374 569872522 /nfs/dbraw/zinc/87/25/22/569872522.db2.gz WGMHWVUUOFANCR-IKVMQTKTSA-N 1 1 483.678 4.444 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821885 570041331 /nfs/dbraw/zinc/04/13/31/570041331.db2.gz HAJLBFVOORQWHU-UYAOXDASSA-N 1 1 464.591 4.400 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821885 570041332 /nfs/dbraw/zinc/04/13/32/570041332.db2.gz HAJLBFVOORQWHU-UYAOXDASSA-N 1 1 464.591 4.400 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000230076274 570044432 /nfs/dbraw/zinc/04/44/32/570044432.db2.gz NACLZDDCXPCEKE-RPWUZVMVSA-N 1 1 471.667 4.304 50 0 JIAAMO C[N@@H+]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C[C@H]1c1ccccc1 ZINC000244574798 570054175 /nfs/dbraw/zinc/05/41/75/570054175.db2.gz CRQRSVUCSIMAAD-NRFANRHFSA-N 1 1 451.640 4.291 50 0 JIAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C[C@H]1c1ccccc1 ZINC000244574798 570054176 /nfs/dbraw/zinc/05/41/76/570054176.db2.gz CRQRSVUCSIMAAD-NRFANRHFSA-N 1 1 451.640 4.291 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245246412 570059171 /nfs/dbraw/zinc/05/91/71/570059171.db2.gz KXOXXXPWMZQJKL-SCYDXJQRSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245246412 570059172 /nfs/dbraw/zinc/05/91/72/570059172.db2.gz KXOXXXPWMZQJKL-SCYDXJQRSA-N 1 1 490.774 4.386 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000245310307 570063225 /nfs/dbraw/zinc/06/32/25/570063225.db2.gz ICVOBUZHHHQLHR-DOIPELPJSA-N 1 1 492.597 4.282 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000245310307 570063226 /nfs/dbraw/zinc/06/32/26/570063226.db2.gz ICVOBUZHHHQLHR-DOIPELPJSA-N 1 1 492.597 4.282 50 0 JIAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1cccc(OC)c1 ZINC000245328350 570065657 /nfs/dbraw/zinc/06/56/57/570065657.db2.gz NWQJAMHPFZQESU-GGAORHGYSA-N 1 1 460.565 4.320 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@H]1CCCO1 ZINC000245330384 570066732 /nfs/dbraw/zinc/06/67/32/570066732.db2.gz XXRCPFYLRVCLPP-YMPZKCBVSA-N 1 1 457.615 4.099 50 0 JIAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4nccs4)CC3)nc3ccccc32)cc1 ZINC000247902606 570071022 /nfs/dbraw/zinc/07/10/22/570071022.db2.gz RHSKACNACKVEOO-UHFFFAOYSA-N 1 1 461.591 4.400 50 0 JIAAMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248139753 570075284 /nfs/dbraw/zinc/07/52/84/570075284.db2.gz BMAMLFSICSYNAC-QFIPXVFZSA-N 1 1 475.637 4.187 50 0 JIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cccc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)c1 ZINC000248330742 570077772 /nfs/dbraw/zinc/07/77/72/570077772.db2.gz GFPWAQIHWBGSEM-XCUDZRBYSA-N 1 1 493.563 4.018 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248335763 570077895 /nfs/dbraw/zinc/07/78/95/570077895.db2.gz NJXYULHSTSKAPV-GSRZOBFVSA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000249682816 570078454 /nfs/dbraw/zinc/07/84/54/570078454.db2.gz COAJBTREZTZKON-GOSISDBHSA-N 1 1 455.400 4.347 50 0 JIAAMO CCc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3CC)CC2)CC1 ZINC000249693084 570078703 /nfs/dbraw/zinc/07/87/03/570078703.db2.gz NNRISWWVIZBQQC-UHFFFAOYSA-N 1 1 459.638 4.179 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000252518084 570083004 /nfs/dbraw/zinc/08/30/04/570083004.db2.gz ZLTDJHBOQGFQHN-ORQYLMBXSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252518084 570083005 /nfs/dbraw/zinc/08/30/05/570083005.db2.gz ZLTDJHBOQGFQHN-ORQYLMBXSA-N 1 1 490.774 4.386 50 0 JIAAMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@H]4C[N@@H+]4C[C@@H](C)CC[C@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000253388624 570095479 /nfs/dbraw/zinc/09/54/79/570095479.db2.gz LCJGVSFMDQXVDC-ODLFZBNPSA-N 1 1 471.682 4.457 50 0 JIAAMO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000003051297 194219052 /nfs/dbraw/zinc/21/90/52/194219052.db2.gz JEJWQCTZDAJWOX-UHFFFAOYSA-N 1 1 479.646 4.114 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009870322 195005837 /nfs/dbraw/zinc/00/58/37/195005837.db2.gz IJYVGNNTHLRDDN-DEOSSOPVSA-N 1 1 451.567 4.444 50 0 JIAAMO CCC[NH+]1CCN(C(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000009958602 195037760 /nfs/dbraw/zinc/03/77/60/195037760.db2.gz QXHRHNVFJKQQOG-UHFFFAOYSA-N 1 1 455.668 4.032 50 0 JIAAMO C[N@@H+](CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)C1CCCCC1 ZINC000009963306 195040035 /nfs/dbraw/zinc/04/00/35/195040035.db2.gz OSTILMIVDQDYGV-UHFFFAOYSA-N 1 1 483.428 4.010 50 0 JIAAMO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012731264 195098759 /nfs/dbraw/zinc/09/87/59/195098759.db2.gz HPGIFAWKJMQHJW-DEOSSOPVSA-N 1 1 493.629 4.371 50 0 JIAAMO O=C(CSc1nnc(NCc2ccco2)s1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012734815 195099967 /nfs/dbraw/zinc/09/99/67/195099967.db2.gz SYZGCAPTYADVAF-UHFFFAOYSA-N 1 1 479.631 4.333 50 0 JIAAMO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012775830 195120580 /nfs/dbraw/zinc/12/05/80/195120580.db2.gz CJSWNPWTUFVISM-SANMLTNESA-N 1 1 487.669 4.472 50 0 JIAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 ZINC000012790114 195131115 /nfs/dbraw/zinc/13/11/15/195131115.db2.gz GWJPUYYUEZAMLJ-OAQYLSRUSA-N 1 1 475.973 4.313 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012903528 195178620 /nfs/dbraw/zinc/17/86/20/195178620.db2.gz RCVDCXXKUXXOMH-QHCPKHFHSA-N 1 1 457.665 4.008 50 0 JIAAMO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(C)c21 ZINC000020624526 195191076 /nfs/dbraw/zinc/19/10/76/195191076.db2.gz JTZUMVMVYSJPMQ-UHFFFAOYSA-N 1 1 473.573 4.097 50 0 JIAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3C2)cc1 ZINC000020780777 195224505 /nfs/dbraw/zinc/22/45/05/195224505.db2.gz VPSPZSPMIPVKMA-BGYRXZFFSA-N 1 1 462.594 4.089 50 0 JIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3C2)cc1 ZINC000020780777 195224508 /nfs/dbraw/zinc/22/45/08/195224508.db2.gz VPSPZSPMIPVKMA-BGYRXZFFSA-N 1 1 462.594 4.089 50 0 JIAAMO CCOC(=O)C[C@H](NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](CC)CC2)c1ccccc1 ZINC000020927508 195249525 /nfs/dbraw/zinc/24/95/25/195249525.db2.gz YXMWYAOZMDJJDL-QFIPXVFZSA-N 1 1 480.634 4.411 50 0 JIAAMO Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)n1C ZINC000020990003 195262091 /nfs/dbraw/zinc/26/20/91/195262091.db2.gz SBQVQFADKPNLMC-UHFFFAOYSA-N 1 1 486.682 4.445 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098222 195275959 /nfs/dbraw/zinc/27/59/59/195275959.db2.gz YWKRRXAMUXWMKC-XMMPIXPASA-N 1 1 468.525 4.007 50 0 aggregator JIAAMO CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000058152520 195367155 /nfs/dbraw/zinc/36/71/55/195367155.db2.gz AFAQFPPNDMZHLQ-NRFANRHFSA-N 1 1 452.618 4.057 50 0 JIAAMO O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000058266580 195375599 /nfs/dbraw/zinc/37/55/99/195375599.db2.gz BKEGURDYMHCNIV-XMMPIXPASA-N 1 1 450.926 4.082 50 0 JIAAMO COc1ccc(-n2c(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)nnc2-c2ccco2)cc1 ZINC000095925561 129932716 /nfs/dbraw/zinc/93/27/16/129932716.db2.gz JSSLBWXXLFEDBZ-UHFFFAOYSA-N 1 1 489.601 4.216 50 0 JIAAMO CC(C)CC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCc1ccco1 ZINC000036149209 519652380 /nfs/dbraw/zinc/65/23/80/519652380.db2.gz MIJJKRHTNYJLRE-QHCPKHFHSA-N 1 1 483.609 4.197 50 0 JIAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146160 519755668 /nfs/dbraw/zinc/75/56/68/519755668.db2.gz XXXNFWGBJHDODV-SFTDATJTSA-N 1 1 474.985 4.097 50 0 JIAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146160 519755670 /nfs/dbraw/zinc/75/56/70/519755670.db2.gz XXXNFWGBJHDODV-SFTDATJTSA-N 1 1 474.985 4.097 50 0 JIAAMO CC(C)c1nc2sc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020443777 519872543 /nfs/dbraw/zinc/87/25/43/519872543.db2.gz JLKLGXYOZZVZDX-UHFFFAOYSA-N 1 1 455.628 4.348 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036303095 520152990 /nfs/dbraw/zinc/15/29/90/520152990.db2.gz JSVKTYFOIARZOY-HSZRJFAPSA-N 1 1 467.610 4.381 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036303095 520152995 /nfs/dbraw/zinc/15/29/95/520152995.db2.gz JSVKTYFOIARZOY-HSZRJFAPSA-N 1 1 467.610 4.381 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccccc2OC)CCO3)C1 ZINC000014990327 520526196 /nfs/dbraw/zinc/52/61/96/520526196.db2.gz YJVMMTZUEBREPZ-XMMPIXPASA-N 1 1 465.638 4.170 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cc(OC)cc(OC)c2)CCO3)C1 ZINC000014972186 520527145 /nfs/dbraw/zinc/52/71/45/520527145.db2.gz PVMLHYFYFRESRY-XMMPIXPASA-N 1 1 495.664 4.179 50 0 JIAAMO CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NCCC[NH+]1CCOCC1 ZINC000020392975 520577638 /nfs/dbraw/zinc/57/76/38/520577638.db2.gz YMWMAYPVXVXKRQ-UHFFFAOYSA-N 1 1 479.606 4.485 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036309496 521537991 /nfs/dbraw/zinc/53/79/91/521537991.db2.gz QRGZBJLSJXOBHE-RDGATRHJSA-N 1 1 488.694 4.307 50 0 JIAAMO COC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036207110 522400110 /nfs/dbraw/zinc/40/01/10/522400110.db2.gz SIWLAAPFVNKRGC-IBGZPJMESA-N 1 1 455.624 4.410 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1 ZINC000008812993 523018674 /nfs/dbraw/zinc/01/86/74/523018674.db2.gz JOQICFLODYVKHY-QFIPXVFZSA-N 1 1 485.650 4.171 50 0 JIAAMO CC[C@@H]1C[N@@H+](CCC(=O)N(C)Cc2ccc(OC)c3ncccc23)Cc2cc(OC)ccc2O1 ZINC000012218151 523437650 /nfs/dbraw/zinc/43/76/50/523437650.db2.gz VCZGMJPHZWOYTC-OAQYLSRUSA-N 1 1 463.578 4.274 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036306917 523735399 /nfs/dbraw/zinc/73/53/99/523735399.db2.gz AGLJKSJNWBYSEX-JOCHJYFZSA-N 1 1 471.573 4.253 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036304324 523736859 /nfs/dbraw/zinc/73/68/59/523736859.db2.gz QJBPNGKYDQFSLM-QHCPKHFHSA-N 1 1 483.609 4.216 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036304324 523736869 /nfs/dbraw/zinc/73/68/69/523736869.db2.gz QJBPNGKYDQFSLM-QHCPKHFHSA-N 1 1 483.609 4.216 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COC ZINC000036303521 523737743 /nfs/dbraw/zinc/73/77/43/523737743.db2.gz QXWMQQPWBNNWDD-FQEVSTJZSA-N 1 1 459.974 4.082 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COC ZINC000036303521 523737750 /nfs/dbraw/zinc/73/77/50/523737750.db2.gz QXWMQQPWBNNWDD-FQEVSTJZSA-N 1 1 459.974 4.082 50 0 JIAAMO C[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)CC1 ZINC000022803263 523893250 /nfs/dbraw/zinc/89/32/50/523893250.db2.gz QEYILYLKQWMEFS-UHFFFAOYSA-N 1 1 472.305 4.446 50 0 JIAAMO C[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)N4CCCC4)c3)n2)CC1 ZINC000036065209 523924753 /nfs/dbraw/zinc/92/47/53/523924753.db2.gz MIZDSCNQGLMIKJ-UHFFFAOYSA-N 1 1 453.656 4.054 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032333 524111097 /nfs/dbraw/zinc/11/10/97/524111097.db2.gz PQPOBBNQENPJEZ-QGZVFWFLSA-N 1 1 497.596 4.113 50 0 JIAAMO Cc1ccc(C)c(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000014185892 524116446 /nfs/dbraw/zinc/11/64/46/524116446.db2.gz XOCSHTRJSNTPID-UHFFFAOYSA-N 1 1 491.657 4.003 50 0 JIAAMO Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(Cl)cc4)[nH]c(=O)c3C2)cc1 ZINC000020467777 524476239 /nfs/dbraw/zinc/47/62/39/524476239.db2.gz USEHLUNWGSYHCN-UHFFFAOYSA-N 1 1 454.983 4.433 50 0 JIAAMO C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000014994484 524724324 /nfs/dbraw/zinc/72/43/24/524724324.db2.gz HDOMTVGBTPNHJO-KRWDZBQOSA-N 1 1 460.500 4.268 50 0 JIAAMO C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000014994484 524724337 /nfs/dbraw/zinc/72/43/37/524724337.db2.gz HDOMTVGBTPNHJO-KRWDZBQOSA-N 1 1 460.500 4.268 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccc(SC)cc3)C2)cc1 ZINC000014968848 525109996 /nfs/dbraw/zinc/10/99/96/525109996.db2.gz LRASMDAYKIBTGP-RPBOFIJWSA-N 1 1 485.719 4.316 50 0 JIAAMO Cc1c(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)sc2ncnc(N3CCCCCC3)c12 ZINC000014986831 525569926 /nfs/dbraw/zinc/56/99/26/525569926.db2.gz SSKHVSOWAPLAAX-HDICACEKSA-N 1 1 471.671 4.094 50 0 JIAAMO CSc1nc(C(=O)NCc2nc(-c3cccc(NC(=O)[C@H]4CCC[N@@H+](C)C4)c3)oc2C)cs1 ZINC000012245234 526209843 /nfs/dbraw/zinc/20/98/43/526209843.db2.gz XULXHPWACZFWBL-INIZCTEOSA-N 1 1 485.635 4.039 50 0 JIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCC(Oc2cccnc2)CC1 ZINC000014978034 526496833 /nfs/dbraw/zinc/49/68/33/526496833.db2.gz JHYUOGPPEJVBJY-HHHXNRCGSA-N 1 1 457.574 4.477 50 0 JIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCc1cccc(F)c1 ZINC000014997680 526574593 /nfs/dbraw/zinc/57/45/93/526574593.db2.gz BFBHYSBEVLJNAJ-WIOPSUGQSA-N 1 1 474.020 4.098 50 0 JIAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)NCc1cccc(F)c1 ZINC000014997680 526574600 /nfs/dbraw/zinc/57/46/00/526574600.db2.gz BFBHYSBEVLJNAJ-WIOPSUGQSA-N 1 1 474.020 4.098 50 0 JIAAMO O=C(c1ccc(Cl)cc1)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022608826 526677830 /nfs/dbraw/zinc/67/78/30/526677830.db2.gz JWAUOTHKVNOVOP-XMMPIXPASA-N 1 1 450.966 4.133 50 0 JIAAMO O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015441676 526717880 /nfs/dbraw/zinc/71/78/80/526717880.db2.gz TWQLCYQPYVLSDE-UHFFFAOYSA-N 1 1 489.575 4.370 50 0 JIAAMO O=C1N[C@@](c2ccccn2)(C2CC[NH+](Cc3ccc(F)cc3F)CC2)C(=O)N1CCc1cccs1 ZINC000014888312 527083789 /nfs/dbraw/zinc/08/37/89/527083789.db2.gz SMQYBJCBKWQZMX-AREMUKBSSA-N 1 1 496.583 4.323 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)Nc1cccc(F)c1 ZINC000035456476 527351371 /nfs/dbraw/zinc/35/13/71/527351371.db2.gz AQJNKBLBISPRNF-UHFFFAOYSA-N 1 1 486.522 4.386 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)Nc1cccc(F)c1 ZINC000035456476 527351377 /nfs/dbraw/zinc/35/13/77/527351377.db2.gz AQJNKBLBISPRNF-UHFFFAOYSA-N 1 1 486.522 4.386 50 0 JIAAMO O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000014952214 527368909 /nfs/dbraw/zinc/36/89/09/527368909.db2.gz WVELHMKUCMGRLM-MUUNZHRXSA-N 1 1 489.595 4.179 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000022608301 527672328 /nfs/dbraw/zinc/67/23/28/527672328.db2.gz LJWSUJQOJNDSGB-UHFFFAOYSA-N 1 1 452.558 4.416 50 0 JIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002398852 554184358 /nfs/dbraw/zinc/18/43/58/554184358.db2.gz WFALGJSNNQEEKQ-RPWUZVMVSA-N 1 1 454.461 4.417 50 0 JIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002398851 554184367 /nfs/dbraw/zinc/18/43/67/554184367.db2.gz WFALGJSNNQEEKQ-BJKOFHAPSA-N 1 1 454.461 4.417 50 0 JIAAMO COc1ccc(/C=C/C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2)cc1 ZINC000008448834 554595852 /nfs/dbraw/zinc/59/58/52/554595852.db2.gz QPYSJNCGSXSBSN-ACSGXXPCSA-N 1 1 475.570 4.218 50 0 JIAAMO COc1ccc(/C=C/C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2)cc1 ZINC000008448834 554595853 /nfs/dbraw/zinc/59/58/53/554595853.db2.gz QPYSJNCGSXSBSN-ACSGXXPCSA-N 1 1 475.570 4.218 50 0 JIAAMO C[N@@H+](CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)Cc1ccccc1 ZINC000008933074 554826694 /nfs/dbraw/zinc/82/66/94/554826694.db2.gz AMNQHFOSOKHKMP-UHFFFAOYSA-N 1 1 493.611 4.038 50 0 JIAAMO COc1cccc(-c2nnn(-c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)n2)c1 ZINC000009465713 555240544 /nfs/dbraw/zinc/24/05/44/555240544.db2.gz MXCNSERUMYLOFB-UHFFFAOYSA-N 1 1 461.595 4.207 50 0 JIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009482008 555261572 /nfs/dbraw/zinc/26/15/72/555261572.db2.gz JHQOBSUQWKBMOY-NRFANRHFSA-N 1 1 451.592 4.412 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000013139005 555336259 /nfs/dbraw/zinc/33/62/59/555336259.db2.gz GUUPDMWWFXFUDR-UKILVPOCSA-N 1 1 467.569 4.359 50 0 JIAAMO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000013367195 555389461 /nfs/dbraw/zinc/38/94/61/555389461.db2.gz HDLHUOIVTONUNC-IBGZPJMESA-N 1 1 450.539 4.167 50 0 JIAAMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000013367195 555389463 /nfs/dbraw/zinc/38/94/63/555389463.db2.gz HDLHUOIVTONUNC-IBGZPJMESA-N 1 1 450.539 4.167 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000009742351 555473925 /nfs/dbraw/zinc/47/39/25/555473925.db2.gz PJZHRYFOZDRAOR-QHCPKHFHSA-N 1 1 467.591 4.062 50 0 JIAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](CCO)CC1)occ3-c1ccc(Cl)cc1 ZINC000013552401 555492511 /nfs/dbraw/zinc/49/25/11/555492511.db2.gz FYFVWKGIUDQPAO-UHFFFAOYSA-N 1 1 494.975 4.237 50 0 JIAAMO O[C@H](COc1ccc2cc(Br)ccc2c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019831893 555505692 /nfs/dbraw/zinc/50/56/92/555505692.db2.gz AQVITTJIMMHPSF-FQEVSTJZSA-N 1 1 459.359 4.303 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000009971964 555570847 /nfs/dbraw/zinc/57/08/47/555570847.db2.gz QCZVJRCQSTYWHI-UHFFFAOYSA-N 1 1 490.604 4.485 50 0 JIAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)o1 ZINC000010216934 555649781 /nfs/dbraw/zinc/64/97/81/555649781.db2.gz IRWCKQWRSMCOTI-UHFFFAOYSA-N 1 1 487.516 4.279 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000020116439 555653814 /nfs/dbraw/zinc/65/38/14/555653814.db2.gz ZRVKJPDUQVZCFT-UHFFFAOYSA-N 1 1 460.397 4.178 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000010278017 555671724 /nfs/dbraw/zinc/67/17/24/555671724.db2.gz FBEBUSUVRUEQDQ-RSXGOPAZSA-N 1 1 475.614 4.268 50 0 JIAAMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](CCO)CC2)cc1 ZINC000020193392 555694636 /nfs/dbraw/zinc/69/46/36/555694636.db2.gz AJTMWWHJGXMIEL-VWLOTQADSA-N 1 1 479.646 4.325 50 0 JIAAMO CC[NH+]1CCN(C(=O)C2CCN(c3cc(C)nc4c(-c5ccc(Cl)cc5)c(C)nn43)CC2)CC1 ZINC000020280050 555751287 /nfs/dbraw/zinc/75/12/87/555751287.db2.gz TUNFVBXIRMWZTD-UHFFFAOYSA-N 1 1 481.044 4.047 50 0 JIAAMO Cc1cccn2c(=O)c3cc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n(C)c3nc12 ZINC000020312319 555769961 /nfs/dbraw/zinc/76/99/61/555769961.db2.gz LPEZBVGMCYDBPL-UHFFFAOYSA-N 1 1 491.595 4.042 50 0 JIAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)ccc1OCc1ccccc1 ZINC000011782505 555813111 /nfs/dbraw/zinc/81/31/11/555813111.db2.gz GCXVDLZKQOWYIE-DEOSSOPVSA-N 1 1 491.636 4.147 50 0 JIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565101 555819498 /nfs/dbraw/zinc/81/94/98/555819498.db2.gz XECUZJXAEBBFLT-UHFFFAOYSA-N 1 1 487.629 4.404 50 0 JIAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014540103 555830071 /nfs/dbraw/zinc/83/00/71/555830071.db2.gz VYDCTXRYKASJNA-HXUWFJFHSA-N 1 1 457.018 4.325 50 0 JIAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014540103 555830076 /nfs/dbraw/zinc/83/00/76/555830076.db2.gz VYDCTXRYKASJNA-HXUWFJFHSA-N 1 1 457.018 4.325 50 0 JIAAMO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc12 ZINC000020597582 555839323 /nfs/dbraw/zinc/83/93/23/555839323.db2.gz CWFWGYVYPCDWFX-UHFFFAOYSA-N 1 1 453.030 4.327 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c2ccccc12 ZINC000011869062 555845648 /nfs/dbraw/zinc/84/56/48/555845648.db2.gz SXKAYVAOUWYUSP-OAQYLSRUSA-N 1 1 483.616 4.308 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(OC)cc2OC)CCO3)C1 ZINC000011871597 555847158 /nfs/dbraw/zinc/84/71/58/555847158.db2.gz KUQAZDQPWWWSGM-XMMPIXPASA-N 1 1 495.664 4.179 50 0 JIAAMO O=C(c1cccs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020775321 555847751 /nfs/dbraw/zinc/84/77/51/555847751.db2.gz STMGHSKUGRYBRM-RUZDIDTESA-N 1 1 490.673 4.392 50 0 JIAAMO CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011910334 555857716 /nfs/dbraw/zinc/85/77/16/555857716.db2.gz ACGSVGLTOUCARZ-XMMPIXPASA-N 1 1 495.023 4.398 50 0 JIAAMO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)C(=O)N1C1CCCC1 ZINC000011912074 555860267 /nfs/dbraw/zinc/86/02/67/555860267.db2.gz WKRNUQSEJYVOAW-NDEPHWFRSA-N 1 1 489.595 4.390 50 0 JIAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+](C)CCOc1ccccc1C ZINC000015099916 555876790 /nfs/dbraw/zinc/87/67/90/555876790.db2.gz URGQWRZWGWUZDG-UHFFFAOYSA-N 1 1 477.561 4.214 50 0 JIAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+](C)CCOc1ccccc1C ZINC000015099916 555876792 /nfs/dbraw/zinc/87/67/92/555876792.db2.gz URGQWRZWGWUZDG-UHFFFAOYSA-N 1 1 477.561 4.214 50 0 JIAAMO COc1cccc(CCNC(=O)[C@@H]2CC23CC[NH+](Cc2cc(OC)c(OC)cc2Cl)CC3)c1 ZINC000012100166 555907808 /nfs/dbraw/zinc/90/78/08/555907808.db2.gz WNVDRHJJDLCJPP-NRFANRHFSA-N 1 1 473.013 4.327 50 0 JIAAMO CCC[C@@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000012150497 555922865 /nfs/dbraw/zinc/92/28/65/555922865.db2.gz KWYJANOWDKSMFL-RDGATRHJSA-N 1 1 494.602 4.492 50 0 JIAAMO CCC[C@@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000012150497 555922867 /nfs/dbraw/zinc/92/28/67/555922867.db2.gz KWYJANOWDKSMFL-RDGATRHJSA-N 1 1 494.602 4.492 50 0 JIAAMO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012158894 555929584 /nfs/dbraw/zinc/92/95/84/555929584.db2.gz OJBGCYOAJINTHQ-QFIPXVFZSA-N 1 1 476.606 4.180 50 0 JIAAMO COc1cc(CN2C(=O)CC[C@@H]3C[N@H+](C/C=C/c4ccccc4)CC[C@@H]32)cc(OC)c1OC ZINC000012161441 555930967 /nfs/dbraw/zinc/93/09/67/555930967.db2.gz KRXVHDREOFRQPX-ROOIWUQASA-N 1 1 450.579 4.239 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)[N@H+](Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012191647 555939125 /nfs/dbraw/zinc/93/91/25/555939125.db2.gz RIMUBBNDHJDUKU-FTJBHMTQSA-N 1 1 497.705 4.220 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)[N@@H+](Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012191647 555939128 /nfs/dbraw/zinc/93/91/28/555939128.db2.gz RIMUBBNDHJDUKU-FTJBHMTQSA-N 1 1 497.705 4.220 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012191647 555939130 /nfs/dbraw/zinc/93/91/30/555939130.db2.gz RIMUBBNDHJDUKU-FTJBHMTQSA-N 1 1 497.705 4.220 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012191647 555939131 /nfs/dbraw/zinc/93/91/31/555939131.db2.gz RIMUBBNDHJDUKU-FTJBHMTQSA-N 1 1 497.705 4.220 50 0 JIAAMO O=C(CC[NH+]1CCN(Cc2ccc(Br)s2)CC1)Nc1ccc(Cl)cc1F ZINC000022932390 555985282 /nfs/dbraw/zinc/98/52/82/555985282.db2.gz XLQYJIRJEFEWLL-UHFFFAOYSA-N 1 1 460.800 4.450 50 0 JIAAMO COc1ccc(OCC[NH+]2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000022935009 555987901 /nfs/dbraw/zinc/98/79/01/555987901.db2.gz XDVCTTGHJBKXIV-UHFFFAOYSA-N 1 1 452.382 4.027 50 0 JIAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938424 555991793 /nfs/dbraw/zinc/99/17/93/555991793.db2.gz JWMSBKMDMZYZDR-SFHVURJKSA-N 1 1 460.372 4.124 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2)cc1 ZINC000012521067 555992222 /nfs/dbraw/zinc/99/22/22/555992222.db2.gz CHGMWIQKNZGDME-QHCPKHFHSA-N 1 1 467.591 4.346 50 0 JIAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(C(C)C)c(C)c3)CC2)ccc1C(C)C ZINC000022942212 555992615 /nfs/dbraw/zinc/99/26/15/555992615.db2.gz ODMCENJBMASFNK-WMPKNSHKSA-N 1 1 498.708 4.347 50 0 JIAAMO Cc1cc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(C)C)c(C)c3)CC2)ccc1C(C)C ZINC000022942212 555992620 /nfs/dbraw/zinc/99/26/20/555992620.db2.gz ODMCENJBMASFNK-WMPKNSHKSA-N 1 1 498.708 4.347 50 0 JIAAMO CCCCn1c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000012530004 555999975 /nfs/dbraw/zinc/99/99/75/555999975.db2.gz OSCQROGMZONHBZ-QHCPKHFHSA-N 1 1 454.621 4.425 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cc(C)cc(C)c2)cc1 ZINC000015836181 556020944 /nfs/dbraw/zinc/02/09/44/556020944.db2.gz HOSMSDPINSISGX-UHFFFAOYSA-N 1 1 491.657 4.152 50 0 JIAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)CC1 ZINC000023175092 556026853 /nfs/dbraw/zinc/02/68/53/556026853.db2.gz HLARJPPAPYIBNO-CTNGQTDRSA-N 1 1 497.690 4.183 50 0 JIAAMO C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181217 556027528 /nfs/dbraw/zinc/02/75/28/556027528.db2.gz FAASTZBFOFQYLH-KBMIEXCESA-N 1 1 463.603 4.154 50 0 JIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[N@@H+](Cc4ccccc4)CC3)cc2)cc1 ZINC000023354998 556048419 /nfs/dbraw/zinc/04/84/19/556048419.db2.gz LUDJNJJSUUOWHU-UHFFFAOYSA-N 1 1 472.589 4.094 50 0 JIAAMO Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000015944292 556080559 /nfs/dbraw/zinc/08/05/59/556080559.db2.gz HPXWOFVLTDIXGB-UHFFFAOYSA-N 1 1 497.661 4.290 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010198 556109872 /nfs/dbraw/zinc/10/98/72/556109872.db2.gz PCDJELKRSHFNHY-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010198 556109874 /nfs/dbraw/zinc/10/98/74/556109874.db2.gz PCDJELKRSHFNHY-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000024022632 556116562 /nfs/dbraw/zinc/11/65/62/556116562.db2.gz GRHYRVDULSAIJX-GDLZYMKVSA-N 1 1 496.611 4.226 50 0 JIAAMO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012908354 556127483 /nfs/dbraw/zinc/12/74/83/556127483.db2.gz KNSDSTQWSMYLDY-UHFFFAOYSA-N 1 1 488.632 4.372 50 0 JIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nnc(-c3cccs3)n2CC(N)=O)n1 ZINC000012909762 556128694 /nfs/dbraw/zinc/12/86/94/556128694.db2.gz TZAHARZETCMJTD-UHFFFAOYSA-N 1 1 487.680 4.106 50 0 JIAAMO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000012909820 556128799 /nfs/dbraw/zinc/12/87/99/556128799.db2.gz CVJCJTHGGKVPLF-SQHAQQRYSA-N 1 1 484.575 4.039 50 0 JIAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2cccs2)cc1 ZINC000012920799 556139344 /nfs/dbraw/zinc/13/93/44/556139344.db2.gz PEZOMQQOILXIKJ-XMMPIXPASA-N 1 1 469.632 4.159 50 0 JIAAMO COc1ccc(Cn2c(C)cc(O)c([C@@H](c3cccnc3)[NH+]3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000016993486 556197603 /nfs/dbraw/zinc/19/76/03/556197603.db2.gz INLGWKYAOWJPJG-GDLZYMKVSA-N 1 1 496.611 4.226 50 0 JIAAMO CCOc1c(Br)cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000025459766 556216708 /nfs/dbraw/zinc/21/67/08/556216708.db2.gz BJLLSKKGSCPJPH-UHFFFAOYSA-N 1 1 461.400 4.423 50 0 JIAAMO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000027439698 556278348 /nfs/dbraw/zinc/27/83/48/556278348.db2.gz OMZCMEYTWSXEPZ-UHFFFAOYSA-N 1 1 485.947 4.392 50 0 biogenic,investigational JIAAMO Cc1cc(C)n(CC(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4cccs4)c3)CC2)n1 ZINC000055042081 569590496 /nfs/dbraw/zinc/59/04/96/569590496.db2.gz HSMVYYGMGDAHQN-UHFFFAOYSA-N 1 1 452.624 4.263 50 0 JIAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000055245477 569591366 /nfs/dbraw/zinc/59/13/66/569591366.db2.gz JLHWBEQCWOQDPW-MHZLTWQESA-N 1 1 451.611 4.160 50 0 JIAAMO CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)CC3)cc1 ZINC000055576315 569592323 /nfs/dbraw/zinc/59/23/23/569592323.db2.gz PQRBUIOZBVLYPK-DHIUTWEWSA-N 1 1 464.635 4.208 50 0 JIAAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000057015883 569593909 /nfs/dbraw/zinc/59/39/09/569593909.db2.gz JZSLTYFERHGGKP-UQBPGWFLSA-N 1 1 465.619 4.447 50 0 JIAAMO O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033012593 569617512 /nfs/dbraw/zinc/61/75/12/569617512.db2.gz TUAZVIJNNJLBKA-UHFFFAOYSA-N 1 1 454.530 4.127 50 0 JIAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CC[N@H+]1CCCC[C@H]1C)C3=O ZINC000033332088 569624793 /nfs/dbraw/zinc/62/47/93/569624793.db2.gz NWHPHEKDSYMWAD-PIIWDFAUSA-N 1 1 480.653 4.188 50 0 JIAAMO CC[N@@H+](CCNC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1)Cc1ccccc1 ZINC000064872972 569640775 /nfs/dbraw/zinc/64/07/75/569640775.db2.gz NXVUQBRQXXLBOT-UHFFFAOYSA-N 1 1 461.585 4.137 50 0 JIAAMO Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCCC[NH+]3CCOCC3)cc2)c1 ZINC000034675492 569641141 /nfs/dbraw/zinc/64/11/41/569641141.db2.gz MGYKEMFNLXOVEK-UHFFFAOYSA-N 1 1 477.649 4.099 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023518 569649790 /nfs/dbraw/zinc/64/97/90/569649790.db2.gz APWQGZLYVVIUDV-HSZRJFAPSA-N 1 1 461.585 4.137 50 0 JIAAMO C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062309 569655786 /nfs/dbraw/zinc/65/57/86/569655786.db2.gz XMGBXZCBOWDNOV-KRWDZBQOSA-N 1 1 490.135 4.209 50 0 JIAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)CC1 ZINC000034761595 569658003 /nfs/dbraw/zinc/65/80/03/569658003.db2.gz GAEWYOSGAOJVJF-JCMHNJIXSA-N 1 1 467.566 4.228 50 0 JIAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787124 569659473 /nfs/dbraw/zinc/65/94/73/569659473.db2.gz KPLKAKGHCJKNSA-AREMUKBSSA-N 1 1 453.652 4.337 50 0 JIAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787124 569659474 /nfs/dbraw/zinc/65/94/74/569659474.db2.gz KPLKAKGHCJKNSA-AREMUKBSSA-N 1 1 453.652 4.337 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787207 569659522 /nfs/dbraw/zinc/65/95/22/569659522.db2.gz ZVTAQSQUYSHWSG-AREMUKBSSA-N 1 1 465.663 4.337 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787207 569659523 /nfs/dbraw/zinc/65/95/23/569659523.db2.gz ZVTAQSQUYSHWSG-AREMUKBSSA-N 1 1 465.663 4.337 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034787296 569659745 /nfs/dbraw/zinc/65/97/45/569659745.db2.gz MCLGHVDLVURUFC-AREMUKBSSA-N 1 1 477.605 4.209 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034787296 569659746 /nfs/dbraw/zinc/65/97/46/569659746.db2.gz MCLGHVDLVURUFC-AREMUKBSSA-N 1 1 477.605 4.209 50 0 JIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830057 569663527 /nfs/dbraw/zinc/66/35/27/569663527.db2.gz XKCWTACZOPBOHR-MHZLTWQESA-N 1 1 493.698 4.451 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034830327 569663897 /nfs/dbraw/zinc/66/38/97/569663897.db2.gz JQICXOFZQSMVNL-CPJSRVTESA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000034830376 569663960 /nfs/dbraw/zinc/66/39/60/569663960.db2.gz FWOQIYZXXHKJHC-GBXCKJPGSA-N 1 1 467.679 4.500 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)[C@H]1c1ccccc1 ZINC000034927908 569673349 /nfs/dbraw/zinc/67/33/49/569673349.db2.gz UNTUVIRHLQGZMP-URLMMPGGSA-N 1 1 497.639 4.267 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@]2(c3ccccc3NC2=O)[C@H]2CCC[N@H+]21 ZINC000035374614 569684110 /nfs/dbraw/zinc/68/41/10/569684110.db2.gz JOPUQPAPCXEEHS-ADTKTOCISA-N 1 1 463.537 4.010 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@]21[C@H](C(=O)c2ccccc2)[C@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000035374518 569684217 /nfs/dbraw/zinc/68/42/17/569684217.db2.gz NEPASYFAGKCLAO-CRKZPIATSA-N 1 1 463.537 4.010 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1)Cc1ccccc1 ZINC000035398144 569688865 /nfs/dbraw/zinc/68/88/65/569688865.db2.gz LLJUDLLLVLVYNH-RUZDIDTESA-N 1 1 457.622 4.307 50 0 JIAAMO O=C(Nc1cccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1)c1ccco1 ZINC000069926038 569693931 /nfs/dbraw/zinc/69/39/31/569693931.db2.gz BVENPPWHFVQOSA-UHFFFAOYSA-N 1 1 458.518 4.071 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)c1 ZINC000070006769 569694618 /nfs/dbraw/zinc/69/46/18/569694618.db2.gz LKBHMWKUYPACOG-FQEVSTJZSA-N 1 1 471.623 4.023 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)c1 ZINC000070006769 569694619 /nfs/dbraw/zinc/69/46/19/569694619.db2.gz LKBHMWKUYPACOG-FQEVSTJZSA-N 1 1 471.623 4.023 50 0 JIAAMO C[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454173 569697412 /nfs/dbraw/zinc/69/74/12/569697412.db2.gz YFVNZYNFFOSIJQ-ROUUACIJSA-N 1 1 459.034 4.300 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843340 569714420 /nfs/dbraw/zinc/71/44/20/569714420.db2.gz DSURUBCWJNTTIP-FLFXDLLNSA-N 1 1 470.356 4.041 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000085878800 569716328 /nfs/dbraw/zinc/71/63/28/569716328.db2.gz IFCCIXNUNRNEOZ-RLBRRGQKSA-N 1 1 479.665 4.099 50 0 biogenic JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851701 569716538 /nfs/dbraw/zinc/71/65/38/569716538.db2.gz PDLCOTZAEQZHFB-SYSFZUQMSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851701 569716539 /nfs/dbraw/zinc/71/65/39/569716539.db2.gz PDLCOTZAEQZHFB-SYSFZUQMSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](CCc4ccccc4)C[C@H]23)cc1OC ZINC000035870026 569718050 /nfs/dbraw/zinc/71/80/50/569718050.db2.gz DBXWCYGZMPBZQJ-AOYPEHQESA-N 1 1 471.601 4.248 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000035872075 569719048 /nfs/dbraw/zinc/71/90/48/569719048.db2.gz QLIWHDWHGHXULO-SHQCIBLASA-N 1 1 477.555 4.153 50 0 JIAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)CC1 ZINC000095546830 569727362 /nfs/dbraw/zinc/72/73/62/569727362.db2.gz GXLZNGPALHQNDI-UHFFFAOYSA-N 1 1 477.565 4.346 50 0 JIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3ccccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000097497916 569745229 /nfs/dbraw/zinc/74/52/29/569745229.db2.gz NXEUHYNOOZVOSO-YCWZKWCFSA-N 1 1 493.563 4.100 50 0 JIAAMO Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC[NH+](C)C)C(=O)CC(C)(C)C)n1CC(C)C ZINC000036039773 569752692 /nfs/dbraw/zinc/75/26/92/569752692.db2.gz CKQVCCHCAOTNRY-UHFFFAOYSA-N 1 1 490.714 4.148 50 0 JIAAMO O=C(NCCc1ccccc1)[C@@H](C1CCCC1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036311076 569759387 /nfs/dbraw/zinc/75/93/87/569759387.db2.gz CWHRCSCHGFIZPS-XMMPIXPASA-N 1 1 468.642 4.058 50 0 JIAAMO CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000036312130 569759988 /nfs/dbraw/zinc/75/99/88/569759988.db2.gz CYOHUUWIAZAAGA-UHFFFAOYSA-N 1 1 454.521 4.422 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036341382 569764541 /nfs/dbraw/zinc/76/45/41/569764541.db2.gz OTRHNPDMNFIQNM-DHLKQENFSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036341382 569764542 /nfs/dbraw/zinc/76/45/42/569764542.db2.gz OTRHNPDMNFIQNM-DHLKQENFSA-N 1 1 477.605 4.265 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344906 569767377 /nfs/dbraw/zinc/76/73/77/569767377.db2.gz BDTAHIJPHDNRBO-GDLZYMKVSA-N 1 1 482.628 4.499 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2OC)C1 ZINC000036345342 569767842 /nfs/dbraw/zinc/76/78/42/569767842.db2.gz QVJIFSXSVWTPLS-OFVILXPXSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2OC)C1 ZINC000036345342 569767843 /nfs/dbraw/zinc/76/78/43/569767843.db2.gz QVJIFSXSVWTPLS-OFVILXPXSA-N 1 1 477.605 4.265 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CN1CCOCC1 ZINC000036346076 569768834 /nfs/dbraw/zinc/76/88/34/569768834.db2.gz LWUBUQLVWBFRGO-QHCPKHFHSA-N 1 1 482.600 4.017 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)[C@H](c3ccco3)C2)cc1 ZINC000036435365 569775677 /nfs/dbraw/zinc/77/56/77/569775677.db2.gz NKSXJLAMASCYPH-BWKNWUBXSA-N 1 1 486.572 4.317 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)[C@H](c3ccco3)C2)cc1 ZINC000036435365 569775680 /nfs/dbraw/zinc/77/56/80/569775680.db2.gz NKSXJLAMASCYPH-BWKNWUBXSA-N 1 1 486.572 4.317 50 0 JIAAMO CCOC(=O)c1c(C)oc2ncnc(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c21 ZINC000037008904 569781184 /nfs/dbraw/zinc/78/11/84/569781184.db2.gz NSXFHWTXBOKGER-GOSISDBHSA-N 1 1 451.571 4.029 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101343026 569793589 /nfs/dbraw/zinc/79/35/89/569793589.db2.gz QVQZBZKNTZZNHW-ZHSNQQFMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343026 569793590 /nfs/dbraw/zinc/79/35/90/569793590.db2.gz QVQZBZKNTZZNHW-ZHSNQQFMSA-N 1 1 490.774 4.386 50 0 JIAAMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497513 569800676 /nfs/dbraw/zinc/80/06/76/569800676.db2.gz NNBBJEOQUSYCLI-GOSISDBHSA-N 1 1 499.681 4.490 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497513 569800678 /nfs/dbraw/zinc/80/06/78/569800678.db2.gz NNBBJEOQUSYCLI-GOSISDBHSA-N 1 1 499.681 4.490 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000101878873 569806812 /nfs/dbraw/zinc/80/68/12/569806812.db2.gz ABBIJSNMMSOBDU-UHFFFAOYSA-N 1 1 464.997 4.355 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878873 569806814 /nfs/dbraw/zinc/80/68/14/569806814.db2.gz ABBIJSNMMSOBDU-UHFFFAOYSA-N 1 1 464.997 4.355 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(Cl)ccc1C)CC[N@H+](Cc1ccccc1)C2 ZINC000101878946 569807073 /nfs/dbraw/zinc/80/70/73/569807073.db2.gz GMYMPVTVXMLAJC-UHFFFAOYSA-N 1 1 464.997 4.355 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(Cl)ccc1C)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878946 569807074 /nfs/dbraw/zinc/80/70/74/569807074.db2.gz GMYMPVTVXMLAJC-UHFFFAOYSA-N 1 1 464.997 4.355 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3ccc(NC(=O)c4ccc(OC)cc4)cc3)CC2)C1 ZINC000039371998 569809559 /nfs/dbraw/zinc/80/95/59/569809559.db2.gz XQUHGECKWHICLT-HSZRJFAPSA-N 1 1 492.664 4.497 50 0 JIAAMO Cc1ccc(-c2noc(CCC(=O)NN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000039996841 569813501 /nfs/dbraw/zinc/81/35/01/569813501.db2.gz UVOOIBDWTNAMFB-UHFFFAOYSA-N 1 1 481.600 4.416 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCCCCC3)CC2)C1 ZINC000040135633 569817424 /nfs/dbraw/zinc/81/74/24/569817424.db2.gz KDXGGWVUSRDKKX-BGYRXZFFSA-N 1 1 450.627 4.096 50 0 JIAAMO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Br)cn4)C3)n2)cc1 ZINC000040149600 569819284 /nfs/dbraw/zinc/81/92/84/569819284.db2.gz PUZREILTONDRID-MRXNPFEDSA-N 1 1 486.370 4.144 50 0 JIAAMO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Br)cn4)C3)n2)cc1 ZINC000040149600 569819285 /nfs/dbraw/zinc/81/92/85/569819285.db2.gz PUZREILTONDRID-MRXNPFEDSA-N 1 1 486.370 4.144 50 0 JIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)N2[C@@H]1c1ccccc1Cl ZINC000102940420 569829464 /nfs/dbraw/zinc/82/94/64/569829464.db2.gz XENKHXIEDMXBBM-KSFYIVLOSA-N 1 1 489.041 4.079 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000104104417 569840963 /nfs/dbraw/zinc/84/09/63/569840963.db2.gz GUUPDMWWFXFUDR-ILBGXUMGSA-N 1 1 467.569 4.359 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984432 569848538 /nfs/dbraw/zinc/84/85/38/569848538.db2.gz RAROPIHSGXIZIS-FCHUYYIVSA-N 1 1 462.949 4.179 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC)C[C@@H]1CCCO1 ZINC000105001942 569848964 /nfs/dbraw/zinc/84/89/64/569848964.db2.gz RRRBXZYWRFBZCO-VWNXMTODSA-N 1 1 465.594 4.215 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC)C[C@@H]1CCCO1 ZINC000105001942 569848965 /nfs/dbraw/zinc/84/89/65/569848965.db2.gz RRRBXZYWRFBZCO-VWNXMTODSA-N 1 1 465.594 4.215 50 0 JIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COC(C)C)C(C)C)cc1 ZINC000105004251 569849600 /nfs/dbraw/zinc/84/96/00/569849600.db2.gz LBKGXMYTMVBARQ-QPPBQGQZSA-N 1 1 474.667 4.058 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007687 569850221 /nfs/dbraw/zinc/85/02/21/569850221.db2.gz IPXGZJKTVJVGMS-FDDCHVKYSA-N 1 1 471.960 4.432 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007687 569850223 /nfs/dbraw/zinc/85/02/23/569850223.db2.gz IPXGZJKTVJVGMS-FDDCHVKYSA-N 1 1 471.960 4.432 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105008624 569850333 /nfs/dbraw/zinc/85/03/33/569850333.db2.gz JLXYSXCUAYQIHC-NTKDMRAZSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105008624 569850334 /nfs/dbraw/zinc/85/03/34/569850334.db2.gz JLXYSXCUAYQIHC-NTKDMRAZSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009917 569850547 /nfs/dbraw/zinc/85/05/47/569850547.db2.gz SVIGNYUJYNOFTI-WMZHIEFXSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009917 569850548 /nfs/dbraw/zinc/85/05/48/569850548.db2.gz SVIGNYUJYNOFTI-WMZHIEFXSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000105010842 569850880 /nfs/dbraw/zinc/85/08/80/569850880.db2.gz MRWQCAVWYXROEM-PXDATVDWSA-N 1 1 481.568 4.177 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000105010842 569850881 /nfs/dbraw/zinc/85/08/81/569850881.db2.gz MRWQCAVWYXROEM-PXDATVDWSA-N 1 1 481.568 4.177 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@@H](C)C1 ZINC000105059891 569852606 /nfs/dbraw/zinc/85/26/06/569852606.db2.gz JIXJTVLNXWVRHU-DCFHFQCYSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@@H](C)C1 ZINC000105059891 569852607 /nfs/dbraw/zinc/85/26/07/569852607.db2.gz JIXJTVLNXWVRHU-DCFHFQCYSA-N 1 1 493.698 4.368 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000169684083 569871272 /nfs/dbraw/zinc/87/12/72/569871272.db2.gz CKKCCESDYTVDKH-NHCUHLMSSA-N 1 1 465.527 4.321 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000169684083 569871273 /nfs/dbraw/zinc/87/12/73/569871273.db2.gz CKKCCESDYTVDKH-NHCUHLMSSA-N 1 1 465.527 4.321 50 0 JIAAMO COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000221149242 569883683 /nfs/dbraw/zinc/88/36/83/569883683.db2.gz MXDSJQHFFDGFDK-CYBMUJFWSA-N 1 1 459.909 4.309 50 0 in-vitro JIAAMO COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000221149242 569883684 /nfs/dbraw/zinc/88/36/84/569883684.db2.gz MXDSJQHFFDGFDK-CYBMUJFWSA-N 1 1 459.909 4.309 50 0 in-vitro JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000229667773 570040967 /nfs/dbraw/zinc/04/09/67/570040967.db2.gz PICJIFBNVOJSFY-HWUWQJTLSA-N 1 1 477.564 4.318 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000230138068 570045773 /nfs/dbraw/zinc/04/57/73/570045773.db2.gz IJDNGSDGRNZCKZ-NOZRDPDXSA-N 1 1 456.030 4.374 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246411 570059303 /nfs/dbraw/zinc/05/93/03/570059303.db2.gz KXOXXXPWMZQJKL-DWKCODDLSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246411 570059304 /nfs/dbraw/zinc/05/93/04/570059304.db2.gz KXOXXXPWMZQJKL-DWKCODDLSA-N 1 1 490.774 4.386 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC)C[C@H]1CCCO1 ZINC000245280752 570061864 /nfs/dbraw/zinc/06/18/64/570061864.db2.gz RRRBXZYWRFBZCO-ISKFKSNPSA-N 1 1 465.594 4.215 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC)C[C@H]1CCCO1 ZINC000245280752 570061866 /nfs/dbraw/zinc/06/18/66/570061866.db2.gz RRRBXZYWRFBZCO-ISKFKSNPSA-N 1 1 465.594 4.215 50 0 JIAAMO O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12)N1CCOCC1 ZINC000247957669 570071765 /nfs/dbraw/zinc/07/17/65/570071765.db2.gz WDFKFJPXMZHUFO-JTHBVZDNSA-N 1 1 493.957 4.081 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000247992788 570072292 /nfs/dbraw/zinc/07/22/92/570072292.db2.gz LCJVZPNPNZRRDI-UHFFFAOYSA-N 1 1 481.591 4.456 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248340332 570078089 /nfs/dbraw/zinc/07/80/89/570078089.db2.gz UUOSSWBURFOJPQ-LYXWCMDISA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4c(C)cccc4C)CC3)C2)nc2ccccc21 ZINC000249698243 570078764 /nfs/dbraw/zinc/07/87/64/570078764.db2.gz VRYUQYKBDQDITN-QHCPKHFHSA-N 1 1 459.638 4.234 50 0 JIAAMO CC[N@@H+](CCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21)Cc1ccccc1 ZINC000002943888 194175452 /nfs/dbraw/zinc/17/54/52/194175452.db2.gz JZDRDIQFKDUTQK-UHFFFAOYSA-N 1 1 470.573 4.036 50 0 JIAAMO CC[N@@H+](CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21)Cc1ccccc1 ZINC000002943988 194175848 /nfs/dbraw/zinc/17/58/48/194175848.db2.gz HONXWILLQBWVFX-UHFFFAOYSA-N 1 1 470.573 4.036 50 0 JIAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCc3ccc(C[N@H+]4CCCC[C@H]4CC)o3)c(=O)c21 ZINC000009153459 194571222 /nfs/dbraw/zinc/57/12/22/194571222.db2.gz JCRYRVWRWYOKKR-HXUWFJFHSA-N 1 1 489.620 4.435 50 0 JIAAMO Cc1c2cc(Cl)c3c(c2oc(=O)c1Cc1ccccc1)CN(CCC[NH+]1CCOCC1)CO3 ZINC000009409559 194754229 /nfs/dbraw/zinc/75/42/29/194754229.db2.gz AWSQDCLDQPJZJG-UHFFFAOYSA-N 1 1 468.981 4.220 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC000012757448 195109178 /nfs/dbraw/zinc/10/91/78/195109178.db2.gz YSTUZEYIXNLTLR-FQEVSTJZSA-N 1 1 484.449 4.201 50 0 JIAAMO O=c1c(Cl)c(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cnn1-c1ccccc1 ZINC000012771651 195117920 /nfs/dbraw/zinc/11/79/20/195117920.db2.gz QTDRVKLFGAQQKD-UHFFFAOYSA-N 1 1 452.345 4.414 50 0 JIAAMO CCOc1ccccc1-c1nc(C(=O)NCCC[NH+]2CCOCC2)cc2c3ccccc3[nH]c21 ZINC000020610374 195183665 /nfs/dbraw/zinc/18/36/65/195183665.db2.gz RHZVNUFTHSVBMQ-UHFFFAOYSA-N 1 1 458.562 4.234 50 0 biogenic JIAAMO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CC[NH+](CCc4ccccn4)CC3)c(C)c21 ZINC000020624645 195191167 /nfs/dbraw/zinc/19/11/67/195191167.db2.gz JRYDRMFCVHZTIN-UHFFFAOYSA-N 1 1 473.573 4.097 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(F)c3)Oc3ccccc32)C1 ZINC000020730699 195209999 /nfs/dbraw/zinc/20/99/99/195209999.db2.gz BQPMHRMSNBOYRR-LZSGNZRWSA-N 1 1 465.569 4.076 50 0 JIAAMO COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@H+](Cc1ccc(SC)cc1)CC2 ZINC000020996696 195264924 /nfs/dbraw/zinc/26/49/24/195264924.db2.gz XGMVSGQRMWDPNQ-UHFFFAOYSA-N 1 1 482.577 4.133 50 0 JIAAMO COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000020996696 195264927 /nfs/dbraw/zinc/26/49/27/195264927.db2.gz XGMVSGQRMWDPNQ-UHFFFAOYSA-N 1 1 482.577 4.133 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158994 195285836 /nfs/dbraw/zinc/28/58/36/195285836.db2.gz SGCJQLGUSGFQJH-NRFANRHFSA-N 1 1 477.628 4.431 50 0 JIAAMO CC(C)[N@@H+](CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000021163768 195288560 /nfs/dbraw/zinc/28/85/60/195288560.db2.gz OTYJEDHALVVOQG-UHFFFAOYSA-N 1 1 451.640 4.325 50 0 JIAAMO C[N@@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915291 195332039 /nfs/dbraw/zinc/33/20/39/195332039.db2.gz FJOQKBFBQMLLCJ-UHFFFAOYSA-N 1 1 456.590 4.385 50 0 JIAAMO C[N@@H+](Cc1ccccc1NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C1CCCCC1 ZINC000057585540 195350921 /nfs/dbraw/zinc/35/09/21/195350921.db2.gz JICYYQOGBWYAED-XMMPIXPASA-N 1 1 475.699 4.211 50 0 JIAAMO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000058085828 195364506 /nfs/dbraw/zinc/36/45/06/195364506.db2.gz HTDOEWUNEUJYTI-FCHUYYIVSA-N 1 1 468.450 4.405 50 0 JIAAMO CCCC[N@@H+](C)CC1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CC1 ZINC000059394389 195398499 /nfs/dbraw/zinc/39/84/99/195398499.db2.gz YABIQKMYSSBSHD-UHFFFAOYSA-N 1 1 457.928 4.248 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102885974 130366799 /nfs/dbraw/zinc/36/67/99/130366799.db2.gz PRQCOHVPGGEQMN-JPXDGAFASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102885974 130366804 /nfs/dbraw/zinc/36/68/04/130366804.db2.gz PRQCOHVPGGEQMN-JPXDGAFASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103537794 130642599 /nfs/dbraw/zinc/64/25/99/130642599.db2.gz NJXYULHSTSKAPV-FLFXDLLNSA-N 1 1 470.356 4.041 50 0 JIAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014995080 519395007 /nfs/dbraw/zinc/39/50/07/519395007.db2.gz QNFRBPZEAWGUSD-IBGZPJMESA-N 1 1 475.515 4.465 50 0 JIAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014995080 519395013 /nfs/dbraw/zinc/39/50/13/519395013.db2.gz QNFRBPZEAWGUSD-IBGZPJMESA-N 1 1 475.515 4.465 50 0 JIAAMO CC(=O)N1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3cccc(C)c3)n2)CC1 ZINC000036064027 519582040 /nfs/dbraw/zinc/58/20/40/519582040.db2.gz WNEPFWCCQHUHEP-UHFFFAOYSA-N 1 1 499.615 4.014 50 0 JIAAMO CC(=O)N1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3cccc(C)c3)n2)CC1 ZINC000036064027 519582050 /nfs/dbraw/zinc/58/20/50/519582050.db2.gz WNEPFWCCQHUHEP-UHFFFAOYSA-N 1 1 499.615 4.014 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146326 519881239 /nfs/dbraw/zinc/88/12/39/519881239.db2.gz RAROPIHSGXIZIS-YADHBBJMSA-N 1 1 462.949 4.179 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COCc1ccco1 ZINC000036309939 520318426 /nfs/dbraw/zinc/31/84/26/520318426.db2.gz IMKSQKYNHQRJTC-URXFXBBRSA-N 1 1 498.645 4.054 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1)Cc1ccccc1 ZINC000064929069 521067418 /nfs/dbraw/zinc/06/74/18/521067418.db2.gz XQVZFZQJMXQBBC-HSZRJFAPSA-N 1 1 461.585 4.137 50 0 JIAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309127 521181297 /nfs/dbraw/zinc/18/12/97/521181297.db2.gz ODWRUIWCKMYZIS-URXFXBBRSA-N 1 1 474.667 4.061 50 0 JIAAMO CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000033297900 521196534 /nfs/dbraw/zinc/19/65/34/521196534.db2.gz QYPJCBWSMKKSIZ-KAMYIIQDSA-N 1 1 486.638 4.141 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036309622 521536599 /nfs/dbraw/zinc/53/65/99/521536599.db2.gz QZRYXBNOHVKRHD-QPPBQGQZSA-N 1 1 492.657 4.138 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697782 522062045 /nfs/dbraw/zinc/06/20/45/522062045.db2.gz BKVZEHUTOFCGOV-AREMUKBSSA-N 1 1 497.636 4.281 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697642 522065616 /nfs/dbraw/zinc/06/56/16/522065616.db2.gz IAPCCWWXFCYDQR-RUZDIDTESA-N 1 1 485.987 4.213 50 0 JIAAMO CC[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000012327678 522388147 /nfs/dbraw/zinc/38/81/47/522388147.db2.gz LUEWFYDJRLPDKW-RXVVDRJESA-N 1 1 458.400 4.367 50 0 JIAAMO COC(=O)c1sc2nc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)c1ccco1 ZINC000014991379 522435615 /nfs/dbraw/zinc/43/56/15/522435615.db2.gz GDCCNLQENCLDFP-UHFFFAOYSA-N 1 1 493.589 4.443 50 0 JIAAMO COC(=O)c1sc2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)c1ccco1 ZINC000014991379 522435624 /nfs/dbraw/zinc/43/56/24/522435624.db2.gz GDCCNLQENCLDFP-UHFFFAOYSA-N 1 1 493.589 4.443 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](CCOC)C[C@H](O)COC(C)C ZINC000036302707 522643258 /nfs/dbraw/zinc/64/32/58/522643258.db2.gz WOAGOJNNQIRJBR-QHCPKHFHSA-N 1 1 497.636 4.470 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000036302707 522643268 /nfs/dbraw/zinc/64/32/68/522643268.db2.gz WOAGOJNNQIRJBR-QHCPKHFHSA-N 1 1 497.636 4.470 50 0 JIAAMO COc1cc(OC)c(OC)cc1CNc1nc(C)c(-c2ccn(C[C@@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000014981599 522827587 /nfs/dbraw/zinc/82/75/87/522827587.db2.gz LUKGTKMMHHMYFK-QGZVFWFLSA-N 1 1 471.627 4.295 50 0 JIAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000008606708 523188965 /nfs/dbraw/zinc/18/89/65/523188965.db2.gz XEGVLXFNMCYEPP-UHFFFAOYSA-N 1 1 452.555 4.320 50 0 JIAAMO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000036057498 523382151 /nfs/dbraw/zinc/38/21/51/523382151.db2.gz IYIOPCNBPWTIBE-KSENVJNYSA-N 1 1 478.589 4.282 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036305333 523735891 /nfs/dbraw/zinc/73/58/91/523735891.db2.gz JKTYJZXMIHNTIO-QHCPKHFHSA-N 1 1 497.636 4.370 50 0 JIAAMO CC[C@H](C(=O)NCC[N@H+]([C@@H](C)CC)C1CCCCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464985 523775765 /nfs/dbraw/zinc/77/57/65/523775765.db2.gz UUWVEWGVCGHKCK-WMZHIEFXSA-N 1 1 465.642 4.458 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1OC ZINC000019894444 523880143 /nfs/dbraw/zinc/88/01/43/523880143.db2.gz FDXHKBVMRPAAQB-HHHXNRCGSA-N 1 1 485.584 4.131 50 0 JIAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3ccccc3Cl)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000036145836 523881554 /nfs/dbraw/zinc/88/15/54/523881554.db2.gz PNNNBHLZMCUODT-GGAORHGYSA-N 1 1 461.002 4.377 50 0 JIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3ccccc3Cl)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000036145836 523881558 /nfs/dbraw/zinc/88/15/58/523881558.db2.gz PNNNBHLZMCUODT-GGAORHGYSA-N 1 1 461.002 4.377 50 0 JIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036095882 524014263 /nfs/dbraw/zinc/01/42/63/524014263.db2.gz IPSQHGBKZAVYJT-JOCHJYFZSA-N 1 1 465.546 4.183 50 0 JIAAMO CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1CCC[N@H+]12 ZINC000020514159 524035796 /nfs/dbraw/zinc/03/57/96/524035796.db2.gz HWMDVCMUKMUZBX-IEROGBPDSA-N 1 1 476.321 4.022 50 0 biogenic JIAAMO Cc1cc(C)c(-c2cc(NC(=O)CN3CC[NH+](C[C@H]4CCCO4)CC3)n(-c3ccccc3)n2)cc1C ZINC000022790131 524210610 /nfs/dbraw/zinc/21/06/10/524210610.db2.gz CKINCBFEQIEXNY-RUZDIDTESA-N 1 1 487.648 4.200 50 0 JIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(NC(=O)c3nnc(COc4ccccc4)s3)c2)C1 ZINC000033027263 524222242 /nfs/dbraw/zinc/22/22/42/524222242.db2.gz XQZYPCUGMRCWCS-LJQANCHMSA-N 1 1 493.633 4.221 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000012415430 524227782 /nfs/dbraw/zinc/22/77/82/524227782.db2.gz IOWKHDDCGCMVOQ-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012415430 524227792 /nfs/dbraw/zinc/22/77/92/524227792.db2.gz IOWKHDDCGCMVOQ-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022790602 524280421 /nfs/dbraw/zinc/28/04/21/524280421.db2.gz DQADIFXPTXKUKH-FQEVSTJZSA-N 1 1 468.667 4.087 50 0 JIAAMO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022790602 524280426 /nfs/dbraw/zinc/28/04/26/524280426.db2.gz DQADIFXPTXKUKH-FQEVSTJZSA-N 1 1 468.667 4.087 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000012497533 524641303 /nfs/dbraw/zinc/64/13/03/524641303.db2.gz DSRMPLGKCUNPTF-UHFFFAOYSA-N 1 1 493.629 4.199 50 0 JIAAMO Cc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000016347041 524728929 /nfs/dbraw/zinc/72/89/29/524728929.db2.gz UGNGSALEXJAYHG-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 JIAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014995701 524973249 /nfs/dbraw/zinc/97/32/49/524973249.db2.gz WHZANTFDYCKLQL-NRFANRHFSA-N 1 1 493.611 4.164 50 0 JIAAMO COc1ccc(Oc2c(C[N@H+](C[C@@H](C)O)C[C@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000036304594 524991187 /nfs/dbraw/zinc/99/11/87/524991187.db2.gz GWIQHDFUMKBTKI-NTKDMRAZSA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](C)O)C[C@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000036304594 524991199 /nfs/dbraw/zinc/99/11/99/524991199.db2.gz GWIQHDFUMKBTKI-NTKDMRAZSA-N 1 1 451.567 4.343 50 0 JIAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000014978645 525093397 /nfs/dbraw/zinc/09/33/97/525093397.db2.gz NOVZUJCCCVECNZ-OAQYLSRUSA-N 1 1 469.589 4.406 50 0 JIAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014995699 525120330 /nfs/dbraw/zinc/12/03/30/525120330.db2.gz WHZANTFDYCKLQL-OAQYLSRUSA-N 1 1 493.611 4.164 50 0 JIAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2nc3c(C)cccc3c(N3CCCN(C(C)=O)CC3)n2)cc1 ZINC000012244816 525130151 /nfs/dbraw/zinc/13/01/51/525130151.db2.gz AMOYLEUUQMOLFU-HXUWFJFHSA-N 1 1 461.610 4.198 50 0 JIAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc3c(C)cccc3c(N3CCCN(C(C)=O)CC3)n2)cc1 ZINC000012244816 525130159 /nfs/dbraw/zinc/13/01/59/525130159.db2.gz AMOYLEUUQMOLFU-HXUWFJFHSA-N 1 1 461.610 4.198 50 0 JIAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159975 525308420 /nfs/dbraw/zinc/30/84/20/525308420.db2.gz XEIBQANRKFQIIM-SFHVURJKSA-N 1 1 455.624 4.070 50 0 JIAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159975 525308426 /nfs/dbraw/zinc/30/84/26/525308426.db2.gz XEIBQANRKFQIIM-SFHVURJKSA-N 1 1 455.624 4.070 50 0 JIAAMO COc1cccc(-n2c(SCC[NH+]3CCCC3)nnc2C2CCN(Cc3cccnc3)CC2)c1 ZINC000014992932 525748537 /nfs/dbraw/zinc/74/85/37/525748537.db2.gz OZKAPBSHMCLHDS-UHFFFAOYSA-N 1 1 478.666 4.238 50 0 JIAAMO Cc1ccc(-c2nccc(N3CCC[C@H](C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)n2)cc1 ZINC000064928989 525835087 /nfs/dbraw/zinc/83/50/87/525835087.db2.gz HXTLSCGBJQVJRY-VWLOTQADSA-N 1 1 455.606 4.013 50 0 JIAAMO O=C1[C@@H](Oc2ccc(F)cc2Cl)[C@@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048303965 527108711 /nfs/dbraw/zinc/10/87/11/527108711.db2.gz UCWYFZIKBKMUGN-YADHBBJMSA-N 1 1 468.903 4.201 50 0 JIAAMO O=C1c2cc(Br)ccc2N(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000020168739 527121087 /nfs/dbraw/zinc/12/10/87/527121087.db2.gz OLGIQQWBWFYONR-UHFFFAOYSA-N 1 1 490.401 4.343 50 0 JIAAMO O=C(Nc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)Nc1ccc(Cl)cc1 ZINC000022699091 527506966 /nfs/dbraw/zinc/50/69/66/527506966.db2.gz OWPZXLOEOXIGGR-UHFFFAOYSA-N 1 1 469.998 4.327 50 0 JIAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1)c1ccccc1C(F)(F)F ZINC000014996918 527689479 /nfs/dbraw/zinc/68/94/79/527689479.db2.gz QNSMZVCOWUHXDY-UHFFFAOYSA-N 1 1 499.537 4.017 50 0 JIAAMO C[NH2+][C@@H](c1nnnn1[C@@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)C)c1ccccc1 ZINC000001030849 553901145 /nfs/dbraw/zinc/90/11/45/553901145.db2.gz JLBCMYPLTXAQDT-URVUXULASA-N 1 1 466.977 4.092 50 0 JIAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C1 ZINC000008791878 554685154 /nfs/dbraw/zinc/68/51/54/554685154.db2.gz IMWMUPXTXHAHKK-CTNGQTDRSA-N 1 1 468.557 4.109 50 0 biogenic JIAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000008896154 554785650 /nfs/dbraw/zinc/78/56/50/554785650.db2.gz UYCKRJNXEHALTB-SVMVAKDDSA-N 1 1 494.057 4.167 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccco4)c(OC)c2)N3)C1 ZINC000008928018 554825604 /nfs/dbraw/zinc/82/56/04/554825604.db2.gz WKXYYMWMSRXQPZ-HXUWFJFHSA-N 1 1 453.520 4.376 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCc4ccc(SC)cc4)CC3)n2)cc1OC ZINC000009226036 554998598 /nfs/dbraw/zinc/99/85/98/554998598.db2.gz KZACONJZLHRTLQ-UHFFFAOYSA-N 1 1 496.633 4.047 50 0 JIAAMO CC(C)[N@@H+](CCCNC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21)Cc1ccccc1 ZINC000009286915 555060487 /nfs/dbraw/zinc/06/04/87/555060487.db2.gz IJHFAMNSWZRVOJ-UHFFFAOYSA-N 1 1 458.002 4.263 50 0 JIAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cc(C)cc(C)c2)cn3CC)CC1 ZINC000009435662 555207134 /nfs/dbraw/zinc/20/71/34/555207134.db2.gz SVMBOIPCENLFQB-UHFFFAOYSA-N 1 1 485.625 4.142 50 0 JIAAMO COC(=O)c1sc2nc(C[N@@H+](C)CCc3ccccc3)ccc2c1NC(=O)c1cc(C)nn1C ZINC000019835934 555506850 /nfs/dbraw/zinc/50/68/50/555506850.db2.gz UHZSKLNUTKIFOX-UHFFFAOYSA-N 1 1 477.590 4.052 50 0 JIAAMO S=C(NCCC[NH+]1CCOCC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000013729794 555602887 /nfs/dbraw/zinc/60/28/87/555602887.db2.gz BHAHYCKGVPNOIF-UHFFFAOYSA-N 1 1 497.108 4.328 50 0 JIAAMO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000014071361 555679134 /nfs/dbraw/zinc/67/91/34/555679134.db2.gz VNDAQFSJEIJHFY-DEOSSOPVSA-N 1 1 481.618 4.452 50 0 JIAAMO COc1ccc(OC)c(C[NH+]2CCN(c3nc4c(Cl)c(C)nn4c4ccccc43)CC2)c1 ZINC000014071379 555679235 /nfs/dbraw/zinc/67/92/35/555679235.db2.gz TZIIQSLUOULHQH-UHFFFAOYSA-N 1 1 451.958 4.184 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214107 555708701 /nfs/dbraw/zinc/70/87/01/555708701.db2.gz ZZJZTCMLYUWDAI-AUSIDOKSSA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214107 555708704 /nfs/dbraw/zinc/70/87/04/555708704.db2.gz ZZJZTCMLYUWDAI-AUSIDOKSSA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214107 555708706 /nfs/dbraw/zinc/70/87/06/555708706.db2.gz ZZJZTCMLYUWDAI-AUSIDOKSSA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214107 555708709 /nfs/dbraw/zinc/70/87/09/555708709.db2.gz ZZJZTCMLYUWDAI-AUSIDOKSSA-N 1 1 453.970 4.309 50 0 JIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000011088152 555758909 /nfs/dbraw/zinc/75/89/09/555758909.db2.gz CLLUZBCBUYNVRF-QGZVFWFLSA-N 1 1 474.517 4.009 50 0 JIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000011088152 555758912 /nfs/dbraw/zinc/75/89/12/555758912.db2.gz CLLUZBCBUYNVRF-QGZVFWFLSA-N 1 1 474.517 4.009 50 0 JIAAMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccco1 ZINC000014271780 555767608 /nfs/dbraw/zinc/76/76/08/555767608.db2.gz NCHXXKAZLAAMIN-UHFFFAOYSA-N 1 1 454.983 4.382 50 0 JIAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014538695 555828309 /nfs/dbraw/zinc/82/83/09/555828309.db2.gz CCXVMXVGDYWPBN-QFIPXVFZSA-N 1 1 477.008 4.024 50 0 JIAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014538695 555828310 /nfs/dbraw/zinc/82/83/10/555828310.db2.gz CCXVMXVGDYWPBN-QFIPXVFZSA-N 1 1 477.008 4.024 50 0 JIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2O)cc1OC ZINC000020589471 555837850 /nfs/dbraw/zinc/83/78/50/555837850.db2.gz WSJUCSXIMJRREC-IAGOWNOFSA-N 1 1 467.566 4.263 50 0 JIAAMO Cc1c(C(=O)N2CCC([NH+]3CCOCC3)CC2)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 ZINC000020599980 555841397 /nfs/dbraw/zinc/84/13/97/555841397.db2.gz VSRRIUOECXTAMV-JOCHJYFZSA-N 1 1 491.661 4.426 50 0 JIAAMO Cc1c(C(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000015002757 555847955 /nfs/dbraw/zinc/84/79/55/555847955.db2.gz KJFWAENYQZHRMD-OAQYLSRUSA-N 1 1 483.682 4.363 50 0 JIAAMO COc1cc(Cl)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000015005290 555849969 /nfs/dbraw/zinc/84/99/69/555849969.db2.gz SNXOUQHIOPSWST-JOCHJYFZSA-N 1 1 484.040 4.308 50 0 JIAAMO O[C@@H](COC(C(F)(F)F)C(F)(F)F)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022036465 555865197 /nfs/dbraw/zinc/86/51/97/555865197.db2.gz OJVCHMUFIOZZTC-LJQANCHMSA-N 1 1 476.461 4.264 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)CC[N@@H+]3Cc4ccccc4O[C@H](c4ccccc4F)C3)CC2)n1 ZINC000012042618 555894998 /nfs/dbraw/zinc/89/49/98/555894998.db2.gz NRVXBMZGHBFEFM-SANMLTNESA-N 1 1 474.580 4.204 50 0 JIAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)Cc2c(C)[nH]c4ccccc42)CCO3)C1 ZINC000012098547 555905379 /nfs/dbraw/zinc/90/53/79/555905379.db2.gz WPCWXOMXMIEYSQ-JOCHJYFZSA-N 1 1 461.606 4.298 50 0 JIAAMO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CC1(N2CCOCC2)CCCCC1 ZINC000012191575 555939113 /nfs/dbraw/zinc/93/91/13/555939113.db2.gz MRAQNOMRRCDVCE-QFIPXVFZSA-N 1 1 467.576 4.211 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)n2)cc1OC ZINC000015726167 555963550 /nfs/dbraw/zinc/96/35/50/555963550.db2.gz NKVXYSPJQHUWRN-MRXNPFEDSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)n2)cc1OC ZINC000015726167 555963554 /nfs/dbraw/zinc/96/35/54/555963554.db2.gz NKVXYSPJQHUWRN-MRXNPFEDSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(CC(C)C)CC(C)C)CC3)n2)cc1OC ZINC000015726429 555964826 /nfs/dbraw/zinc/96/48/26/555964826.db2.gz HDKVNWAXSHQWHX-UHFFFAOYSA-N 1 1 458.603 4.106 50 0 JIAAMO Cc1cc(=O)n2nc(CN3CC[NH+](Cc4ccc(-c5ccccc5Cl)s4)CC3)sc2n1 ZINC000022933618 555986271 /nfs/dbraw/zinc/98/62/71/555986271.db2.gz NFJAEDAVKCPSLP-UHFFFAOYSA-N 1 1 472.039 4.159 50 0 JIAAMO Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CC[NH+](Cc4ccccc4)CC2)C3=O)cc1 ZINC000022942850 555993184 /nfs/dbraw/zinc/99/31/84/555993184.db2.gz BRGJFNHDGRUTGF-GDLZYMKVSA-N 1 1 498.652 4.050 50 0 JIAAMO CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCCC[N@H+](C)Cc4ccccc4)ccc3[nH]2)cc1 ZINC000015863822 556038152 /nfs/dbraw/zinc/03/81/52/556038152.db2.gz IVRMEJFDGUJKEH-UHFFFAOYSA-N 1 1 469.589 4.364 50 0 JIAAMO CNC(=O)c1ccc(CN(C)Cn2nc([C@@H](C)[NH+]3CCCCC3)n(-c3ccccc3)c2=S)cc1 ZINC000012554211 556038268 /nfs/dbraw/zinc/03/82/68/556038268.db2.gz XKAUYSRDJSFUNU-HXUWFJFHSA-N 1 1 478.666 4.399 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001082 556105991 /nfs/dbraw/zinc/10/59/91/556105991.db2.gz DSURUBCWJNTTIP-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001261 556106377 /nfs/dbraw/zinc/10/63/77/556106377.db2.gz NJXYULHSTSKAPV-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CCc4ncc(-c5ccccc5)o4)CC3)n2)cc1 ZINC000024822927 556156798 /nfs/dbraw/zinc/15/67/98/556156798.db2.gz XDZAHUURONMIEJ-UHFFFAOYSA-N 1 1 485.588 4.410 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024984728 556169602 /nfs/dbraw/zinc/16/96/02/556169602.db2.gz NTHZSRVNRNEYGF-FQEVSTJZSA-N 1 1 492.645 4.459 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024984728 556169609 /nfs/dbraw/zinc/16/96/09/556169609.db2.gz NTHZSRVNRNEYGF-FQEVSTJZSA-N 1 1 492.645 4.459 50 0 JIAAMO C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891081 556172099 /nfs/dbraw/zinc/17/20/99/556172099.db2.gz DAKZOQRZAHWKLX-MZNJEOGPSA-N 1 1 467.566 4.298 50 0 JIAAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000016891246 556172594 /nfs/dbraw/zinc/17/25/94/556172594.db2.gz SPOOUHHTHPEABK-DFBJGRDBSA-N 1 1 465.619 4.447 50 0 JIAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012981943 556175245 /nfs/dbraw/zinc/17/52/45/556175245.db2.gz ROLXXJNXDVSTAO-UONOGXRCSA-N 1 1 454.621 4.152 50 0 JIAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012981943 556175248 /nfs/dbraw/zinc/17/52/48/556175248.db2.gz ROLXXJNXDVSTAO-UONOGXRCSA-N 1 1 454.621 4.152 50 0 JIAAMO C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025152260 556193103 /nfs/dbraw/zinc/19/31/03/556193103.db2.gz ZDHMBCKUDHTQJH-OAQYLSRUSA-N 1 1 476.617 4.222 50 0 JIAAMO COc1ccc(Cn2c(C)cc(O)c([C@H](c3cccnc3)[NH+]3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000016993483 556197586 /nfs/dbraw/zinc/19/75/86/556197586.db2.gz INLGWKYAOWJPJG-LJAQVGFWSA-N 1 1 496.611 4.226 50 0 JIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)n2)cc1 ZINC000017012244 556202436 /nfs/dbraw/zinc/20/24/36/556202436.db2.gz ADAVGGWINNSRRV-UHFFFAOYSA-N 1 1 467.957 4.162 50 0 JIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000013016331 556208005 /nfs/dbraw/zinc/20/80/05/556208005.db2.gz SCPQQFROHYRDEE-CHWSQXEVSA-N 1 1 455.411 4.296 50 0 JIAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(c5ccccc5O)CC3)n2)CCC4)CC1 ZINC000013040358 556243287 /nfs/dbraw/zinc/24/32/87/556243287.db2.gz CYMDNUIHDQCURD-UHFFFAOYSA-N 1 1 463.651 4.444 50 0 JIAAMO COc1cccc(-c2nnn(-c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)n2)c1 ZINC000013040605 556244166 /nfs/dbraw/zinc/24/41/66/556244166.db2.gz DEYGAXCUJDIWTI-UHFFFAOYSA-N 1 1 461.595 4.063 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296949 556252120 /nfs/dbraw/zinc/25/21/20/556252120.db2.gz CMYZNCSOBWFAMB-SANMLTNESA-N 1 1 478.564 4.414 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296927 556252176 /nfs/dbraw/zinc/25/21/76/556252176.db2.gz ATZIOCGIMVAHPV-AREMUKBSSA-N 1 1 478.564 4.414 50 0 JIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017306051 556253664 /nfs/dbraw/zinc/25/36/64/556253664.db2.gz MAKUJGOMZSLTNY-IBGZPJMESA-N 1 1 454.534 4.151 50 0 JIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017306051 556253666 /nfs/dbraw/zinc/25/36/66/556253666.db2.gz MAKUJGOMZSLTNY-IBGZPJMESA-N 1 1 454.534 4.151 50 0 JIAAMO CCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccc(OC)cc4)cc(C)[nH+]3)CC2)cc1OCC ZINC000017315439 556257453 /nfs/dbraw/zinc/25/74/53/556257453.db2.gz BTQRSDLMNWDRJN-UHFFFAOYSA-N 1 1 491.592 4.297 50 0 JIAAMO O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017358067 556259685 /nfs/dbraw/zinc/25/96/85/556259685.db2.gz SRPIXQJWIGHOAH-UHFFFAOYSA-N 1 1 487.984 4.238 50 0 JIAAMO C[NH+](C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013072920 556272100 /nfs/dbraw/zinc/27/21/00/556272100.db2.gz MFBMNTNNAGQKQJ-LJQANCHMSA-N 1 1 472.058 4.380 50 0 JIAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000027365259 556277246 /nfs/dbraw/zinc/27/72/46/556277246.db2.gz AZVZJMMPBCCRIU-KRWDZBQOSA-N 1 1 458.591 4.281 50 0 JIAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000027365259 556277248 /nfs/dbraw/zinc/27/72/48/556277248.db2.gz AZVZJMMPBCCRIU-KRWDZBQOSA-N 1 1 458.591 4.281 50 0 JIAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[NH+]4CCC(C(=O)N(C)C)CC4)cc3)sc2c1 ZINC000013096826 556291740 /nfs/dbraw/zinc/29/17/40/556291740.db2.gz YTFYYNLUTFVJSS-QGZVFWFLSA-N 1 1 450.608 4.399 50 0 JIAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000027542541 556294610 /nfs/dbraw/zinc/29/46/10/556294610.db2.gz FCKMVSVWFOELGM-INIZCTEOSA-N 1 1 455.908 4.382 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)[C@@H](c3ccco3)C2)cc1 ZINC000027570758 556298163 /nfs/dbraw/zinc/29/81/63/556298163.db2.gz NKSXJLAMASCYPH-SQJMNOBHSA-N 1 1 486.572 4.317 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)[C@@H](c3ccco3)C2)cc1 ZINC000027570758 556298166 /nfs/dbraw/zinc/29/81/66/556298166.db2.gz NKSXJLAMASCYPH-SQJMNOBHSA-N 1 1 486.572 4.317 50 0 JIAAMO Cc1nn(C)c(C)c1NC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027904020 556309534 /nfs/dbraw/zinc/30/95/34/556309534.db2.gz NHGCUSHGIBFFEE-UHFFFAOYSA-N 1 1 458.031 4.175 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032718909 556473546 /nfs/dbraw/zinc/47/35/46/556473546.db2.gz MLGJMTHGAGYBPQ-FGZHOGPDSA-N 1 1 464.562 4.120 50 0 JIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032718909 556473549 /nfs/dbraw/zinc/47/35/49/556473549.db2.gz MLGJMTHGAGYBPQ-FGZHOGPDSA-N 1 1 464.562 4.120 50 0 JIAAMO O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032781188 556493780 /nfs/dbraw/zinc/49/37/80/556493780.db2.gz YCYQBHHXIHPVRT-UHFFFAOYSA-N 1 1 456.970 4.245 50 0 JIAAMO Cc1csc(=O)n1CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000032809439 556498954 /nfs/dbraw/zinc/49/89/54/556498954.db2.gz FQYCOASSOWIWFH-UHFFFAOYSA-N 1 1 462.040 4.335 50 0 JIAAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC000032860415 556514615 /nfs/dbraw/zinc/51/46/15/556514615.db2.gz VXTSVLCIBCNHMM-XUZZJYLKSA-N 1 1 453.579 4.257 50 0 JIAAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000057015880 569593985 /nfs/dbraw/zinc/59/39/85/569593985.db2.gz JZSLTYFERHGGKP-DFBJGRDBSA-N 1 1 465.619 4.447 50 0 JIAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000057015895 569593994 /nfs/dbraw/zinc/59/39/94/569593994.db2.gz QHSZYTHCFMSJLE-BVZFJXPGSA-N 1 1 479.602 4.167 50 0 JIAAMO C[N@@H+](CCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000032975015 569606010 /nfs/dbraw/zinc/60/60/10/569606010.db2.gz IMNHEXREVXTCHX-UHFFFAOYSA-N 1 1 482.584 4.449 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000061999320 569610019 /nfs/dbraw/zinc/61/00/19/569610019.db2.gz FZIFLTRWNWZNKI-BYSIJJKSSA-N 1 1 463.537 4.010 50 0 biogenic JIAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000062588298 569612197 /nfs/dbraw/zinc/61/21/97/569612197.db2.gz XRTLCOUQIRFZAV-UHFFFAOYSA-N 1 1 496.615 4.358 50 0 JIAAMO CCn1c(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000062681091 569614309 /nfs/dbraw/zinc/61/43/09/569614309.db2.gz ODCOWOVLZRLFHB-HNNXBMFYSA-N 1 1 497.448 4.235 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 ZINC000033332050 569624692 /nfs/dbraw/zinc/62/46/92/569624692.db2.gz DKZJNAFVPUYCRH-SFHVURJKSA-N 1 1 487.442 4.178 50 0 JIAAMO Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000034675542 569641184 /nfs/dbraw/zinc/64/11/84/569641184.db2.gz WMRAXOLMKPXCJZ-UHFFFAOYSA-N 1 1 459.565 4.298 50 0 JIAAMO C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062310 569655750 /nfs/dbraw/zinc/65/57/50/569655750.db2.gz XMGBXZCBOWDNOV-QGZVFWFLSA-N 1 1 490.135 4.209 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034787299 569659664 /nfs/dbraw/zinc/65/96/64/569659664.db2.gz MCLGHVDLVURUFC-SANMLTNESA-N 1 1 477.605 4.209 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034787299 569659665 /nfs/dbraw/zinc/65/96/65/569659665.db2.gz MCLGHVDLVURUFC-SANMLTNESA-N 1 1 477.605 4.209 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000034787696 569659812 /nfs/dbraw/zinc/65/98/12/569659812.db2.gz ROYVEBPLQHTSNH-XMMPIXPASA-N 1 1 465.644 4.050 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000034787696 569659813 /nfs/dbraw/zinc/65/98/13/569659813.db2.gz ROYVEBPLQHTSNH-XMMPIXPASA-N 1 1 465.644 4.050 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034787994 569660073 /nfs/dbraw/zinc/66/00/73/569660073.db2.gz WTKMXMFWSPZORH-HHHXNRCGSA-N 1 1 493.698 4.369 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034787994 569660075 /nfs/dbraw/zinc/66/00/75/569660075.db2.gz WTKMXMFWSPZORH-HHHXNRCGSA-N 1 1 493.698 4.369 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829735 569663390 /nfs/dbraw/zinc/66/33/90/569663390.db2.gz JTZPNCKXXBTKKS-IBVKSMDESA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829735 569663391 /nfs/dbraw/zinc/66/33/91/569663391.db2.gz JTZPNCKXXBTKKS-IBVKSMDESA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829957 569663688 /nfs/dbraw/zinc/66/36/88/569663688.db2.gz QASOYFUTMROAOS-DVECYGJZSA-N 1 1 468.667 4.045 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829957 569663689 /nfs/dbraw/zinc/66/36/89/569663689.db2.gz QASOYFUTMROAOS-DVECYGJZSA-N 1 1 468.667 4.045 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)o1 ZINC000065329749 569674853 /nfs/dbraw/zinc/67/48/53/569674853.db2.gz DONYKKGNRVOAPN-GOSISDBHSA-N 1 1 454.571 4.241 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccc(C)cc5C)CC4)CC3)cn2)cc1 ZINC000035403903 569691508 /nfs/dbraw/zinc/69/15/08/569691508.db2.gz XYJBOXOVKVOPLP-UHFFFAOYSA-N 1 1 469.633 4.235 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccc(C)cc5C)CC4)CC3)cn2)cc1 ZINC000035403903 569691511 /nfs/dbraw/zinc/69/15/11/569691511.db2.gz XYJBOXOVKVOPLP-UHFFFAOYSA-N 1 1 469.633 4.235 50 0 JIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000035454754 569697598 /nfs/dbraw/zinc/69/75/98/569697598.db2.gz AHKRTJMBYGVAQT-GOSISDBHSA-N 1 1 486.657 4.491 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1)C1CCCCC1 ZINC000035481329 569697753 /nfs/dbraw/zinc/69/77/53/569697753.db2.gz YKNFRTWFYLUNOM-UHFFFAOYSA-N 1 1 492.595 4.335 50 0 JIAAMO COc1cc(NC(=O)CN2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)c(OC)cc1Cl ZINC000071792463 569698553 /nfs/dbraw/zinc/69/85/53/569698553.db2.gz HEAOYAYVMKWMSK-VXKWHMMOSA-N 1 1 458.002 4.425 50 0 JIAAMO Cc1c(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)sc2nc(C3CC3)nc(C)c12 ZINC000078720336 569706638 /nfs/dbraw/zinc/70/66/38/569706638.db2.gz MJXKJSAJFXOHBO-SFHVURJKSA-N 1 1 463.607 4.135 50 0 JIAAMO COc1ccc(CCn2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3c2=O)cc1 ZINC000079191963 569707157 /nfs/dbraw/zinc/70/71/57/569707157.db2.gz QGNMBSALESQZNW-WXVAWEFUSA-N 1 1 473.617 4.247 50 0 biogenic JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843218 569714349 /nfs/dbraw/zinc/71/43/49/569714349.db2.gz OZSGSWFXERWLLT-YHZQYDDPSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843218 569714350 /nfs/dbraw/zinc/71/43/50/569714350.db2.gz OZSGSWFXERWLLT-YHZQYDDPSA-N 1 1 471.944 4.233 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000035871754 569718964 /nfs/dbraw/zinc/71/89/64/569718964.db2.gz ZEPIMHRPBCUXDU-XNMGPUDCSA-N 1 1 459.565 4.014 50 0 JIAAMO C(C[NH+]1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1)N1CCOCC1 ZINC000035892701 569722507 /nfs/dbraw/zinc/72/25/07/569722507.db2.gz NUAYFWBQEUNEIK-UHFFFAOYSA-N 1 1 469.699 4.072 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3c4ccc(C)cc4s/c3=N\C(=O)c3ccco3)c2)CC1 ZINC000095927452 569730475 /nfs/dbraw/zinc/73/04/75/569730475.db2.gz HLRPHPMIYAAKGJ-DQSJHHFOSA-N 1 1 488.613 4.171 50 0 JIAAMO COc1cc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)cc2c1OCCCO2 ZINC000096116524 569735467 /nfs/dbraw/zinc/73/54/67/569735467.db2.gz QYKBEYKELCTBJV-NZQKXSOJSA-N 1 1 493.604 4.103 50 0 biogenic JIAAMO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036250261 569758100 /nfs/dbraw/zinc/75/81/00/569758100.db2.gz QLDRMUYVKHWLRN-PGRDOPGGSA-N 1 1 476.459 4.167 50 0 JIAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036250086 569758120 /nfs/dbraw/zinc/75/81/20/569758120.db2.gz NULLQLUCOSRWFV-OAQYLSRUSA-N 1 1 452.426 4.323 50 0 JIAAMO O[C@H](COCc1ccco1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1 ZINC000036249947 569758134 /nfs/dbraw/zinc/75/81/34/569758134.db2.gz YIBZFOSWBPWYNQ-NRFANRHFSA-N 1 1 469.607 4.030 50 0 JIAAMO C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036250263 569758157 /nfs/dbraw/zinc/75/81/57/569758157.db2.gz QLDRMUYVKHWLRN-AVRDEDQJSA-N 1 1 476.459 4.167 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C ZINC000036313078 569760657 /nfs/dbraw/zinc/76/06/57/569760657.db2.gz CEUSGVDIUWEPMM-JTHBVZDNSA-N 1 1 487.641 4.263 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036315993 569761878 /nfs/dbraw/zinc/76/18/78/569761878.db2.gz LMVLTACCYWKHEB-HSZRJFAPSA-N 1 1 467.610 4.422 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316372 569762848 /nfs/dbraw/zinc/76/28/48/569762848.db2.gz JQPZEQSQKYMOEB-QFIPXVFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316372 569762849 /nfs/dbraw/zinc/76/28/49/569762849.db2.gz JQPZEQSQKYMOEB-QFIPXVFZSA-N 1 1 483.609 4.081 50 0 JIAAMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036341160 569764288 /nfs/dbraw/zinc/76/42/88/569764288.db2.gz NNDPVCNSEIDFFW-NDEPHWFRSA-N 1 1 486.591 4.330 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036341496 569764555 /nfs/dbraw/zinc/76/45/55/569764555.db2.gz KICUYTABTQDORP-MUUNZHRXSA-N 1 1 486.591 4.330 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342110 569765425 /nfs/dbraw/zinc/76/54/25/569765425.db2.gz RLCULUKWQZYZLP-NOZRDPDXSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342110 569765426 /nfs/dbraw/zinc/76/54/26/569765426.db2.gz RLCULUKWQZYZLP-NOZRDPDXSA-N 1 1 483.584 4.491 50 0 JIAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036343328 569766353 /nfs/dbraw/zinc/76/63/53/569766353.db2.gz QQJDYBAAKMPCBC-NDEPHWFRSA-N 1 1 498.627 4.199 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344795 569767200 /nfs/dbraw/zinc/76/72/00/569767200.db2.gz DTCGMNNVVIKUBA-OFVILXPXSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344795 569767202 /nfs/dbraw/zinc/76/72/02/569767202.db2.gz DTCGMNNVVIKUBA-OFVILXPXSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346576 569770062 /nfs/dbraw/zinc/77/00/62/569770062.db2.gz FUKIITUTMZRMPF-NRFANRHFSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346576 569770064 /nfs/dbraw/zinc/77/00/64/569770064.db2.gz FUKIITUTMZRMPF-NRFANRHFSA-N 1 1 475.536 4.097 50 0 JIAAMO Cc1cc2c(cc1S(=O)(=O)N1CC[NH+](C3CCCCC3)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000037008939 569781198 /nfs/dbraw/zinc/78/11/98/569781198.db2.gz HUGZJRODZAMYRN-UHFFFAOYSA-N 1 1 457.640 4.270 50 0 JIAAMO COc1cc2c(cc1OC)C[N@H+](Cc1coc(=O)c(C[NH+]3CCC(c4ccccc4)CC3)c1[O-])CC2 ZINC000101374714 569794981 /nfs/dbraw/zinc/79/49/81/569794981.db2.gz FITRSXZYKIXWGR-UHFFFAOYSA-N 1 1 490.600 4.301 50 0 JIAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(C[NH+]3CCC(c4ccccc4)CC3)c1[O-])CC2 ZINC000101374714 569794982 /nfs/dbraw/zinc/79/49/82/569794982.db2.gz FITRSXZYKIXWGR-UHFFFAOYSA-N 1 1 490.600 4.301 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101411556 569797184 /nfs/dbraw/zinc/79/71/84/569797184.db2.gz OPHPNPHFPLFZHW-PRHHBONVSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101411556 569797187 /nfs/dbraw/zinc/79/71/87/569797187.db2.gz OPHPNPHFPLFZHW-PRHHBONVSA-N 1 1 489.881 4.098 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1cccc(C(F)(F)F)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101798649 569805226 /nfs/dbraw/zinc/80/52/26/569805226.db2.gz GEKYJLMCOKKUEV-UHFFFAOYSA-N 1 1 498.549 4.260 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1cccc(C(F)(F)F)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798649 569805227 /nfs/dbraw/zinc/80/52/27/569805227.db2.gz GEKYJLMCOKKUEV-UHFFFAOYSA-N 1 1 498.549 4.260 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000101798686 569805252 /nfs/dbraw/zinc/80/52/52/569805252.db2.gz IHLRPQXMYYDSSY-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798686 569805253 /nfs/dbraw/zinc/80/52/53/569805253.db2.gz IHLRPQXMYYDSSY-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1F)CC[N@H+](Cc1ccccc1)C2 ZINC000101798714 569805395 /nfs/dbraw/zinc/80/53/95/569805395.db2.gz XGZFCAZDGHIILK-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1F)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798714 569805396 /nfs/dbraw/zinc/80/53/96/569805396.db2.gz XGZFCAZDGHIILK-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000102564729 569814198 /nfs/dbraw/zinc/81/41/98/569814198.db2.gz PDLCOTZAEQZHFB-OETAKHSWSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000102564729 569814199 /nfs/dbraw/zinc/81/41/99/569814199.db2.gz PDLCOTZAEQZHFB-OETAKHSWSA-N 1 1 470.356 4.041 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@H](C(=O)Nc1cc(OC)ccc1OC)C[C@H]1CCC[N@@H+]12 ZINC000040287620 569823767 /nfs/dbraw/zinc/82/37/67/569823767.db2.gz MEJAFJGVDROWMR-GSQWSPMESA-N 1 1 469.969 4.042 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@H](C(=O)Nc1cc(OC)ccc1OC)C[C@H]1CCC[N@H+]12 ZINC000040287620 569823768 /nfs/dbraw/zinc/82/37/68/569823768.db2.gz MEJAFJGVDROWMR-GSQWSPMESA-N 1 1 469.969 4.042 50 0 JIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[C@H]3CCC[N@H+]3C)N2[C@H]1c1ccccc1Cl ZINC000102940422 569829445 /nfs/dbraw/zinc/82/94/45/569829445.db2.gz XENKHXIEDMXBBM-ZHRRBRCNSA-N 1 1 489.041 4.079 50 0 JIAAMO CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(CC(=O)NCC[C@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940550 569829447 /nfs/dbraw/zinc/82/94/47/569829447.db2.gz GWKZRRORVZDWMP-NTKDMRAZSA-N 1 1 482.650 4.124 50 0 JIAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103320518 569834614 /nfs/dbraw/zinc/83/46/14/569834614.db2.gz BFTOAIDZNXQKFY-XMMPIXPASA-N 1 1 482.650 4.112 50 0 JIAAMO Cc1cccc(N2CC[N@@H+]([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000103683699 569837044 /nfs/dbraw/zinc/83/70/44/569837044.db2.gz FIUCLLFZQMWXMP-CTUHWIOQSA-N 1 1 462.059 4.449 50 0 JIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1OC ZINC000046032390 569843004 /nfs/dbraw/zinc/84/30/04/569843004.db2.gz GSPIVPTVCNRWBR-UHFFFAOYSA-N 1 1 464.591 4.494 50 0 JIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1OC ZINC000046032390 569843005 /nfs/dbraw/zinc/84/30/05/569843005.db2.gz GSPIVPTVCNRWBR-UHFFFAOYSA-N 1 1 464.591 4.494 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984429 569848547 /nfs/dbraw/zinc/84/85/47/569848547.db2.gz RAROPIHSGXIZIS-FGZHOGPDSA-N 1 1 462.949 4.179 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000105000050 569848982 /nfs/dbraw/zinc/84/89/82/569848982.db2.gz HUROHIKGGOTJAX-OFVILXPXSA-N 1 1 489.104 4.037 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC ZINC000105003686 569849411 /nfs/dbraw/zinc/84/94/11/569849411.db2.gz KCOZYKQGMBDKDH-TZIWHRDSSA-N 1 1 453.583 4.496 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007685 569850159 /nfs/dbraw/zinc/85/01/59/569850159.db2.gz IPXGZJKTVJVGMS-WZONZLPQSA-N 1 1 471.960 4.432 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007685 569850161 /nfs/dbraw/zinc/85/01/61/569850161.db2.gz IPXGZJKTVJVGMS-WZONZLPQSA-N 1 1 471.960 4.432 50 0 JIAAMO O=C(NCc1ccncc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169678536 569869232 /nfs/dbraw/zinc/86/92/32/569869232.db2.gz LSNMGCOHUAYBRJ-NOZRDPDXSA-N 1 1 498.524 4.419 50 0 JIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000169679154 569869553 /nfs/dbraw/zinc/86/95/53/569869553.db2.gz UDJULOJWXUQQCD-NFBKMPQASA-N 1 1 492.657 4.278 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000169680029 569870089 /nfs/dbraw/zinc/87/00/89/569870089.db2.gz WRNVVAHGDIDAJU-KDYSTLNUSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000169680029 569870090 /nfs/dbraw/zinc/87/00/90/569870090.db2.gz WRNVVAHGDIDAJU-KDYSTLNUSA-N 1 1 473.642 4.377 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000169681554 569870697 /nfs/dbraw/zinc/87/06/97/569870697.db2.gz QVBSPQZTLXUGPX-VPUSJEBWSA-N 1 1 478.564 4.407 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000229669428 570040876 /nfs/dbraw/zinc/04/08/76/570040876.db2.gz XBZFWBUPXLINMY-PPSLNNBKSA-N 1 1 477.564 4.318 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000230076155 570044340 /nfs/dbraw/zinc/04/43/40/570044340.db2.gz MVJYPSCYAKAIAT-YNJKOYDBSA-N 1 1 483.678 4.446 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129896 570045465 /nfs/dbraw/zinc/04/54/65/570045465.db2.gz PIRNAYKFZJVPPX-VPUSJEBWSA-N 1 1 477.555 4.153 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000230138098 570045818 /nfs/dbraw/zinc/04/58/18/570045818.db2.gz UTYDTZKIBVFJKN-RSXGOPAZSA-N 1 1 463.528 4.475 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228522 570055509 /nfs/dbraw/zinc/05/55/09/570055509.db2.gz HWKOGSBLMOVRER-NFQMXDRXSA-N 1 1 466.626 4.286 50 0 JIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000245281407 570062232 /nfs/dbraw/zinc/06/22/32/570062232.db2.gz YMUBPHOVVWBRNV-OFNKIYASSA-N 1 1 482.518 4.182 50 0 JIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000245312918 570063918 /nfs/dbraw/zinc/06/39/18/570063918.db2.gz YTHDCUCOECLFQM-UCGXPXSYSA-N 1 1 454.567 4.019 50 0 JIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000245312918 570063919 /nfs/dbraw/zinc/06/39/19/570063919.db2.gz YTHDCUCOECLFQM-UCGXPXSYSA-N 1 1 454.567 4.019 50 0 JIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1)C(=O)C(C)C ZINC000245325603 570064269 /nfs/dbraw/zinc/06/42/69/570064269.db2.gz BHHHPAUYIRRGFC-OZXSUGGESA-N 1 1 454.611 4.050 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)[C@H](C)C(C)(C)O ZINC000245328739 570065999 /nfs/dbraw/zinc/06/59/99/570065999.db2.gz PEBXMNDORWCQKU-UYAOXDASSA-N 1 1 460.640 4.133 50 0 JIAAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000247942030 570071332 /nfs/dbraw/zinc/07/13/32/570071332.db2.gz QAXIKXPTPBMDTE-RCXJIHSJSA-N 1 1 496.051 4.262 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247925747 570071371 /nfs/dbraw/zinc/07/13/71/570071371.db2.gz PCDJELKRSHFNHY-DWKCODDLSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247925747 570071372 /nfs/dbraw/zinc/07/13/72/570071372.db2.gz PCDJELKRSHFNHY-DWKCODDLSA-N 1 1 489.881 4.098 50 0 JIAAMO CCCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C)CC3)CC2)cc1 ZINC000247964901 570071843 /nfs/dbraw/zinc/07/18/43/570071843.db2.gz HIDUMELKTJCJEY-UHFFFAOYSA-N 1 1 459.638 4.087 50 0 JIAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000249692742 570078809 /nfs/dbraw/zinc/07/88/09/570078809.db2.gz MYVSPPXENHEIHA-HXUWFJFHSA-N 1 1 466.029 4.270 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000252517917 570083027 /nfs/dbraw/zinc/08/30/27/570083027.db2.gz VAPJNWMGRHXMGP-YDSTWLSQSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517917 570083028 /nfs/dbraw/zinc/08/30/28/570083028.db2.gz VAPJNWMGRHXMGP-YDSTWLSQSA-N 1 1 490.774 4.386 50 0 JIAAMO O=C(c1ccccc1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000252694850 570094914 /nfs/dbraw/zinc/09/49/14/570094914.db2.gz QUGCUCOKYHBCCE-LXEATBNUSA-N 1 1 483.955 4.355 50 0 JIAAMO Cc1oc(-c2cccc(NC(=O)COc3ccc(C)cc3)c2)nc1CNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000299769793 570175670 /nfs/dbraw/zinc/17/56/70/570175670.db2.gz QFWWAPTVPDXBJD-VWLOTQADSA-N 1 1 490.604 4.467 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1Cn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccccc2c1=O ZINC000002970259 194187834 /nfs/dbraw/zinc/18/78/34/194187834.db2.gz JLZVABZUPAINOB-HXUWFJFHSA-N 1 1 451.592 4.384 50 0 JIAAMO CC[N@H+]1CCC[C@H]1Cn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccccc2c1=O ZINC000002970256 194187929 /nfs/dbraw/zinc/18/79/29/194187929.db2.gz JLZVABZUPAINOB-FQEVSTJZSA-N 1 1 451.592 4.384 50 0 JIAAMO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000012623993 195058580 /nfs/dbraw/zinc/05/85/80/195058580.db2.gz DHEPVALOTPPKTI-JOCHJYFZSA-N 1 1 473.404 4.073 50 0 JIAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)O[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012630635 195062578 /nfs/dbraw/zinc/06/25/78/195062578.db2.gz PWJUQJZEUFVEKX-QGZVFWFLSA-N 1 1 485.943 4.332 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000012796522 195136191 /nfs/dbraw/zinc/13/61/91/195136191.db2.gz HNHAKAGJNDBLEQ-UHFFFAOYSA-N 1 1 473.639 4.064 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000012796522 195136194 /nfs/dbraw/zinc/13/61/94/195136194.db2.gz HNHAKAGJNDBLEQ-UHFFFAOYSA-N 1 1 473.639 4.064 50 0 JIAAMO COc1ccc(C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000012858669 195158433 /nfs/dbraw/zinc/15/84/33/195158433.db2.gz DSJCEPHUPGAGMW-GOSISDBHSA-N 1 1 469.582 4.084 50 0 JIAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2)c1cccc(F)c1 ZINC000020782355 195225058 /nfs/dbraw/zinc/22/50/58/195225058.db2.gz BYJMXWSUABMBHP-UHFFFAOYSA-N 1 1 479.943 4.319 50 0 JIAAMO Cc1c2cnn(CC(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020866922 195234815 /nfs/dbraw/zinc/23/48/15/195234815.db2.gz QRLDSXFMPBJZEI-KDURUIRLSA-N 1 1 498.071 4.286 50 0 JIAAMO CCOC(=O)C[C@@H](NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](CC)CC2)c1ccccc1 ZINC000020927502 195249493 /nfs/dbraw/zinc/24/94/93/195249493.db2.gz YXMWYAOZMDJJDL-JOCHJYFZSA-N 1 1 480.634 4.411 50 0 JIAAMO CCOC(=O)C[C@@H](NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2)c1ccccc1 ZINC000020927391 195249499 /nfs/dbraw/zinc/24/94/99/195249499.db2.gz KICMENUSDUUSDA-OAQYLSRUSA-N 1 1 466.607 4.020 50 0 JIAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000020997208 195264811 /nfs/dbraw/zinc/26/48/11/195264811.db2.gz IFHULJFYCOHJGV-UHFFFAOYSA-N 1 1 498.606 4.102 50 0 JIAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021364784 195299850 /nfs/dbraw/zinc/29/98/50/195299850.db2.gz VVXJIBDMPCXRTI-SANMLTNESA-N 1 1 454.615 4.143 50 0 JIAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1 ZINC000058403111 195378960 /nfs/dbraw/zinc/37/89/60/195378960.db2.gz CHADOWLPNHLXKW-SHKSUFPJSA-N 1 1 452.643 4.302 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000058161579 195369193 /nfs/dbraw/zinc/36/91/93/195369193.db2.gz AJDJEASCEUBGGS-JTHBVZDNSA-N 1 1 454.014 4.221 50 0 JIAAMO CC(C)c1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000033139852 519869956 /nfs/dbraw/zinc/86/99/56/519869956.db2.gz AHHVOQANPHXVKL-UHFFFAOYSA-N 1 1 489.393 4.306 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036302572 520152812 /nfs/dbraw/zinc/15/28/12/520152812.db2.gz COYLCECTWAOKNY-JOCHJYFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036302572 520152820 /nfs/dbraw/zinc/15/28/20/520152820.db2.gz COYLCECTWAOKNY-JOCHJYFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036305997 521181396 /nfs/dbraw/zinc/18/13/96/521181396.db2.gz QCISXYBUXIKURQ-NRFANRHFSA-N 1 1 453.583 4.497 50 0 JIAAMO CCOc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342552 521240626 /nfs/dbraw/zinc/24/06/26/521240626.db2.gz VHAXIKAMGUSKQR-SANMLTNESA-N 1 1 477.605 4.219 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036309139 521535486 /nfs/dbraw/zinc/53/54/86/521535486.db2.gz SUSOTSAFUJUOSS-URXFXBBRSA-N 1 1 474.667 4.059 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC ZINC000036309246 521535716 /nfs/dbraw/zinc/53/57/16/521535716.db2.gz RKMWNKUKYOJVFN-QPPBQGQZSA-N 1 1 474.667 4.096 50 0 JIAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(C)c(C)c2)CC3)o1 ZINC000014995959 522962566 /nfs/dbraw/zinc/96/25/66/522962566.db2.gz AHTGVZUYDOLAGE-QHCPKHFHSA-N 1 1 479.625 4.210 50 0 JIAAMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467016 523763567 /nfs/dbraw/zinc/76/35/67/523763567.db2.gz XPTOVLWZVFCPKW-OAQYLSRUSA-N 1 1 460.603 4.215 50 0 JIAAMO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCN(C)CC4)c3)C2)cc1 ZINC000033035615 523980222 /nfs/dbraw/zinc/98/02/22/523980222.db2.gz TWWAEBKPHKFLSB-SANMLTNESA-N 1 1 491.680 4.028 50 0 JIAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036096014 524970936 /nfs/dbraw/zinc/97/09/36/524970936.db2.gz OBWBQCHJGAIUTK-JOCHJYFZSA-N 1 1 455.526 4.294 50 0 JIAAMO COc1ccc([C@H](C)[N@H+](C)Cc2nc3c(C)cccc3c(N3CCCN(C(C)=O)CC3)n2)cc1 ZINC000012244817 525300455 /nfs/dbraw/zinc/30/04/55/525300455.db2.gz AMOYLEUUQMOLFU-FQEVSTJZSA-N 1 1 461.610 4.198 50 0 JIAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2nc3c(C)cccc3c(N3CCCN(C(C)=O)CC3)n2)cc1 ZINC000012244817 525300465 /nfs/dbraw/zinc/30/04/65/525300465.db2.gz AMOYLEUUQMOLFU-FQEVSTJZSA-N 1 1 461.610 4.198 50 0 JIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)cc1 ZINC000036309551 525434005 /nfs/dbraw/zinc/43/40/05/525434005.db2.gz GABOQKQKKIPFTH-WIOPSUGQSA-N 1 1 486.678 4.059 50 0 JIAAMO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014879870 525647259 /nfs/dbraw/zinc/64/72/59/525647259.db2.gz XKQCDFBLYUCJIA-FQEVSTJZSA-N 1 1 458.591 4.094 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2cccs2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456453 525819876 /nfs/dbraw/zinc/81/98/76/525819876.db2.gz ZALPRSWYFOJJAW-UHFFFAOYSA-N 1 1 484.625 4.155 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2cccs2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456453 525819886 /nfs/dbraw/zinc/81/98/86/525819886.db2.gz ZALPRSWYFOJJAW-UHFFFAOYSA-N 1 1 484.625 4.155 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146485 525925616 /nfs/dbraw/zinc/92/56/16/525925616.db2.gz CSTUNECKNNEGFV-AHKZPQOWSA-N 1 1 460.574 4.268 50 0 JIAAMO Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)n1 ZINC000065010235 525952402 /nfs/dbraw/zinc/95/24/02/525952402.db2.gz QNXZLBPVJSKUJJ-UHFFFAOYSA-N 1 1 477.540 4.181 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4C)[nH]c(=O)c3C2)c1 ZINC000033331817 525954046 /nfs/dbraw/zinc/95/40/46/525954046.db2.gz WSRZHEMTELGISJ-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4C)[nH]c(=O)c3C2)c1 ZINC000033331817 525954056 /nfs/dbraw/zinc/95/40/56/525954056.db2.gz WSRZHEMTELGISJ-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2)c1ccoc1 ZINC000014994161 526465118 /nfs/dbraw/zinc/46/51/18/526465118.db2.gz KIUDFKBRIPZLAM-UHFFFAOYSA-N 1 1 491.979 4.348 50 0 JIAAMO O=C(c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020514739 526671988 /nfs/dbraw/zinc/67/19/88/526671988.db2.gz XMIFLNOIWIZEJP-LJAQVGFWSA-N 1 1 479.440 4.440 50 0 JIAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)CC1 ZINC000009846788 526856703 /nfs/dbraw/zinc/85/67/03/526856703.db2.gz PLGVWUAVUSDMOK-AVOLRLARSA-N 1 1 468.648 4.130 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000014732302 527272330 /nfs/dbraw/zinc/27/23/30/527272330.db2.gz KXJSCXZCPLBJGX-RRPNLBNLSA-N 1 1 497.639 4.447 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014536053 527272531 /nfs/dbraw/zinc/27/25/31/527272531.db2.gz OWRLPYACDXGQFS-FTJBHMTQSA-N 1 1 459.634 4.307 50 0 JIAAMO O=C(NCCC[N@@H+](CCc1ccccc1)Cc1ccco1)c1ccc2c(c1)nc1n2CCOC1 ZINC000021649540 527658035 /nfs/dbraw/zinc/65/80/35/527658035.db2.gz IFFCXDZLSBZOHN-UHFFFAOYSA-N 1 1 458.562 4.024 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059858 527667269 /nfs/dbraw/zinc/66/72/69/527667269.db2.gz AKEPSVAIYFOATG-UHFFFAOYSA-N 1 1 459.619 4.025 50 0 JIAAMO OCCOCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002715025 554300702 /nfs/dbraw/zinc/30/07/02/554300702.db2.gz CCLCXMASNIHUHM-UHFFFAOYSA-N 1 1 453.340 4.271 50 0 JIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000008448860 554596012 /nfs/dbraw/zinc/59/60/12/554596012.db2.gz XCEBCTIYYLOEJT-HXUWFJFHSA-N 1 1 453.951 4.463 50 0 JIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000008448860 554596014 /nfs/dbraw/zinc/59/60/14/554596014.db2.gz XCEBCTIYYLOEJT-HXUWFJFHSA-N 1 1 453.951 4.463 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000008590391 554602515 /nfs/dbraw/zinc/60/25/15/554602515.db2.gz ISMFSTQCYYATNF-SFHVURJKSA-N 1 1 456.974 4.258 50 0 JIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000008771721 554671472 /nfs/dbraw/zinc/67/14/72/554671472.db2.gz IZELLMFBPSIBTN-QFIPXVFZSA-N 1 1 463.559 4.126 50 0 JIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000008771721 554671476 /nfs/dbraw/zinc/67/14/76/554671476.db2.gz IZELLMFBPSIBTN-QFIPXVFZSA-N 1 1 463.559 4.126 50 0 JIAAMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000009251649 555025960 /nfs/dbraw/zinc/02/59/60/555025960.db2.gz WCTZJQZNTAVQQX-HSZRJFAPSA-N 1 1 469.589 4.200 50 0 JIAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000009269289 555044201 /nfs/dbraw/zinc/04/42/01/555044201.db2.gz MTQCHYCDHRILAG-OAQYLSRUSA-N 1 1 495.645 4.426 50 0 JIAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009291807 555066563 /nfs/dbraw/zinc/06/65/63/555066563.db2.gz USBVXALOFJWQOH-JWQCQUIFSA-N 1 1 453.502 4.211 50 0 JIAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009293203 555068341 /nfs/dbraw/zinc/06/83/41/555068341.db2.gz USBVXALOFJWQOH-RPBOFIJWSA-N 1 1 453.502 4.211 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009501941 555286393 /nfs/dbraw/zinc/28/63/93/555286393.db2.gz IJEJZEFQHGJWIB-XMMPIXPASA-N 1 1 457.615 4.207 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1Cl ZINC000013367142 555389555 /nfs/dbraw/zinc/38/95/55/555389555.db2.gz WXQCZPWZGSAJMH-MRXNPFEDSA-N 1 1 486.956 4.267 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1Cl ZINC000013367142 555389557 /nfs/dbraw/zinc/38/95/57/555389557.db2.gz WXQCZPWZGSAJMH-MRXNPFEDSA-N 1 1 486.956 4.267 50 0 JIAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000013424242 555398154 /nfs/dbraw/zinc/39/81/54/555398154.db2.gz HTNPHFKEWUKVJC-UHFFFAOYSA-N 1 1 477.611 4.271 50 0 JIAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000013424242 555398158 /nfs/dbraw/zinc/39/81/58/555398158.db2.gz HTNPHFKEWUKVJC-UHFFFAOYSA-N 1 1 477.611 4.271 50 0 JIAAMO C[NH+]1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc3)nn2)CC1 ZINC000009714670 555444281 /nfs/dbraw/zinc/44/42/81/555444281.db2.gz YIQFOGZOUSLRHP-UHFFFAOYSA-N 1 1 485.613 4.363 50 0 JIAAMO O[C@@H](COc1ccc2cc(Br)ccc2c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019831892 555505769 /nfs/dbraw/zinc/50/57/69/555505769.db2.gz AQVITTJIMMHPSF-HXUWFJFHSA-N 1 1 459.359 4.303 50 0 JIAAMO O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013583364 555520582 /nfs/dbraw/zinc/52/05/82/555520582.db2.gz SMAVSOPBOHDYQX-UHFFFAOYSA-N 1 1 496.032 4.049 50 0 JIAAMO CCn1c(C(=O)N2CCC(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)cc2sccc21 ZINC000009847761 555549439 /nfs/dbraw/zinc/54/94/39/555549439.db2.gz SVPMJNLMVPAKPC-UHFFFAOYSA-N 1 1 478.662 4.140 50 0 JIAAMO CC[N@@H+](CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)Cc1ccccc1 ZINC000009847796 555549741 /nfs/dbraw/zinc/54/97/41/555549741.db2.gz WOWAZXLPWJXSGB-UHFFFAOYSA-N 1 1 466.651 4.120 50 0 JIAAMO O=C(C1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000009849419 555551393 /nfs/dbraw/zinc/55/13/93/555551393.db2.gz ZGFMERAXUILLML-UHFFFAOYSA-N 1 1 456.428 4.006 50 0 JIAAMO COc1ccc(Br)cc1C(=O)NCCC[N@@H+](C)CCCN(C)Cc1ccccc1 ZINC000013956831 555661546 /nfs/dbraw/zinc/66/15/46/555661546.db2.gz PHXICNODYFDGFK-UHFFFAOYSA-N 1 1 462.432 4.032 50 0 JIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc2)cc1 ZINC000010278497 555671751 /nfs/dbraw/zinc/67/17/51/555671751.db2.gz LLWVVMZWCKGHKK-UHFFFAOYSA-N 1 1 492.620 4.001 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)C[C@H]2C)c1 ZINC000020177697 555683520 /nfs/dbraw/zinc/68/35/20/555683520.db2.gz FWNPWRYDKZIHNY-GOSISDBHSA-N 1 1 485.991 4.092 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21 ZINC000020180732 555687002 /nfs/dbraw/zinc/68/70/02/555687002.db2.gz JKNRVFIRDLBRGX-MOHJPFBDSA-N 1 1 453.558 4.221 50 0 JIAAMO Cc1ccc(-n2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216393 555712332 /nfs/dbraw/zinc/71/23/32/555712332.db2.gz LGKODTCXLMRSJV-UHFFFAOYSA-N 1 1 491.595 4.144 50 0 JIAAMO O=C1CC[C@@H](N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)CCN1Cc1ccccc1Cl ZINC000020235238 555727360 /nfs/dbraw/zinc/72/73/60/555727360.db2.gz MDKYWBZZNZXBGM-JWQCQUIFSA-N 1 1 452.042 4.396 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000014200173 555731585 /nfs/dbraw/zinc/73/15/85/555731585.db2.gz MCQIRVIIXSQLRM-UHFFFAOYSA-N 1 1 499.677 4.499 50 0 JIAAMO COc1ccc(C[NH+]2CCN(c3nc4c(Cl)c(C)nn4c4ccccc43)CC2)cc1OC ZINC000014248281 555751580 /nfs/dbraw/zinc/75/15/80/555751580.db2.gz ROQMGXWUSJIUTO-UHFFFAOYSA-N 1 1 451.958 4.184 50 0 JIAAMO O=C(NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000020347237 555779570 /nfs/dbraw/zinc/77/95/70/555779570.db2.gz DDVXXAUEBHJXLF-UHFFFAOYSA-N 1 1 498.652 4.457 50 0 JIAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014534768 555823588 /nfs/dbraw/zinc/82/35/88/555823588.db2.gz QQWBGXCLUMXGJB-VWLOTQADSA-N 1 1 452.602 4.265 50 0 JIAAMO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014534873 555823660 /nfs/dbraw/zinc/82/36/60/555823660.db2.gz ZCGKJHRHUFXRCS-QJOMJCCJSA-N 1 1 498.023 4.220 50 0 JIAAMO CCCCc1nc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCOCC3)CC2)c[nH]1 ZINC000011789329 555823949 /nfs/dbraw/zinc/82/39/49/555823949.db2.gz VRNSEBKIULZKDR-XMMPIXPASA-N 1 1 464.654 4.219 50 0 JIAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011820912 555831100 /nfs/dbraw/zinc/83/11/00/555831100.db2.gz ISZSBZITNVMXOD-HHHXNRCGSA-N 1 1 451.611 4.160 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000020598512 555840437 /nfs/dbraw/zinc/84/04/37/555840437.db2.gz MZPPGVMDIIRGFL-UHFFFAOYSA-N 1 1 465.619 4.030 50 0 JIAAMO COC(=O)c1sc2nc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)c1ccoc1 ZINC000014999856 555844361 /nfs/dbraw/zinc/84/43/61/555844361.db2.gz HCQOMLSHHANSNM-UHFFFAOYSA-N 1 1 493.589 4.443 50 0 JIAAMO COC(=O)c1sc2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C3CC3)ccc2c1NC(=O)c1ccoc1 ZINC000014999856 555844364 /nfs/dbraw/zinc/84/43/64/555844364.db2.gz HCQOMLSHHANSNM-UHFFFAOYSA-N 1 1 493.589 4.443 50 0 JIAAMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011958767 555870051 /nfs/dbraw/zinc/87/00/51/555870051.db2.gz YURMDBKITCUNIP-DEOSSOPVSA-N 1 1 450.627 4.206 50 0 JIAAMO COc1ccc(-c2csc3nc(C)nc(N4CC[NH+](Cc5cccnc5)CC4)c23)cc1OC ZINC000022091969 555873258 /nfs/dbraw/zinc/87/32/58/555873258.db2.gz DXLKVEHPLAFABM-UHFFFAOYSA-N 1 1 461.591 4.401 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000022130674 555879844 /nfs/dbraw/zinc/87/98/44/555879844.db2.gz LQOXGXHYMADDCP-FIPFOOKPSA-N 1 1 461.558 4.294 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000022130674 555879846 /nfs/dbraw/zinc/87/98/46/555879846.db2.gz LQOXGXHYMADDCP-FIPFOOKPSA-N 1 1 461.558 4.294 50 0 JIAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000012037312 555890352 /nfs/dbraw/zinc/89/03/52/555890352.db2.gz VGNLUJPSNNWQMO-VWLOTQADSA-N 1 1 461.610 4.139 50 0 JIAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4)cc2)CC3)cc1 ZINC000012041099 555893835 /nfs/dbraw/zinc/89/38/35/555893835.db2.gz FGVUZPCNVWHZPI-UHFFFAOYSA-N 1 1 465.601 4.284 50 0 JIAAMO CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NCC[C@H]2CCC[N@H+]2C)CC1 ZINC000012166979 555933403 /nfs/dbraw/zinc/93/34/03/555933403.db2.gz RXWNGQLXVQCJIB-HXUWFJFHSA-N 1 1 484.666 4.112 50 0 JIAAMO O=C(C1CCN(c2nc3ccccc3n3cccc23)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015676891 555940603 /nfs/dbraw/zinc/94/06/03/555940603.db2.gz PEFIFULUECMMRN-UHFFFAOYSA-N 1 1 453.590 4.048 50 0 JIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022914365 555969524 /nfs/dbraw/zinc/96/95/24/555969524.db2.gz BRECMCHEJQHIPY-QGZVFWFLSA-N 1 1 466.409 4.334 50 0 JIAAMO CCOc1cc2c(cc1NC(=O)CN1CCC[N@H+](Cc3ccc(Cl)cc3)CC1)O[C@@H](C)C2 ZINC000022929564 555982086 /nfs/dbraw/zinc/98/20/86/555982086.db2.gz RMXBSCIVSSHNKG-SFHVURJKSA-N 1 1 458.002 4.209 50 0 JIAAMO CCOc1cc2c(cc1NC(=O)CN1CCC[N@@H+](Cc3ccc(Cl)cc3)CC1)O[C@@H](C)C2 ZINC000022929564 555982089 /nfs/dbraw/zinc/98/20/89/555982089.db2.gz RMXBSCIVSSHNKG-SFHVURJKSA-N 1 1 458.002 4.209 50 0 JIAAMO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000012521023 555991975 /nfs/dbraw/zinc/99/19/75/555991975.db2.gz CMHNKTKIMTXUMI-HSZRJFAPSA-N 1 1 467.591 4.346 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2)cc1 ZINC000012521066 555992353 /nfs/dbraw/zinc/99/23/53/555992353.db2.gz CHGMWIQKNZGDME-HSZRJFAPSA-N 1 1 467.591 4.346 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)c(C)c2)cc1 ZINC000015823184 556011396 /nfs/dbraw/zinc/01/13/96/556011396.db2.gz BMMXRGGFEFKAJW-UHFFFAOYSA-N 1 1 491.657 4.152 50 0 JIAAMO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000015868674 556046020 /nfs/dbraw/zinc/04/60/20/556046020.db2.gz MTMURUGASJLJGV-VQTJNVASSA-N 1 1 468.642 4.046 50 0 JIAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1 ZINC000015880202 556052242 /nfs/dbraw/zinc/05/22/42/556052242.db2.gz XBPHZHTWCXIJBN-UHFFFAOYSA-N 1 1 496.658 4.303 50 0 JIAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1 ZINC000015880202 556052245 /nfs/dbraw/zinc/05/22/45/556052245.db2.gz XBPHZHTWCXIJBN-UHFFFAOYSA-N 1 1 496.658 4.303 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC2 ZINC000015946678 556083400 /nfs/dbraw/zinc/08/34/00/556083400.db2.gz LJCSJPMAJDXOKF-UHFFFAOYSA-N 1 1 459.955 4.472 50 0 JIAAMO COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000012593775 556089170 /nfs/dbraw/zinc/08/91/70/556089170.db2.gz NBXBNJZHJKIMJH-NRFANRHFSA-N 1 1 472.589 4.092 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001872 556106752 /nfs/dbraw/zinc/10/67/52/556106752.db2.gz QYHBXRKBQHUVCN-CBPXPLCBSA-N 1 1 464.949 4.479 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001872 556106756 /nfs/dbraw/zinc/10/67/56/556106756.db2.gz QYHBXRKBQHUVCN-CBPXPLCBSA-N 1 1 464.949 4.479 50 0 JIAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000016891249 556172525 /nfs/dbraw/zinc/17/25/25/556172525.db2.gz SPOOUHHTHPEABK-CLOONOSVSA-N 1 1 465.619 4.447 50 0 JIAAMO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993679 556197870 /nfs/dbraw/zinc/19/78/70/556197870.db2.gz DQLITAVFYMZPFO-MUUNZHRXSA-N 1 1 466.585 4.217 50 0 JIAAMO CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1 ZINC000017270965 556249459 /nfs/dbraw/zinc/24/94/59/556249459.db2.gz KMBGGUMIWPZWEF-UHFFFAOYSA-N 1 1 481.622 4.218 50 0 JIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1(c2ccc(Br)cc2)CCCC1 ZINC000026303537 556251744 /nfs/dbraw/zinc/25/17/44/556251744.db2.gz IVBUYOKZKJKBDP-UHFFFAOYSA-N 1 1 457.412 4.410 50 0 JIAAMO CCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1OCC ZINC000017315442 556257358 /nfs/dbraw/zinc/25/73/58/556257358.db2.gz WXLUHFOJNYLTBC-UHFFFAOYSA-N 1 1 461.566 4.288 50 0 JIAAMO COc1ccc(CNC(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1OC ZINC000019743163 556364967 /nfs/dbraw/zinc/36/49/67/556364967.db2.gz WNEYHYXCLMQDLH-AREMUKBSSA-N 1 1 464.537 4.485 50 0 JIAAMO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019793358 556373106 /nfs/dbraw/zinc/37/31/06/556373106.db2.gz IXEPKNAIOITOAE-UHFFFAOYSA-N 1 1 497.595 4.462 50 0 JIAAMO C[N@@H+](Cc1ccccc1NC(=O)CSCc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000032909650 556532895 /nfs/dbraw/zinc/53/28/95/556532895.db2.gz JHBFDQNWBVTLLE-UHFFFAOYSA-N 1 1 456.637 4.392 50 0 JIAAMO O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O ZINC000055327974 569591638 /nfs/dbraw/zinc/59/16/38/569591638.db2.gz RKQXSBHPKUFUMI-UHFFFAOYSA-N 1 1 461.581 4.358 50 0 JIAAMO Cc1cnc(-n2ncc(C(=O)N3CC[NH+](C(C)C)CC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000055324826 569591649 /nfs/dbraw/zinc/59/16/49/569591649.db2.gz KEFSCDJEBNGFOM-UHFFFAOYSA-N 1 1 450.562 4.066 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008725898 569600602 /nfs/dbraw/zinc/60/06/02/569600602.db2.gz JXYJIINDWYSWRS-UHFFFAOYSA-N 1 1 480.575 4.359 50 0 JIAAMO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc21 ZINC000032986573 569608931 /nfs/dbraw/zinc/60/89/31/569608931.db2.gz KXBHXZGLPXIBHV-UHFFFAOYSA-N 1 1 453.970 4.406 50 0 JIAAMO C[N@@H+](CCCNCc1cccn1-c1nnc(N2CCN(c3ccccc3)CC2)s1)C1CCCCC1 ZINC000063584641 569615537 /nfs/dbraw/zinc/61/55/37/569615537.db2.gz MVZFAUHQCFRZCJ-UHFFFAOYSA-N 1 1 493.725 4.400 50 0 JIAAMO COCc1c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1CC1CCCCC1 ZINC000064074234 569616120 /nfs/dbraw/zinc/61/61/20/569616120.db2.gz WPQRUECXYXHMAT-AREMUKBSSA-N 1 1 491.676 4.199 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cc(C)ccc4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000064197547 569616268 /nfs/dbraw/zinc/61/62/68/569616268.db2.gz PICJIFBNVOJSFY-RCYOKLDESA-N 1 1 477.564 4.318 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1 ZINC000064801124 569631405 /nfs/dbraw/zinc/63/14/05/569631405.db2.gz VRFYUADDRPNIHJ-UHFFFAOYSA-N 1 1 453.930 4.280 50 0 JIAAMO COc1ccccc1C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034681921 569643476 /nfs/dbraw/zinc/64/34/76/569643476.db2.gz HAMPXSJLPGJCSF-UHFFFAOYSA-N 1 1 452.505 4.333 50 0 JIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681767 569643482 /nfs/dbraw/zinc/64/34/82/569643482.db2.gz BYDSQSPTPYKAKC-UHFFFAOYSA-N 1 1 455.484 4.460 50 0 JIAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)c(OC)c1 ZINC000034681927 569643709 /nfs/dbraw/zinc/64/37/09/569643709.db2.gz VFTGNVDBVZJZBY-UHFFFAOYSA-N 1 1 482.531 4.342 50 0 JIAAMO O=C(Nc1ccc(N2CCC[N@H+](C[C@@H](O)Cc3ccccc3)CC2)nc1)c1ccccc1Cl ZINC000034682216 569643802 /nfs/dbraw/zinc/64/38/02/569643802.db2.gz CBEAPFJUGZHUKZ-QFIPXVFZSA-N 1 1 464.997 4.103 50 0 JIAAMO COc1ccc(N(C2CC[NH+](Cc3ccncc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000034683747 569644660 /nfs/dbraw/zinc/64/46/60/569644660.db2.gz CLGXTKMYWWFECR-UHFFFAOYSA-N 1 1 485.581 4.098 50 0 JIAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccn2)CC1 ZINC000034683832 569644684 /nfs/dbraw/zinc/64/46/84/569644684.db2.gz SNLVEFMLOOPNLJ-UHFFFAOYSA-N 1 1 485.993 4.324 50 0 JIAAMO Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)nc2)cc1 ZINC000065023316 569649876 /nfs/dbraw/zinc/64/98/76/569649876.db2.gz XJIQMBDQJPXFPE-RUZDIDTESA-N 1 1 455.606 4.013 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034787676 569659794 /nfs/dbraw/zinc/65/97/94/569659794.db2.gz TXCGBUMOEJNTEH-AREMUKBSSA-N 1 1 465.663 4.255 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034787676 569659795 /nfs/dbraw/zinc/65/97/95/569659795.db2.gz TXCGBUMOEJNTEH-AREMUKBSSA-N 1 1 465.663 4.255 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829709 569663437 /nfs/dbraw/zinc/66/34/37/569663437.db2.gz WIENNNJGVFREGW-ZBLYBZFDSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829709 569663438 /nfs/dbraw/zinc/66/34/38/569663438.db2.gz WIENNNJGVFREGW-ZBLYBZFDSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829956 569663655 /nfs/dbraw/zinc/66/36/55/569663655.db2.gz QASOYFUTMROAOS-NTKDMRAZSA-N 1 1 468.667 4.045 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829956 569663656 /nfs/dbraw/zinc/66/36/56/569663656.db2.gz QASOYFUTMROAOS-NTKDMRAZSA-N 1 1 468.667 4.045 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)CC(C)C)[C@H](C)C1 ZINC000034830285 569663777 /nfs/dbraw/zinc/66/37/77/569663777.db2.gz NJAWSBSUFJETEB-ZBLYBZFDSA-N 1 1 467.679 4.500 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)[C@@H]1c1ccccc1 ZINC000034927909 569673364 /nfs/dbraw/zinc/67/33/64/569673364.db2.gz UNTUVIRHLQGZMP-WDYNHAJCSA-N 1 1 497.639 4.267 50 0 JIAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccccc1 ZINC000035398350 569688871 /nfs/dbraw/zinc/68/88/71/569688871.db2.gz SWFZXBRDCROGBW-UHFFFAOYSA-N 1 1 457.622 4.388 50 0 JIAAMO C[N@@H+]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)[C@@H](c2ccccc2)C1 ZINC000067880043 569691042 /nfs/dbraw/zinc/69/10/42/569691042.db2.gz RLKULZHOPHYQHY-OAQYLSRUSA-N 1 1 451.640 4.291 50 0 JIAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)[C@@H](c2ccccc2)C1 ZINC000067880043 569691045 /nfs/dbraw/zinc/69/10/45/569691045.db2.gz RLKULZHOPHYQHY-OAQYLSRUSA-N 1 1 451.640 4.291 50 0 JIAAMO Cc1cn2c(/C=C/C(=O)N3CC[NH+](CCCc4nc(-c5ccc(C)cc5)no4)CC3)c(C)nc2s1 ZINC000071999088 569699373 /nfs/dbraw/zinc/69/93/73/569699373.db2.gz IEXGXCPCZXNKTP-ZHACJKMWSA-N 1 1 490.633 4.161 50 0 JIAAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000084367293 569709108 /nfs/dbraw/zinc/70/91/08/569709108.db2.gz QAXIKXPTPBMDTE-HRNNMHKYSA-N 1 1 496.051 4.262 50 0 JIAAMO CC(C)c1nnc(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)n1-c1ccc(F)cc1 ZINC000085424832 569710883 /nfs/dbraw/zinc/71/08/83/569710883.db2.gz NNFPZSPIDCJMHP-UHFFFAOYSA-N 1 1 453.587 4.210 50 0 JIAAMO CCOCCC[N@@H+](CCCC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844929 569715624 /nfs/dbraw/zinc/71/56/24/569715624.db2.gz JKAUYTQZOPBKQV-UHFFFAOYSA-N 1 1 472.626 4.231 50 0 JIAAMO O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12)N1CCOCC1 ZINC000035871956 569719128 /nfs/dbraw/zinc/71/91/28/569719128.db2.gz WDFKFJPXMZHUFO-GMAHTHKFSA-N 1 1 493.957 4.081 50 0 JIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC=C(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000095349223 569722351 /nfs/dbraw/zinc/72/23/51/569722351.db2.gz YRVDZOHWZUNFLQ-UHFFFAOYSA-N 1 1 458.606 4.000 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)C1 ZINC000097993244 569748655 /nfs/dbraw/zinc/74/86/55/569748655.db2.gz YXJPCDWYTDRVLD-LEWITINRSA-N 1 1 457.640 4.115 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C[C@@H](O)COC(C)C ZINC000036249920 569758207 /nfs/dbraw/zinc/75/82/07/569758207.db2.gz SYPFLVSWYDGBNS-HSZRJFAPSA-N 1 1 459.631 4.345 50 0 JIAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036250085 569758217 /nfs/dbraw/zinc/75/82/17/569758217.db2.gz NULLQLUCOSRWFV-NRFANRHFSA-N 1 1 452.426 4.323 50 0 JIAAMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036250336 569758320 /nfs/dbraw/zinc/75/83/20/569758320.db2.gz PFEHJOSZUCNGQX-XMSQKQJNSA-N 1 1 465.560 4.423 50 0 JIAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1F ZINC000036312199 569760125 /nfs/dbraw/zinc/76/01/25/569760125.db2.gz PJWAUBQEOCNJMI-UHFFFAOYSA-N 1 1 454.521 4.424 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000036340926 569764191 /nfs/dbraw/zinc/76/41/91/569764191.db2.gz NLMSDAKMORMKBW-LJAQVGFWSA-N 1 1 482.628 4.499 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036342040 569765357 /nfs/dbraw/zinc/76/53/57/569765357.db2.gz MBKFTKNNFPUTFB-QHCPKHFHSA-N 1 1 471.573 4.346 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036342040 569765358 /nfs/dbraw/zinc/76/53/58/569765358.db2.gz MBKFTKNNFPUTFB-QHCPKHFHSA-N 1 1 471.573 4.346 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000036345936 569768690 /nfs/dbraw/zinc/76/86/90/569768690.db2.gz BPSHDKZHSCIZHW-VWLOTQADSA-N 1 1 478.637 4.187 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346246 569769374 /nfs/dbraw/zinc/76/93/74/569769374.db2.gz ANHHIDBLTGNUAZ-HSZRJFAPSA-N 1 1 471.573 4.346 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346246 569769375 /nfs/dbraw/zinc/76/93/75/569769375.db2.gz ANHHIDBLTGNUAZ-HSZRJFAPSA-N 1 1 471.573 4.346 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346631 569770444 /nfs/dbraw/zinc/77/04/44/569770444.db2.gz SNXRICOJPMLWKJ-JOCHJYFZSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346631 569770446 /nfs/dbraw/zinc/77/04/46/569770446.db2.gz SNXRICOJPMLWKJ-JOCHJYFZSA-N 1 1 475.536 4.097 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCC[NH+]4CCCCCC4)c3=O)c2c1 ZINC000101497533 569800872 /nfs/dbraw/zinc/80/08/72/569800872.db2.gz ATVCGVWCDPGBBH-UHFFFAOYSA-N 1 1 485.654 4.102 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000101798701 569805193 /nfs/dbraw/zinc/80/51/93/569805193.db2.gz WCLMWHYQBAJRQP-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798701 569805195 /nfs/dbraw/zinc/80/51/95/569805195.db2.gz WCLMWHYQBAJRQP-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO CC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4cccc(C)c4)N23)CC1 ZINC000101919943 569807868 /nfs/dbraw/zinc/80/78/68/569807868.db2.gz DZKQDNMDZHUOCQ-XMMPIXPASA-N 1 1 482.650 4.076 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102546587 569814134 /nfs/dbraw/zinc/81/41/34/569814134.db2.gz YPJRDMQHTFIOQP-PRHHBONVSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102546587 569814136 /nfs/dbraw/zinc/81/41/36/569814136.db2.gz YPJRDMQHTFIOQP-PRHHBONVSA-N 1 1 490.774 4.386 50 0 JIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)c(Cl)c2)C1 ZINC000103581852 569836374 /nfs/dbraw/zinc/83/63/74/569836374.db2.gz WZDQLFMAWDYZPE-GYCJOSAFSA-N 1 1 491.419 4.429 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)C(C)C)c1 ZINC000103945319 569839539 /nfs/dbraw/zinc/83/95/39/569839539.db2.gz UNLOMFTYUAHFBD-HOIFWPIMSA-N 1 1 488.654 4.031 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008198 569850114 /nfs/dbraw/zinc/85/01/14/569850114.db2.gz PEDYDMFQKNUUQS-NTKDMRAZSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008198 569850115 /nfs/dbraw/zinc/85/01/15/569850115.db2.gz PEDYDMFQKNUUQS-NTKDMRAZSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008663 569850309 /nfs/dbraw/zinc/85/03/09/569850309.db2.gz MFMRSHMEAYRJGT-XMSQKQJNSA-N 1 1 497.979 4.022 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008663 569850311 /nfs/dbraw/zinc/85/03/11/569850311.db2.gz MFMRSHMEAYRJGT-XMSQKQJNSA-N 1 1 497.979 4.022 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679680 569869845 /nfs/dbraw/zinc/86/98/45/569869845.db2.gz QASOYFUTMROAOS-YADARESESA-N 1 1 468.667 4.045 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679680 569869846 /nfs/dbraw/zinc/86/98/46/569869846.db2.gz QASOYFUTMROAOS-YADARESESA-N 1 1 468.667 4.045 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169680388 569870528 /nfs/dbraw/zinc/87/05/28/569870528.db2.gz MSJYLCORJXSVBF-ZJSXRUAMSA-N 1 1 488.694 4.449 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc1 ZINC000169680591 569870649 /nfs/dbraw/zinc/87/06/49/569870649.db2.gz XXMPFRCLWKGSSW-RXFWQSSRSA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc1 ZINC000169680591 569870650 /nfs/dbraw/zinc/87/06/50/569870650.db2.gz XXMPFRCLWKGSSW-RXFWQSSRSA-N 1 1 465.663 4.254 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000240444263 570052843 /nfs/dbraw/zinc/05/28/43/570052843.db2.gz FXBOTGJZPGRWHN-KHVXQDHOSA-N 1 1 479.621 4.097 50 0 JIAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000240333277 570052980 /nfs/dbraw/zinc/05/29/80/570052980.db2.gz FCRWLVPSRMJHJS-CTUHWIOQSA-N 1 1 470.013 4.408 50 0 JIAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000240333277 570052981 /nfs/dbraw/zinc/05/29/81/570052981.db2.gz FCRWLVPSRMJHJS-CTUHWIOQSA-N 1 1 470.013 4.408 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000241897186 570053541 /nfs/dbraw/zinc/05/35/41/570053541.db2.gz TWJQJXPZLWOGHB-NRFANRHFSA-N 1 1 455.605 4.349 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000241897186 570053543 /nfs/dbraw/zinc/05/35/43/570053543.db2.gz TWJQJXPZLWOGHB-NRFANRHFSA-N 1 1 455.605 4.349 50 0 JIAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245255236 570060018 /nfs/dbraw/zinc/06/00/18/570060018.db2.gz GHNGAUZSLLTQRK-GYKHTSFTSA-N 1 1 497.982 4.366 50 0 JIAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245255238 570060021 /nfs/dbraw/zinc/06/00/21/570060021.db2.gz GHNGAUZSLLTQRK-RTAAPDIRSA-N 1 1 497.982 4.366 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245279070 570061415 /nfs/dbraw/zinc/06/14/15/570061415.db2.gz BMUXZGFXTRAJCT-FCHUYYIVSA-N 1 1 483.584 4.397 50 0 JIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1)C(=O)C(C)C ZINC000245325601 570064234 /nfs/dbraw/zinc/06/42/34/570064234.db2.gz BHHHPAUYIRRGFC-BVAGGSTKSA-N 1 1 454.611 4.050 50 0 JIAAMO CC(C)COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000245330395 570066836 /nfs/dbraw/zinc/06/68/36/570066836.db2.gz YBYSYROXAQYCEK-XUZZJYLKSA-N 1 1 492.657 4.136 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247851777 570070088 /nfs/dbraw/zinc/07/00/88/570070088.db2.gz VZHMACPGRZDTGC-YDSTWLSQSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247851777 570070089 /nfs/dbraw/zinc/07/00/89/570070089.db2.gz VZHMACPGRZDTGC-YDSTWLSQSA-N 1 1 489.881 4.098 50 0 JIAAMO CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000248027495 570073025 /nfs/dbraw/zinc/07/30/25/570073025.db2.gz MQKXBDCSRVHXFZ-HSZRJFAPSA-N 1 1 459.638 4.258 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000248066180 570073357 /nfs/dbraw/zinc/07/33/57/570073357.db2.gz FWOQIYZXXHKJHC-HYBUGGRVSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248124119 570074638 /nfs/dbraw/zinc/07/46/38/570074638.db2.gz UAKKRJAFLXLMDG-QHCPKHFHSA-N 1 1 459.638 4.486 50 0 JIAAMO COc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)c1 ZINC000248159479 570075725 /nfs/dbraw/zinc/07/57/25/570075725.db2.gz KDAUGSRKJAJFER-UHFFFAOYSA-N 1 1 475.637 4.187 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1 ZINC000248243153 570076570 /nfs/dbraw/zinc/07/65/70/570076570.db2.gz PGOQKRSGGUXBSO-YYDVJCTNSA-N 1 1 480.678 4.443 50 0 JIAAMO O=C(CN1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1)NCCc1ccc(OC(F)F)cc1 ZINC000250641175 570079199 /nfs/dbraw/zinc/07/91/99/570079199.db2.gz DZAOHXYYTJFWSW-DNQXCXABSA-N 1 1 457.565 4.076 50 0 JIAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)cc1 ZINC000299758127 570174356 /nfs/dbraw/zinc/17/43/56/570174356.db2.gz CWEQLQARZRBCCW-RUZDIDTESA-N 1 1 483.616 4.335 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccc3c4c2cccc4C(=O)N(c2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000003218335 194241491 /nfs/dbraw/zinc/24/14/91/194241491.db2.gz FJSBOKGZRDNRCM-UHFFFAOYSA-N 1 1 481.474 4.437 50 0 JIAAMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4F)oc3C)CC2)cc1OC ZINC000004076254 194374988 /nfs/dbraw/zinc/37/49/88/194374988.db2.gz YIEARLMMTQQPAD-UHFFFAOYSA-N 1 1 481.568 4.377 50 0 JIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000004301805 194387900 /nfs/dbraw/zinc/38/79/00/194387900.db2.gz YTHDCUCOECLFQM-ZSQFBXSQSA-N 1 1 454.567 4.019 50 0 JIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000004301805 194387901 /nfs/dbraw/zinc/38/79/01/194387901.db2.gz YTHDCUCOECLFQM-ZSQFBXSQSA-N 1 1 454.567 4.019 50 0 JIAAMO O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000004374464 194388579 /nfs/dbraw/zinc/38/85/79/194388579.db2.gz CDPOFXVLELFQGF-BPQIPLTHSA-N 1 1 498.347 4.226 50 0 JIAAMO COc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)[NH+]2CCCCC2)cc1 ZINC000012687066 195086316 /nfs/dbraw/zinc/08/63/16/195086316.db2.gz JUDAUVJXJJZPCF-HSZRJFAPSA-N 1 1 466.578 4.163 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+](C)C ZINC000012778959 195122883 /nfs/dbraw/zinc/12/28/83/195122883.db2.gz JVVCSDLNSPVHOY-TZIWHRDSSA-N 1 1 466.409 4.176 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccc1Cl ZINC000012790953 195131964 /nfs/dbraw/zinc/13/19/64/195131964.db2.gz FNHJZIGHDMUPSR-RTWAWAEBSA-N 1 1 456.011 4.162 50 0 JIAAMO CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012808943 195143381 /nfs/dbraw/zinc/14/33/81/195143381.db2.gz GNCMEKOEHXFFPY-IBGZPJMESA-N 1 1 471.026 4.114 50 0 JIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000012819498 195148657 /nfs/dbraw/zinc/14/86/57/195148657.db2.gz WGBOXIUEVIXKTB-NRFANRHFSA-N 1 1 480.030 4.155 50 0 JIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000012819498 195148659 /nfs/dbraw/zinc/14/86/59/195148659.db2.gz WGBOXIUEVIXKTB-NRFANRHFSA-N 1 1 480.030 4.155 50 0 JIAAMO O=C(CCCc1cn(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc12)N1CCCCC1 ZINC000020759954 195217196 /nfs/dbraw/zinc/21/71/96/195217196.db2.gz OJKRGCKCNUXAME-LADGPHEKSA-N 1 1 472.633 4.215 50 0 biogenic JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4nc5ccccc5s4)CC3)n2)cc1OC ZINC000020940409 195255206 /nfs/dbraw/zinc/25/52/06/195255206.db2.gz GNZWAMZCWXIOIM-UHFFFAOYSA-N 1 1 479.562 4.214 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000020986262 195260724 /nfs/dbraw/zinc/26/07/24/195260724.db2.gz FOKJAQUBNRGZKG-NRFANRHFSA-N 1 1 464.635 4.145 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098217 195275912 /nfs/dbraw/zinc/27/59/12/195275912.db2.gz YWKRRXAMUXWMKC-DEOSSOPVSA-N 1 1 468.525 4.007 50 0 aggregator JIAAMO O=C(CCNC(=O)c1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021298610 195293378 /nfs/dbraw/zinc/29/33/78/195293378.db2.gz GADQGDLXQQADFF-UHFFFAOYSA-N 1 1 461.993 4.394 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934140 195335831 /nfs/dbraw/zinc/33/58/31/195335831.db2.gz KDKBAMKSZQJGNB-UHFFFAOYSA-N 1 1 469.564 4.378 50 0 JIAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000058144986 195366875 /nfs/dbraw/zinc/36/68/75/195366875.db2.gz REOLFDWVLFLRTR-SFHVURJKSA-N 1 1 452.986 4.044 50 0 JIAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000058144986 195366878 /nfs/dbraw/zinc/36/68/78/195366878.db2.gz REOLFDWVLFLRTR-SFHVURJKSA-N 1 1 452.986 4.044 50 0 JIAAMO CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)OC(C)(C)C ZINC000058229385 195374682 /nfs/dbraw/zinc/37/46/82/195374682.db2.gz OWYYOXLTZRJRQU-SFHVURJKSA-N 1 1 459.587 4.246 50 0 JIAAMO CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)OC(C)(C)C ZINC000058229385 195374685 /nfs/dbraw/zinc/37/46/85/195374685.db2.gz OWYYOXLTZRJRQU-SFHVURJKSA-N 1 1 459.587 4.246 50 0 JIAAMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000060127896 195414740 /nfs/dbraw/zinc/41/47/40/195414740.db2.gz CNGNXQSTBLAJST-JTAQYXEDSA-N 1 1 457.640 4.061 50 0 JIAAMO CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCC[N@H+](C(C)C)C3CCCCC3)cc21 ZINC000064952288 519532456 /nfs/dbraw/zinc/53/24/56/519532456.db2.gz XLMODYDYYDREOB-UHFFFAOYSA-N 1 1 467.701 4.247 50 0 JIAAMO CCC[NH+]1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(Cl)cc5)CC4)c3c2)CC1 ZINC000065002133 519857057 /nfs/dbraw/zinc/85/70/57/519857057.db2.gz LFTASAHMHIOXRQ-UHFFFAOYSA-N 1 1 478.040 4.383 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036309279 520153297 /nfs/dbraw/zinc/15/32/97/520153297.db2.gz BNTHIQDVVCNFLR-KNQAVFIVSA-N 1 1 481.058 4.014 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccoc2)C1 ZINC000014993645 520541155 /nfs/dbraw/zinc/54/11/55/520541155.db2.gz MBTMHTWFKXMQLO-INIZCTEOSA-N 1 1 498.605 4.009 50 0 JIAAMO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3c(F)ccc(F)c3F)CC2)[C@H]1OCCOC ZINC000012456592 521184268 /nfs/dbraw/zinc/18/42/68/521184268.db2.gz LCXRDUPWDXPROS-RPBOFIJWSA-N 1 1 476.539 4.250 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697682 522061546 /nfs/dbraw/zinc/06/15/46/522061546.db2.gz MBYOHSHJZGNXDL-RUZDIDTESA-N 1 1 485.987 4.213 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697680 522064602 /nfs/dbraw/zinc/06/46/02/522064602.db2.gz MBYOHSHJZGNXDL-VWLOTQADSA-N 1 1 485.987 4.213 50 0 JIAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(-c1ccc(Cl)cc1)c2=O ZINC000033300510 522184077 /nfs/dbraw/zinc/18/40/77/522184077.db2.gz LGFZSTMPZHPMHO-UHFFFAOYSA-N 1 1 488.975 4.148 50 0 JIAAMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc2c1OCO2 ZINC000014992321 522377778 /nfs/dbraw/zinc/37/77/78/522377778.db2.gz TXQKLOCYLPZRMK-IBGZPJMESA-N 1 1 452.580 4.224 50 0 JIAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060383 522529046 /nfs/dbraw/zinc/52/90/46/522529046.db2.gz CBWXPSOCMALAAZ-KRWDZBQOSA-N 1 1 457.987 4.084 50 0 JIAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(SC)cc2)CC3)o1 ZINC000014969644 522961454 /nfs/dbraw/zinc/96/14/54/522961454.db2.gz RCYGVPXXCISDLO-QFIPXVFZSA-N 1 1 497.665 4.315 50 0 JIAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccc(Cl)c2)CC3)o1 ZINC000012282299 522962473 /nfs/dbraw/zinc/96/24/73/522962473.db2.gz JZHFGXMFENIHGG-NRFANRHFSA-N 1 1 486.016 4.246 50 0 JIAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(Cl)c2)CC3)o1 ZINC000012282299 522962480 /nfs/dbraw/zinc/96/24/80/522962480.db2.gz JZHFGXMFENIHGG-NRFANRHFSA-N 1 1 486.016 4.246 50 0 JIAAMO COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033173497 523107345 /nfs/dbraw/zinc/10/73/45/523107345.db2.gz MQFWMENIYJZCKT-UHFFFAOYSA-N 1 1 473.517 4.008 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1 ZINC000008812990 523171773 /nfs/dbraw/zinc/17/17/73/523171773.db2.gz JOQICFLODYVKHY-JOCHJYFZSA-N 1 1 485.650 4.171 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036305723 523734809 /nfs/dbraw/zinc/73/48/09/523734809.db2.gz GMROZXURKWBAAC-JOCHJYFZSA-N 1 1 483.609 4.122 50 0 JIAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](CC(C)C)C2)cc1 ZINC000014749454 524064906 /nfs/dbraw/zinc/06/49/06/524064906.db2.gz ZGZHDMAABZSLCI-BJKOFHAPSA-N 1 1 463.622 4.033 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c(=O)c2C1 ZINC000033331786 524454159 /nfs/dbraw/zinc/45/41/59/524454159.db2.gz VZPRZZGSKXJATA-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c(=O)c2C1 ZINC000033331786 524454167 /nfs/dbraw/zinc/45/41/67/524454167.db2.gz VZPRZZGSKXJATA-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000014978649 524940835 /nfs/dbraw/zinc/94/08/35/524940835.db2.gz NOVZUJCCCVECNZ-NRFANRHFSA-N 1 1 469.589 4.406 50 0 JIAAMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022785064 525583478 /nfs/dbraw/zinc/58/34/78/525583478.db2.gz WWOWRMWJSXVSIV-OFVILXPXSA-N 1 1 469.676 4.282 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2ccccc2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456369 525820328 /nfs/dbraw/zinc/82/03/28/525820328.db2.gz GCQNZOYFCUFXMI-UHFFFAOYSA-N 1 1 478.596 4.093 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2ccccc2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456369 525820336 /nfs/dbraw/zinc/82/03/36/525820336.db2.gz GCQNZOYFCUFXMI-UHFFFAOYSA-N 1 1 478.596 4.093 50 0 JIAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103719 525923193 /nfs/dbraw/zinc/92/31/93/525923193.db2.gz QCERPLVYOMCUAO-QHCPKHFHSA-N 1 1 465.546 4.012 50 0 JIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103719 525923208 /nfs/dbraw/zinc/92/32/08/525923208.db2.gz QCERPLVYOMCUAO-QHCPKHFHSA-N 1 1 465.546 4.012 50 0 JIAAMO O=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000014993301 526817860 /nfs/dbraw/zinc/81/78/60/526817860.db2.gz QIUUEZLNBVFMGU-NDMDZEPMSA-N 1 1 457.618 4.029 50 0 JIAAMO O=C1[C@@H](Oc2cccc(Cl)c2)[C@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048249005 527108661 /nfs/dbraw/zinc/10/86/61/527108661.db2.gz YKZIWTQQCHZRHK-VXKWHMMOSA-N 1 1 450.913 4.062 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccccc1F ZINC000035456467 527350848 /nfs/dbraw/zinc/35/08/48/527350848.db2.gz RJWJYIFKNRSWCW-UHFFFAOYSA-N 1 1 486.522 4.386 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)Nc1ccccc1F ZINC000035456467 527350855 /nfs/dbraw/zinc/35/08/55/527350855.db2.gz RJWJYIFKNRSWCW-UHFFFAOYSA-N 1 1 486.522 4.386 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146801 527662573 /nfs/dbraw/zinc/66/25/73/527662573.db2.gz LLCHXWAXCCFIAI-NOZRDPDXSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146801 527662578 /nfs/dbraw/zinc/66/25/78/527662578.db2.gz LLCHXWAXCCFIAI-NOZRDPDXSA-N 1 1 452.501 4.400 50 0 JIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000014888322 527691471 /nfs/dbraw/zinc/69/14/71/527691471.db2.gz RQDSZKNUASIRCT-RUZDIDTESA-N 1 1 492.595 4.192 50 0 JIAAMO COc1ccc2c(c1)c(C(=O)C[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)c(C)n2Cc1ccccc1 ZINC000002091356 554034758 /nfs/dbraw/zinc/03/47/58/554034758.db2.gz WFRREHKBEBXWBX-XZOQPEGZSA-N 1 1 481.596 4.470 50 0 biogenic JIAAMO COc1ccc2c(c1)c(C(=O)C[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)c(C)n2Cc1ccccc1 ZINC000002091356 554034761 /nfs/dbraw/zinc/03/47/61/554034761.db2.gz WFRREHKBEBXWBX-XZOQPEGZSA-N 1 1 481.596 4.470 50 0 biogenic JIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000002311670 554143740 /nfs/dbraw/zinc/14/37/40/554143740.db2.gz IZYASTVBCVBFJY-OAQYLSRUSA-N 1 1 483.977 4.471 50 0 JIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000002311670 554143744 /nfs/dbraw/zinc/14/37/44/554143744.db2.gz IZYASTVBCVBFJY-OAQYLSRUSA-N 1 1 483.977 4.471 50 0 JIAAMO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[N@H+]5CCC[C@@H]5C4)c(Cl)c3n2)cc1 ZINC000002755805 554328238 /nfs/dbraw/zinc/32/82/38/554328238.db2.gz CFEGBTRWZQSXOQ-OAHLLOKOSA-N 1 1 463.891 4.297 50 0 JIAAMO O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002776759 554340151 /nfs/dbraw/zinc/34/01/51/554340151.db2.gz JUYIAEJUDCFWSB-HNNXBMFYSA-N 1 1 483.416 4.110 50 0 JIAAMO O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br)N1CC[N@H+]2CCC[C@H]2C1 ZINC000008444803 554594390 /nfs/dbraw/zinc/59/43/90/554594390.db2.gz OIHDSMHPHPZZFH-AWEZNQCLSA-N 1 1 494.315 4.098 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(C(=O)Nc4ccccc4O)CC3)c2c1C ZINC000008744717 554647808 /nfs/dbraw/zinc/64/78/08/554647808.db2.gz JEWAFJLXIYBBKY-UHFFFAOYSA-N 1 1 465.623 4.465 50 0 JIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc5c(c4)OCO5)cc2)N3)C1 ZINC000008817433 554700413 /nfs/dbraw/zinc/70/04/13/554700413.db2.gz XXMFWYRWOZKPIB-OAQYLSRUSA-N 1 1 463.515 4.113 50 0 JIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc5c(c4)OCO5)cc2)N3)C1 ZINC000008817433 554700415 /nfs/dbraw/zinc/70/04/15/554700415.db2.gz XXMFWYRWOZKPIB-OAQYLSRUSA-N 1 1 463.515 4.113 50 0 JIAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000009251650 555026063 /nfs/dbraw/zinc/02/60/63/555026063.db2.gz WCTZJQZNTAVQQX-QHCPKHFHSA-N 1 1 469.589 4.200 50 0 JIAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292389 555067629 /nfs/dbraw/zinc/06/76/29/555067629.db2.gz GZMZHCSKXFQDLW-JWQCQUIFSA-N 1 1 453.502 4.211 50 0 JIAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)c2ccccc2O1 ZINC000009406037 555165545 /nfs/dbraw/zinc/16/55/45/555165545.db2.gz QADGVABRLHXCKK-RUZDIDTESA-N 1 1 490.648 4.061 50 0 JIAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cc(C)ccc2C)cn3CC)CC1 ZINC000009435457 555206702 /nfs/dbraw/zinc/20/67/02/555206702.db2.gz BNTRKEBSOSXSQL-UHFFFAOYSA-N 1 1 485.625 4.142 50 0 JIAAMO CCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CC[NH+](CCC)CC3)cc21 ZINC000009435580 555206935 /nfs/dbraw/zinc/20/69/35/555206935.db2.gz YGKJFXBOSPEHSK-UHFFFAOYSA-N 1 1 485.625 4.224 50 0 JIAAMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000013367201 555389500 /nfs/dbraw/zinc/38/95/00/555389500.db2.gz LCAQDDFJDSKMLT-SFHVURJKSA-N 1 1 466.538 4.003 50 0 JIAAMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000013367201 555389503 /nfs/dbraw/zinc/38/95/03/555389503.db2.gz LCAQDDFJDSKMLT-SFHVURJKSA-N 1 1 466.538 4.003 50 0 JIAAMO COc1ccc(-c2cc3nc(C)c(CCC(=O)NC[C@@H]4CC[N@@H+](CC(C)C)C4)c(C)n3n2)c(OC)c1 ZINC000009610130 555439744 /nfs/dbraw/zinc/43/97/44/555439744.db2.gz AXVGSCYOVVBYDN-NRFANRHFSA-N 1 1 493.652 4.057 50 0 JIAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccc(COC)o4)n3CC2)cc1 ZINC000019837435 555507715 /nfs/dbraw/zinc/50/77/15/555507715.db2.gz YKZCYRWBSQPPKO-HSZRJFAPSA-N 1 1 479.625 4.155 50 0 JIAAMO CCCNC(=O)[C@@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[C@@H](C)CC ZINC000013593357 555528476 /nfs/dbraw/zinc/52/84/76/555528476.db2.gz HQTKJGYITDVCFF-URXFXBBRSA-N 1 1 450.627 4.044 50 0 JIAAMO Cc1nonc1C[N@@H+](C)[C@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000019939749 555557852 /nfs/dbraw/zinc/55/78/52/555557852.db2.gz KSEMGDOMUZLPFR-INIZCTEOSA-N 1 1 489.523 4.206 50 0 JIAAMO Cc1nonc1C[N@H+](C)[C@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000019939749 555557853 /nfs/dbraw/zinc/55/78/53/555557853.db2.gz KSEMGDOMUZLPFR-INIZCTEOSA-N 1 1 489.523 4.206 50 0 JIAAMO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000020104932 555637737 /nfs/dbraw/zinc/63/77/37/555637737.db2.gz VFDVBBYWSXQRFX-UHFFFAOYSA-N 1 1 499.659 4.427 50 0 JIAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cnc(N5CCOCC5)s4)C3)ccc2c1 ZINC000020210224 555702732 /nfs/dbraw/zinc/70/27/32/555702732.db2.gz YMLRYCBUUBFLGL-OAQYLSRUSA-N 1 1 451.592 4.236 50 0 JIAAMO O=C1CC[C@@H](N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)CCN1Cc1ccccc1Cl ZINC000020235245 555727424 /nfs/dbraw/zinc/72/74/24/555727424.db2.gz MDKYWBZZNZXBGM-RPBOFIJWSA-N 1 1 452.042 4.396 50 0 JIAAMO COC(=O)c1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000011343875 555774363 /nfs/dbraw/zinc/77/43/63/555774363.db2.gz IYHHABDLLJMBGJ-IBGZPJMESA-N 1 1 459.546 4.035 50 0 JIAAMO COC(=O)c1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000011343875 555774364 /nfs/dbraw/zinc/77/43/64/555774364.db2.gz IYHHABDLLJMBGJ-IBGZPJMESA-N 1 1 459.546 4.035 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535977 555825082 /nfs/dbraw/zinc/82/50/82/555825082.db2.gz KWCOAHXLHGEEIL-XFAFFCHDSA-N 1 1 489.591 4.351 50 0 JIAAMO O=C(COc1ccc2ccc(=O)oc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020573540 555825323 /nfs/dbraw/zinc/82/53/23/555825323.db2.gz AGCZSGMQXJQNMB-UHFFFAOYSA-N 1 1 454.526 4.106 50 0 biogenic JIAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014540102 555830126 /nfs/dbraw/zinc/83/01/26/555830126.db2.gz VYDCTXRYKASJNA-FQEVSTJZSA-N 1 1 457.018 4.325 50 0 JIAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014540102 555830129 /nfs/dbraw/zinc/83/01/29/555830129.db2.gz VYDCTXRYKASJNA-FQEVSTJZSA-N 1 1 457.018 4.325 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011913090 555862770 /nfs/dbraw/zinc/86/27/70/555862770.db2.gz CMLXTGCPDVKYKY-UKILVPOCSA-N 1 1 453.602 4.100 50 0 JIAAMO O[C@H](COC(C(F)(F)F)C(F)(F)F)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022036461 555865268 /nfs/dbraw/zinc/86/52/68/555865268.db2.gz OJVCHMUFIOZZTC-IBGZPJMESA-N 1 1 476.461 4.264 50 0 JIAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(OCc4ccccc4)cc2)CC3)c(C)o1 ZINC000012038481 555891513 /nfs/dbraw/zinc/89/15/13/555891513.db2.gz FJKZXSJUFQWHPT-UHFFFAOYSA-N 1 1 485.588 4.055 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012049508 555895638 /nfs/dbraw/zinc/89/56/38/555895638.db2.gz RQJDXNSDLBVUAR-YADARESESA-N 1 1 474.584 4.340 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(s1)c(C)ccc2OC ZINC000012140907 555920099 /nfs/dbraw/zinc/92/00/99/555920099.db2.gz YSPQLWRURSYDFX-UHFFFAOYSA-N 1 1 489.663 4.152 50 0 JIAAMO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCN(c4cccc(C)c4C)CC3)c2-n2cccc2)cc1 ZINC000015681284 555950356 /nfs/dbraw/zinc/95/03/56/555950356.db2.gz JCEBBMXSCOLOMN-UHFFFAOYSA-N 1 1 482.632 4.140 50 0 JIAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000012376176 555963368 /nfs/dbraw/zinc/96/33/68/555963368.db2.gz CYRHMXCKSGVZIU-KDYSTLNUSA-N 1 1 455.583 4.413 50 0 JIAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000012376176 555963372 /nfs/dbraw/zinc/96/33/72/555963372.db2.gz CYRHMXCKSGVZIU-KDYSTLNUSA-N 1 1 455.583 4.413 50 0 JIAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)Nc1ccccc1F ZINC000022894336 555964532 /nfs/dbraw/zinc/96/45/32/555964532.db2.gz JUUMEPFDMDDKOH-UHFFFAOYSA-N 1 1 486.897 4.083 50 0 JIAAMO CC(C)OC(=O)c1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000022918212 555971914 /nfs/dbraw/zinc/97/19/14/555971914.db2.gz NCWVOPGZRZGDTP-LJQANCHMSA-N 1 1 469.651 4.194 50 0 JIAAMO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c2)c1 ZINC000012521029 555991920 /nfs/dbraw/zinc/99/19/20/555991920.db2.gz DEKOLJZAKMFKML-QHCPKHFHSA-N 1 1 467.591 4.346 50 0 JIAAMO Cc1ccc(C(C)C)cc1OC[C@H](O)CN1CC[NH+](C[C@@H](O)COc2cc(C(C)C)ccc2C)CC1 ZINC000022943414 555993426 /nfs/dbraw/zinc/99/34/26/555993426.db2.gz ORKYVIHPLKAZNX-VSGBNLITSA-N 1 1 498.708 4.347 50 0 JIAAMO Cc1ccc(C(C)C)cc1OC[C@H](O)CN1CC[NH+](C[C@H](O)COc2cc(C(C)C)ccc2C)CC1 ZINC000022943420 555993449 /nfs/dbraw/zinc/99/34/49/555993449.db2.gz ORKYVIHPLKAZNX-HNRBIFIRSA-N 1 1 498.708 4.347 50 0 JIAAMO Cc1ccc(C(C)C)cc1OC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2cc(C(C)C)ccc2C)CC1 ZINC000022943420 555993452 /nfs/dbraw/zinc/99/34/52/555993452.db2.gz ORKYVIHPLKAZNX-HNRBIFIRSA-N 1 1 498.708 4.347 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000023128543 556018110 /nfs/dbraw/zinc/01/81/10/556018110.db2.gz JCXAHYNSACHZBZ-UHFFFAOYSA-N 1 1 473.598 4.060 50 0 JIAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000023129753 556018866 /nfs/dbraw/zinc/01/88/66/556018866.db2.gz CDTMEZMLMOTLLY-UHFFFAOYSA-N 1 1 481.600 4.007 50 0 JIAAMO c1c(C[NH+]2CCN(Cc3nnc4n3CCCCC4)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000023248798 556034701 /nfs/dbraw/zinc/03/47/01/556034701.db2.gz CVDJDWHSAGKZJQ-UHFFFAOYSA-N 1 1 467.621 4.175 50 0 JIAAMO C[N@@H+](Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1 ZINC000023352590 556048199 /nfs/dbraw/zinc/04/81/99/556048199.db2.gz VBVMEZZKYOPUIM-UHFFFAOYSA-N 1 1 469.651 4.491 50 0 JIAAMO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000015880206 556052103 /nfs/dbraw/zinc/05/21/03/556052103.db2.gz ONKGUPDABOQQOF-UHFFFAOYSA-N 1 1 498.674 4.373 50 0 JIAAMO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000015880206 556052106 /nfs/dbraw/zinc/05/21/06/556052106.db2.gz ONKGUPDABOQQOF-UHFFFAOYSA-N 1 1 498.674 4.373 50 0 JIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000023990041 556114477 /nfs/dbraw/zinc/11/44/77/556114477.db2.gz JICMVWMFMJZEKH-KRWDZBQOSA-N 1 1 483.663 4.473 50 0 JIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000023990041 556114478 /nfs/dbraw/zinc/11/44/78/556114478.db2.gz JICMVWMFMJZEKH-KRWDZBQOSA-N 1 1 483.663 4.473 50 0 JIAAMO CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000024022955 556116657 /nfs/dbraw/zinc/11/66/57/556116657.db2.gz NAMFDHCJPFVFMT-SANMLTNESA-N 1 1 465.569 4.332 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000024023090 556116938 /nfs/dbraw/zinc/11/69/38/556116938.db2.gz LMNUUYBUYSLUCD-VWLOTQADSA-N 1 1 496.007 4.324 50 0 JIAAMO C[N@@H+](CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C1C2CC3CC(C2)CC1C3 ZINC000024657602 556144287 /nfs/dbraw/zinc/14/42/87/556144287.db2.gz HKAWPGAGCLVEDK-UHFFFAOYSA-N 1 1 457.618 4.476 50 0 JIAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936060 556150791 /nfs/dbraw/zinc/15/07/91/556150791.db2.gz TXPHPHRFTGPCKV-UHFFFAOYSA-N 1 1 471.321 4.322 50 0 JIAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936060 556150792 /nfs/dbraw/zinc/15/07/92/556150792.db2.gz TXPHPHRFTGPCKV-UHFFFAOYSA-N 1 1 471.321 4.322 50 0 JIAAMO C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891087 556172034 /nfs/dbraw/zinc/17/20/34/556172034.db2.gz DAKZOQRZAHWKLX-OSPHWJPCSA-N 1 1 467.566 4.298 50 0 JIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1OC ZINC000017058595 556214743 /nfs/dbraw/zinc/21/47/43/556214743.db2.gz WSJUCSXIMJRREC-CALCHBBNSA-N 1 1 467.566 4.263 50 0 JIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1OC ZINC000017058595 556214745 /nfs/dbraw/zinc/21/47/45/556214745.db2.gz WSJUCSXIMJRREC-CALCHBBNSA-N 1 1 467.566 4.263 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000017296939 556252093 /nfs/dbraw/zinc/25/20/93/556252093.db2.gz AGWAFVNEXPDFHA-RUZDIDTESA-N 1 1 496.007 4.324 50 0 JIAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000027542539 556294592 /nfs/dbraw/zinc/29/45/92/556294592.db2.gz FCKMVSVWFOELGM-MRXNPFEDSA-N 1 1 455.908 4.382 50 0 JIAAMO COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000013115603 556322754 /nfs/dbraw/zinc/32/27/54/556322754.db2.gz FETDKOZRGZVNHU-UHFFFAOYSA-N 1 1 499.611 4.411 50 0 JIAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000013115964 556323389 /nfs/dbraw/zinc/32/33/89/556323389.db2.gz UYCKRJNXEHALTB-KGVIQGDOSA-N 1 1 494.057 4.167 50 0 JIAAMO CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000019301115 556339462 /nfs/dbraw/zinc/33/94/62/556339462.db2.gz RKOXLZUFPISXEZ-HXUWFJFHSA-N 1 1 484.666 4.112 50 0 JIAAMO COC(=O)c1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000019312330 556339861 /nfs/dbraw/zinc/33/98/61/556339861.db2.gz FDIBHDXOTQQTTN-JOCHJYFZSA-N 1 1 467.591 4.334 50 0 JIAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)CCc2scnc2C)Cc2ccccc2O1 ZINC000019739605 556363533 /nfs/dbraw/zinc/36/35/33/556363533.db2.gz QOIIHACOYAGAIS-HSZRJFAPSA-N 1 1 451.592 4.145 50 0 JIAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)CCc2scnc2C)Cc2ccccc2O1 ZINC000019739605 556363537 /nfs/dbraw/zinc/36/35/37/556363537.db2.gz QOIIHACOYAGAIS-HSZRJFAPSA-N 1 1 451.592 4.145 50 0 JIAAMO COc1ccc(CNC(=O)CC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1OC ZINC000019743161 556365222 /nfs/dbraw/zinc/36/52/22/556365222.db2.gz WNEYHYXCLMQDLH-SANMLTNESA-N 1 1 464.537 4.485 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccccc3)CC2)ccc1C ZINC000008684415 562952047 /nfs/dbraw/zinc/95/20/47/562952047.db2.gz JDDOFJFMUWAPCW-FQEVSTJZSA-N 1 1 455.624 4.142 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccccc3)CC2)ccc1C ZINC000008684415 562952048 /nfs/dbraw/zinc/95/20/48/562952048.db2.gz JDDOFJFMUWAPCW-FQEVSTJZSA-N 1 1 455.624 4.142 50 0 JIAAMO O=C(c1ccccn1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055036859 569590536 /nfs/dbraw/zinc/59/05/36/569590536.db2.gz AQKNKDPDKJXNIW-XMMPIXPASA-N 1 1 488.607 4.474 50 0 JIAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2C1 ZINC000056928523 569592462 /nfs/dbraw/zinc/59/24/62/569592462.db2.gz XMZCAMSBZJBXAC-UHFFFAOYSA-N 1 1 476.668 4.117 50 0 JIAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2C1 ZINC000056928523 569592463 /nfs/dbraw/zinc/59/24/63/569592463.db2.gz XMZCAMSBZJBXAC-UHFFFAOYSA-N 1 1 476.668 4.117 50 0 JIAAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000057015886 569593896 /nfs/dbraw/zinc/59/38/96/569593896.db2.gz JZSLTYFERHGGKP-KBMIEXCESA-N 1 1 465.619 4.447 50 0 JIAAMO CCCOc1c(Br)cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1OC ZINC000032967415 569603420 /nfs/dbraw/zinc/60/34/20/569603420.db2.gz MSFXIPRCAUBBSP-UHFFFAOYSA-N 1 1 469.420 4.011 50 0 JIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059485916 569605254 /nfs/dbraw/zinc/60/52/54/569605254.db2.gz ZENSQUXNPDFMBE-DARZMLDPSA-N 1 1 493.563 4.018 50 0 biogenic JIAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1cc(C)nn1C ZINC000064061416 569616149 /nfs/dbraw/zinc/61/61/49/569616149.db2.gz VQXBZDYCMIPRNY-UHFFFAOYSA-N 1 1 463.563 4.009 50 0 JIAAMO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+]4CCN(c5cccc(C)c5)[C@H](C)C4)CC3)nc2c1 ZINC000033070888 569621534 /nfs/dbraw/zinc/62/15/34/569621534.db2.gz IIZTXPFLRFFTJM-HSZRJFAPSA-N 1 1 488.680 4.113 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+]4CCN(c5cccc(C)c5)[C@H](C)C4)CC3)[nH]c2c1 ZINC000033070888 569621535 /nfs/dbraw/zinc/62/15/35/569621535.db2.gz IIZTXPFLRFFTJM-HSZRJFAPSA-N 1 1 488.680 4.113 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@H+]4CCN(c5cccc(C)c5)[C@H](C)C4)CC3)[nH]c2c1 ZINC000033070888 569621537 /nfs/dbraw/zinc/62/15/37/569621537.db2.gz IIZTXPFLRFFTJM-HSZRJFAPSA-N 1 1 488.680 4.113 50 0 JIAAMO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)[nH+]1 ZINC000033326845 569624010 /nfs/dbraw/zinc/62/40/10/569624010.db2.gz RGYQDZCWQOCTCI-UHFFFAOYSA-N 1 1 451.474 4.414 50 0 JIAAMO C[NH+]1CCN(C(=O)Cc2ccc(N(Cc3cccc(F)c3)C(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000034675535 569641066 /nfs/dbraw/zinc/64/10/66/569641066.db2.gz GESOHSMMNHORKN-NTCAYCPXSA-N 1 1 471.576 4.389 50 0 JIAAMO COc1cccc(C[NH+]2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cn3)CC2)c1OC ZINC000034681548 569643374 /nfs/dbraw/zinc/64/33/74/569643374.db2.gz QTTOQXCTAJSAPH-SDNWHVSQSA-N 1 1 458.562 4.073 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787710 569659734 /nfs/dbraw/zinc/65/97/34/569659734.db2.gz OPJFZDXEUSCQSE-MHZLTWQESA-N 1 1 473.642 4.297 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787710 569659736 /nfs/dbraw/zinc/65/97/36/569659736.db2.gz OPJFZDXEUSCQSE-MHZLTWQESA-N 1 1 473.642 4.297 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034787703 569659818 /nfs/dbraw/zinc/65/98/18/569659818.db2.gz MGEJPDOAGOUSFL-VWLOTQADSA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034787703 569659819 /nfs/dbraw/zinc/65/98/19/569659819.db2.gz MGEJPDOAGOUSFL-VWLOTQADSA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000034787900 569659996 /nfs/dbraw/zinc/65/99/96/569659996.db2.gz NMGLOCWAKWBJBV-XMMPIXPASA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000034787900 569659998 /nfs/dbraw/zinc/65/99/98/569659998.db2.gz NMGLOCWAKWBJBV-XMMPIXPASA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@H](C)C2)cc1 ZINC000034829758 569663336 /nfs/dbraw/zinc/66/33/36/569663336.db2.gz XXMPFRCLWKGSSW-FQRUVTKNSA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@H](C)C2)cc1 ZINC000034829758 569663337 /nfs/dbraw/zinc/66/33/37/569663337.db2.gz XXMPFRCLWKGSSW-FQRUVTKNSA-N 1 1 465.663 4.254 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000034829934 569663691 /nfs/dbraw/zinc/66/36/91/569663691.db2.gz IINYFWUSOHKGKV-IBVKSMDESA-N 1 1 480.678 4.271 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000034829934 569663692 /nfs/dbraw/zinc/66/36/92/569663692.db2.gz IINYFWUSOHKGKV-IBVKSMDESA-N 1 1 480.678 4.271 50 0 JIAAMO CCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919583 569672137 /nfs/dbraw/zinc/67/21/37/569672137.db2.gz BVFHVDOWGSVINA-DEOSSOPVSA-N 1 1 498.693 4.313 50 0 JIAAMO COc1cccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928029 569673292 /nfs/dbraw/zinc/67/32/92/569673292.db2.gz FQVPMCRTEFWZQU-URLMMPGGSA-N 1 1 495.623 4.483 50 0 JIAAMO COc1cc(C)c(S(=O)(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000065565201 569675938 /nfs/dbraw/zinc/67/59/38/569675938.db2.gz QYXFRPSRVWZSLS-UHFFFAOYSA-N 1 1 486.556 4.316 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000065614802 569676227 /nfs/dbraw/zinc/67/62/27/569676227.db2.gz GILHVMIGUFZSDE-QFIPXVFZSA-N 1 1 458.002 4.110 50 0 JIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN([C@H](C(=O)OC)c3ccc(F)cc3)CC2)n1 ZINC000035292596 569679651 /nfs/dbraw/zinc/67/96/51/569679651.db2.gz JWAPOOSMCPGTHZ-QHCPKHFHSA-N 1 1 499.656 4.325 50 0 JIAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21 ZINC000035374674 569684235 /nfs/dbraw/zinc/68/42/35/569684235.db2.gz HCYSFJZVTUJFJS-FKPFRUIKSA-N 1 1 495.554 4.403 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)c1 ZINC000070006764 569694634 /nfs/dbraw/zinc/69/46/34/569694634.db2.gz LKBHMWKUYPACOG-HXUWFJFHSA-N 1 1 471.623 4.023 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)c1 ZINC000070006764 569694635 /nfs/dbraw/zinc/69/46/35/569694635.db2.gz LKBHMWKUYPACOG-HXUWFJFHSA-N 1 1 471.623 4.023 50 0 JIAAMO C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)cc2F)CC1 ZINC000070037696 569695163 /nfs/dbraw/zinc/69/51/63/569695163.db2.gz VZTQCEZKTYBIKQ-UHFFFAOYSA-N 1 1 453.562 4.238 50 0 JIAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000072280739 569701741 /nfs/dbraw/zinc/70/17/41/569701741.db2.gz HTCKRNNKXHSQIM-UHFFFAOYSA-N 1 1 496.608 4.113 50 0 JIAAMO O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079192196 569707179 /nfs/dbraw/zinc/70/71/79/569707179.db2.gz POTLDTABZYOECK-GBXCKJPGSA-N 1 1 464.537 4.359 50 0 biogenic JIAAMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000084536009 569709441 /nfs/dbraw/zinc/70/94/41/569709441.db2.gz ZSMVJRBPOUOLDJ-YADHBBJMSA-N 1 1 485.575 4.311 50 0 JIAAMO COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc1OC ZINC000085875976 569715873 /nfs/dbraw/zinc/71/58/73/569715873.db2.gz YDMXEXBMDNXHJE-WEEWSOIPSA-N 1 1 477.605 4.350 50 0 biogenic JIAAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871483 569718724 /nfs/dbraw/zinc/71/87/24/569718724.db2.gz ZCKXFIHMXDKWNO-LADGPHEKSA-N 1 1 472.555 4.065 50 0 JIAAMO Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)Cc3ccccc3)no2)c(C)c1 ZINC000095549661 569727412 /nfs/dbraw/zinc/72/74/12/569727412.db2.gz UKZRBOLJYYBULP-UHFFFAOYSA-N 1 1 474.605 4.073 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043225 569754743 /nfs/dbraw/zinc/75/47/43/569754743.db2.gz AUPRXLSCIZFGGY-XDHUDOTRSA-N 1 1 455.599 4.298 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043225 569754745 /nfs/dbraw/zinc/75/47/45/569754745.db2.gz AUPRXLSCIZFGGY-XDHUDOTRSA-N 1 1 455.599 4.298 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036256839 569758769 /nfs/dbraw/zinc/75/87/69/569758769.db2.gz OVAKCEBGXRURCR-SQJMNOBHSA-N 1 1 489.104 4.037 50 0 JIAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036312933 569760466 /nfs/dbraw/zinc/76/04/66/569760466.db2.gz PNSSIDMAJDDMMN-RUZDIDTESA-N 1 1 479.621 4.358 50 0 JIAAMO CC(C)CC[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H](O)COCC(C)C ZINC000036313424 569760855 /nfs/dbraw/zinc/76/08/55/569760855.db2.gz GTONIBXSVMBYOR-OAQYLSRUSA-N 1 1 477.621 4.199 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000036340927 569764234 /nfs/dbraw/zinc/76/42/34/569764234.db2.gz NLMSDAKMORMKBW-GDLZYMKVSA-N 1 1 482.628 4.499 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036341519 569764678 /nfs/dbraw/zinc/76/46/78/569764678.db2.gz RXDDJLNKXXMZKI-NDEPHWFRSA-N 1 1 486.591 4.330 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341805 569764854 /nfs/dbraw/zinc/76/48/54/569764854.db2.gz MFMRSHMEAYRJGT-GCJKJVERSA-N 1 1 497.979 4.022 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341805 569764856 /nfs/dbraw/zinc/76/48/56/569764856.db2.gz MFMRSHMEAYRJGT-GCJKJVERSA-N 1 1 497.979 4.022 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341806 569764935 /nfs/dbraw/zinc/76/49/35/569764935.db2.gz MFMRSHMEAYRJGT-AVRDEDQJSA-N 1 1 497.979 4.022 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000036341806 569764936 /nfs/dbraw/zinc/76/49/36/569764936.db2.gz MFMRSHMEAYRJGT-AVRDEDQJSA-N 1 1 497.979 4.022 50 0 JIAAMO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342576 569765904 /nfs/dbraw/zinc/76/59/04/569765904.db2.gz MYCQBRLEIDXAGG-SANMLTNESA-N 1 1 477.605 4.219 50 0 JIAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)c3c(C)noc3n2)cc1 ZINC000036614243 569778210 /nfs/dbraw/zinc/77/82/10/569778210.db2.gz GBYCVZAONDOEPJ-UHFFFAOYSA-N 1 1 456.546 4.473 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000101204853 569787077 /nfs/dbraw/zinc/78/70/77/569787077.db2.gz IOWYQQPKKPAEHG-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000101204853 569787078 /nfs/dbraw/zinc/78/70/78/569787078.db2.gz IOWYQQPKKPAEHG-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000037523680 569792825 /nfs/dbraw/zinc/79/28/25/569792825.db2.gz YMUBPHOVVWBRNV-NFBKMPQASA-N 1 1 482.518 4.182 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4CCC([NH+]5CCCCC5)CC4)c3=O)c2c1 ZINC000101497593 569800867 /nfs/dbraw/zinc/80/08/67/569800867.db2.gz JCBKXEWYUGETDV-UHFFFAOYSA-N 1 1 497.665 4.196 50 0 JIAAMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NS(=O)(=O)c3ccccc3F)cc1)CC2 ZINC000039982985 569812862 /nfs/dbraw/zinc/81/28/62/569812862.db2.gz HEKJBVFFVXILLF-UHFFFAOYSA-N 1 1 470.566 4.245 50 0 JIAAMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NS(=O)(=O)c3ccccc3F)cc1)CC2 ZINC000039982985 569812863 /nfs/dbraw/zinc/81/28/63/569812863.db2.gz HEKJBVFFVXILLF-UHFFFAOYSA-N 1 1 470.566 4.245 50 0 JIAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C[C@H](C)O1 ZINC000040047015 569814859 /nfs/dbraw/zinc/81/48/59/569814859.db2.gz VRPQNMHDIQJYJB-KBPBESRZSA-N 1 1 458.912 4.162 50 0 JIAAMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000040142744 569817720 /nfs/dbraw/zinc/81/77/20/569817720.db2.gz YEYSFRPVYVFLHY-HSZRJFAPSA-N 1 1 453.652 4.190 50 0 JIAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000103027682 569831989 /nfs/dbraw/zinc/83/19/89/569831989.db2.gz CYRHMXCKSGVZIU-IDISGSTGSA-N 1 1 455.583 4.413 50 0 JIAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000103027682 569831990 /nfs/dbraw/zinc/83/19/90/569831990.db2.gz CYRHMXCKSGVZIU-IDISGSTGSA-N 1 1 455.583 4.413 50 0 JIAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983764 569848144 /nfs/dbraw/zinc/84/81/44/569848144.db2.gz XXXNFWGBJHDODV-NHCUHLMSSA-N 1 1 474.985 4.097 50 0 JIAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983764 569848145 /nfs/dbraw/zinc/84/81/45/569848145.db2.gz XXXNFWGBJHDODV-NHCUHLMSSA-N 1 1 474.985 4.097 50 0 JIAAMO COc1ccccc1Oc1c(C[N@H+](C[C@H](C)O)C[C@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000105001644 569849012 /nfs/dbraw/zinc/84/90/12/569849012.db2.gz HCRMTLFSRKKSKQ-SIKLNZKXSA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](C)O)C[C@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000105001644 569849013 /nfs/dbraw/zinc/84/90/13/569849013.db2.gz HCRMTLFSRKKSKQ-SIKLNZKXSA-N 1 1 451.567 4.343 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010150 569850572 /nfs/dbraw/zinc/85/05/72/569850572.db2.gz DTCGMNNVVIKUBA-SQJMNOBHSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010150 569850573 /nfs/dbraw/zinc/85/05/73/569850573.db2.gz DTCGMNNVVIKUBA-SQJMNOBHSA-N 1 1 465.569 4.395 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@@H](C)C1 ZINC000105059677 569852642 /nfs/dbraw/zinc/85/26/42/569852642.db2.gz AMAKCKIIEHOEBB-FNZWTVRRSA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@@H](C)C1 ZINC000105059677 569852643 /nfs/dbraw/zinc/85/26/43/569852643.db2.gz AMAKCKIIEHOEBB-FNZWTVRRSA-N 1 1 465.663 4.254 50 0 JIAAMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000107345265 569856379 /nfs/dbraw/zinc/85/63/79/569856379.db2.gz ZSMVJRBPOUOLDJ-VXKWHMMOSA-N 1 1 485.575 4.311 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)CC(C)C)[C@@H](C)C1 ZINC000107385947 569856480 /nfs/dbraw/zinc/85/64/80/569856480.db2.gz NJAWSBSUFJETEB-IDISGSTGSA-N 1 1 467.679 4.500 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000169677934 569868994 /nfs/dbraw/zinc/86/89/94/569868994.db2.gz WPNRCYREFWSVRD-ZJSXRUAMSA-N 1 1 492.657 4.138 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@@H]2CC(c3ccccc3F)=NO2)c1 ZINC000169679130 569869542 /nfs/dbraw/zinc/86/95/42/569869542.db2.gz VPLMZDWUGMYPLQ-OFNKIYASSA-N 1 1 468.525 4.000 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679791 569869896 /nfs/dbraw/zinc/86/98/96/569869896.db2.gz IMKSQKYNHQRJTC-ZJSXRUAMSA-N 1 1 498.645 4.054 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169680162 569870180 /nfs/dbraw/zinc/87/01/80/569870180.db2.gz XWEAHPLEMPWKGF-RCZVLFRGSA-N 1 1 488.694 4.307 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 ZINC000169773554 569872445 /nfs/dbraw/zinc/87/24/45/569872445.db2.gz PRUGRARUEHCLGD-SVBPBHIXSA-N 1 1 493.648 4.169 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@H]1c1cccs1 ZINC000245228604 570055782 /nfs/dbraw/zinc/05/57/82/570055782.db2.gz WGMHWVUUOFANCR-QPNVDGBVSA-N 1 1 483.678 4.444 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245279911 570061653 /nfs/dbraw/zinc/06/16/53/570061653.db2.gz JMWGEZRDULPJMT-LADGPHEKSA-N 1 1 483.584 4.397 50 0 JIAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000245279901 570061661 /nfs/dbraw/zinc/06/16/61/570061661.db2.gz JLIPPFYTAUXHIZ-ZJSXRUAMSA-N 1 1 474.667 4.061 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245280462 570061848 /nfs/dbraw/zinc/06/18/48/570061848.db2.gz RLCULUKWQZYZLP-UKILVPOCSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245280462 570061849 /nfs/dbraw/zinc/06/18/49/570061849.db2.gz RLCULUKWQZYZLP-UKILVPOCSA-N 1 1 483.584 4.491 50 0 JIAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4nccs4)C3)nc3ccccc32)cc1 ZINC000247905756 570071039 /nfs/dbraw/zinc/07/10/39/570071039.db2.gz SCQVSSMPNJJZRN-LJQANCHMSA-N 1 1 461.591 4.400 50 0 JIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4nccs4)C3)nc3ccccc32)cc1 ZINC000247905756 570071040 /nfs/dbraw/zinc/07/10/40/570071040.db2.gz SCQVSSMPNJJZRN-LJQANCHMSA-N 1 1 461.591 4.400 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000248012519 570072657 /nfs/dbraw/zinc/07/26/57/570072657.db2.gz RNIKUFXIFQMKCP-FQEVSTJZSA-N 1 1 481.591 4.456 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1 ZINC000248092760 570073920 /nfs/dbraw/zinc/07/39/20/570073920.db2.gz VYXATZLESLLURP-SFHVURJKSA-N 1 1 486.447 4.441 50 0 JIAAMO Cn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000248092980 570073950 /nfs/dbraw/zinc/07/39/50/570073950.db2.gz WIDPLYJGKSJEHO-UHFFFAOYSA-N 1 1 485.554 4.153 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)[C@H]1c1cccs1 ZINC000248119378 570074510 /nfs/dbraw/zinc/07/45/10/570074510.db2.gz UQHJUNQSIMWCEZ-VEXUSMLFSA-N 1 1 469.651 4.056 50 0 JIAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)cc1 ZINC000248127345 570074860 /nfs/dbraw/zinc/07/48/60/570074860.db2.gz VNZIMAHVPWHOSB-UHFFFAOYSA-N 1 1 459.638 4.486 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248339957 570078120 /nfs/dbraw/zinc/07/81/20/570078120.db2.gz UGKUDNJFAPISPO-XMODTWTHSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000252517903 570082883 /nfs/dbraw/zinc/08/28/83/570082883.db2.gz USLXYLBZAWHKFL-YWYGCRHHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252517903 570082885 /nfs/dbraw/zinc/08/28/85/570082885.db2.gz USLXYLBZAWHKFL-YWYGCRHHSA-N 1 1 490.774 4.386 50 0 JIAAMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@H](C)CC[C@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000253388622 570095510 /nfs/dbraw/zinc/09/55/10/570095510.db2.gz LCJGVSFMDQXVDC-LKEHYZNDSA-N 1 1 471.682 4.457 50 0 JIAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)cc1 ZINC000299758128 570174377 /nfs/dbraw/zinc/17/43/77/570174377.db2.gz CWEQLQARZRBCCW-VWLOTQADSA-N 1 1 483.616 4.335 50 0 JIAAMO O=C(NCc1cccnc1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000299763354 570174842 /nfs/dbraw/zinc/17/48/42/570174842.db2.gz UUHKHIBCLDXSFS-YADHBBJMSA-N 1 1 465.550 4.001 50 0 JIAAMO O=C(NCc1cccnc1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000299763354 570174844 /nfs/dbraw/zinc/17/48/44/570174844.db2.gz UUHKHIBCLDXSFS-YADHBBJMSA-N 1 1 465.550 4.001 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 ZINC000004101930 194377967 /nfs/dbraw/zinc/37/79/67/194377967.db2.gz NCRPSOQXGUPGPE-IBGZPJMESA-N 1 1 457.615 4.059 50 0 aggregator JIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009345353 194703320 /nfs/dbraw/zinc/70/33/20/194703320.db2.gz ZNWXLCGDCZSTCI-UIOOFZCWSA-N 1 1 496.523 4.295 50 0 JIAAMO COc1ccc(N(Cc2cccs2)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000009884079 195012529 /nfs/dbraw/zinc/01/25/29/195012529.db2.gz HBYQDGNBKIJMKH-UHFFFAOYSA-N 1 1 479.602 4.346 50 0 JIAAMO COc1ccc(N(Cc2cccs2)C(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000012684055 195085395 /nfs/dbraw/zinc/08/53/95/195085395.db2.gz CPASIKQQQCIEKP-UHFFFAOYSA-N 1 1 469.651 4.405 50 0 JIAAMO Cc1cccc(-c2nnc(SCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2Cc2ccco2)c1 ZINC000012807462 195142560 /nfs/dbraw/zinc/14/25/60/195142560.db2.gz TVELDTOHSAMACG-HSZRJFAPSA-N 1 1 487.629 4.378 50 0 JIAAMO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020914633 195246086 /nfs/dbraw/zinc/24/60/86/195246086.db2.gz PASQWJBVSAROBS-HXUWFJFHSA-N 1 1 461.488 4.075 50 0 JIAAMO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020914633 195246088 /nfs/dbraw/zinc/24/60/88/195246088.db2.gz PASQWJBVSAROBS-HXUWFJFHSA-N 1 1 461.488 4.075 50 0 JIAAMO C[N@@H+](CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)Cc1ccccc1 ZINC000020977950 195258516 /nfs/dbraw/zinc/25/85/16/195258516.db2.gz OJRYEGARCSSKHR-UHFFFAOYSA-N 1 1 459.515 4.222 50 0 JIAAMO Cc1cc2c(cc1S(=O)(=O)NCC[N@@H+](Cc1ccco1)C1CCCC1)[nH]c1c2C(=O)CCC1 ZINC000020990336 195262246 /nfs/dbraw/zinc/26/22/46/195262246.db2.gz JKSRTQXGKMIYBI-UHFFFAOYSA-N 1 1 469.607 4.311 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021159416 195286157 /nfs/dbraw/zinc/28/61/57/195286157.db2.gz REOASZAHPNDXTB-DEOSSOPVSA-N 1 1 459.638 4.210 50 0 JIAAMO O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057487292 195344942 /nfs/dbraw/zinc/34/49/42/195344942.db2.gz YNUBQSHTVAOMOW-UHFFFAOYSA-N 1 1 461.953 4.203 50 0 JIAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000058144977 195366896 /nfs/dbraw/zinc/36/68/96/195366896.db2.gz REOLFDWVLFLRTR-GOSISDBHSA-N 1 1 452.986 4.044 50 0 JIAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000058144977 195366899 /nfs/dbraw/zinc/36/68/99/195366899.db2.gz REOLFDWVLFLRTR-GOSISDBHSA-N 1 1 452.986 4.044 50 0 JIAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12c1ccccc1NC2=O ZINC000064164489 195434296 /nfs/dbraw/zinc/43/42/96/195434296.db2.gz MERVUSSRRGAVCO-GCDSYTDFSA-N 1 1 477.564 4.264 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302738 520152846 /nfs/dbraw/zinc/15/28/46/520152846.db2.gz LMQMZBMJNUXHPT-JOCHJYFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302738 520152854 /nfs/dbraw/zinc/15/28/54/520152854.db2.gz LMQMZBMJNUXHPT-JOCHJYFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000036121624 520510582 /nfs/dbraw/zinc/51/05/82/520510582.db2.gz LZKPPLWELVQRAT-BVAGGSTKSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000036121624 520510594 /nfs/dbraw/zinc/51/05/94/520510594.db2.gz LZKPPLWELVQRAT-BVAGGSTKSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000036121624 520510605 /nfs/dbraw/zinc/51/06/05/520510605.db2.gz LZKPPLWELVQRAT-BVAGGSTKSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000036121624 520510612 /nfs/dbraw/zinc/51/06/12/520510612.db2.gz LZKPPLWELVQRAT-BVAGGSTKSA-N 1 1 493.604 4.240 50 0 JIAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2CC[N@@H+](C)C2CCCCC2)CC1 ZINC000021811120 520951087 /nfs/dbraw/zinc/95/10/87/520951087.db2.gz APNNXSUTEHSYRX-IRQSHYTFSA-N 1 1 468.642 4.408 50 0 JIAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000021811104 520951219 /nfs/dbraw/zinc/95/12/19/520951219.db2.gz IFKGYTUXZYXLRX-SVNFYYFLSA-N 1 1 468.642 4.408 50 0 JIAAMO CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068981 521292813 /nfs/dbraw/zinc/29/28/13/521292813.db2.gz MGKZLSFTEFHAPW-UHFFFAOYSA-N 1 1 465.575 4.471 50 0 JIAAMO CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068981 521292815 /nfs/dbraw/zinc/29/28/15/521292815.db2.gz MGKZLSFTEFHAPW-UHFFFAOYSA-N 1 1 465.575 4.471 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065010988 521640851 /nfs/dbraw/zinc/64/08/51/521640851.db2.gz GQZFNIGMPPPPPU-HXUWFJFHSA-N 1 1 475.655 4.137 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3-n3cccc3)cc2)CC1 ZINC000020416002 521687637 /nfs/dbraw/zinc/68/76/37/521687637.db2.gz OJVHRJLEYSSNPR-UHFFFAOYSA-N 1 1 468.605 4.361 50 0 JIAAMO CC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000020416976 521838217 /nfs/dbraw/zinc/83/82/17/521838217.db2.gz LIIPXLIZLLQWME-DFIYOIEZSA-N 1 1 477.653 4.239 50 0 JIAAMO CC[C@@H](C(=O)NCCCN1CC[NH+](CCCNC(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1 ZINC000022751111 521838322 /nfs/dbraw/zinc/83/83/22/521838322.db2.gz MUXHSGCCCVGNQG-HNRBIFIRSA-N 1 1 492.708 4.004 50 0 JIAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000021810694 522746542 /nfs/dbraw/zinc/74/65/42/522746542.db2.gz YHZKPVCKVLAQME-MUUNZHRXSA-N 1 1 476.621 4.420 50 0 JIAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(C)=O)cc2c(OC)c1OC ZINC000012328575 523066285 /nfs/dbraw/zinc/06/62/85/523066285.db2.gz LHCBWBNENVANLY-UHFFFAOYSA-N 1 1 455.530 4.057 50 0 JIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000014997820 523122023 /nfs/dbraw/zinc/12/20/23/523122023.db2.gz BCWUIJQQPBYEEE-XUZZJYLKSA-N 1 1 474.020 4.445 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000014997820 523122034 /nfs/dbraw/zinc/12/20/34/523122034.db2.gz BCWUIJQQPBYEEE-XUZZJYLKSA-N 1 1 474.020 4.445 50 0 JIAAMO CC[C@H]1C[N@@H+](CCC(=O)NCc2csc(-c3ccccc3)n2)Cc2cc(OC)ccc2O1 ZINC000014961935 523277486 /nfs/dbraw/zinc/27/74/86/523277486.db2.gz XKLZFNYNIZFAGB-NRFANRHFSA-N 1 1 451.592 4.498 50 0 JIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COCC(C)C)C2)cc1 ZINC000036146219 523881367 /nfs/dbraw/zinc/88/13/67/523881367.db2.gz PIDGJQBVZXRASR-UPVQGACJSA-N 1 1 461.002 4.377 50 0 JIAAMO CN(C)C(=O)C1CC[NH+](Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)CC1 ZINC000016695753 523971378 /nfs/dbraw/zinc/97/13/78/523971378.db2.gz OVEZFLQJIYNJAT-QHCPKHFHSA-N 1 1 459.384 4.357 50 0 JIAAMO COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c2)cc1 ZINC000012525911 524691643 /nfs/dbraw/zinc/69/16/43/524691643.db2.gz VAJRONOMHLMBNN-XMMPIXPASA-N 1 1 497.617 4.354 50 0 JIAAMO Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033031713 525317748 /nfs/dbraw/zinc/31/77/48/525317748.db2.gz NBSJQEVFZGJGQZ-LJQANCHMSA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1c(C[N@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000014975782 525706300 /nfs/dbraw/zinc/70/63/00/525706300.db2.gz NZQDPIJDYJARDT-UHFFFAOYSA-N 1 1 470.621 4.065 50 0 JIAAMO Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)n(C)n1 ZINC000012244087 526227800 /nfs/dbraw/zinc/22/78/00/526227800.db2.gz LRMGKJYUESHAKE-HSZRJFAPSA-N 1 1 483.060 4.019 50 0 JIAAMO O=C(c1csc2c1CCCC2)N1CCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2C1 ZINC000014986912 526908863 /nfs/dbraw/zinc/90/88/63/526908863.db2.gz JZYXXJJBNHBYPK-UHFFFAOYSA-N 1 1 488.657 4.379 50 0 JIAAMO Cc1[nH]c(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)nc1Cc1ccc(O)cc1 ZINC000012372035 527015248 /nfs/dbraw/zinc/01/52/48/527015248.db2.gz VWCFEELCYITNCW-UHFFFAOYSA-N 1 1 480.678 4.220 50 0 JIAAMO O=C1[C@H](Oc2ccc(F)cc2Cl)[C@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048303959 527115287 /nfs/dbraw/zinc/11/52/87/527115287.db2.gz UCWYFZIKBKMUGN-FCHUYYIVSA-N 1 1 468.903 4.201 50 0 JIAAMO O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014959321 527367921 /nfs/dbraw/zinc/36/79/21/527367921.db2.gz FDBSUPQNDGBPJW-UHFFFAOYSA-N 1 1 497.574 4.208 50 0 JIAAMO Cc1[nH+]ccn1CCC(=O)N1CCc2c(cc(-c3ccccc3Cl)c(=O)n2Cc2ccncc2)C1 ZINC000014743604 527393053 /nfs/dbraw/zinc/39/30/53/527393053.db2.gz YUTAKQLZZRXMEU-UHFFFAOYSA-N 1 1 487.991 4.092 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2[C@@H](C)COC)CC1 ZINC000096289353 535643859 /nfs/dbraw/zinc/64/38/59/535643859.db2.gz PERKARDDYWQFSZ-NRFANRHFSA-N 1 1 493.677 4.146 50 0 JIAAMO CO[C@@]12CC[C@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000002004721 554008769 /nfs/dbraw/zinc/00/87/69/554008769.db2.gz RMRJXGBAOAMLHD-DKESKJCNSA-N 1 1 467.650 4.414 50 0 in-vitro JIAAMO O=C(c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002777763 554340382 /nfs/dbraw/zinc/34/03/82/554340382.db2.gz MDMPKJPKACCAGT-KRWDZBQOSA-N 1 1 465.479 4.489 50 0 JIAAMO O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000008444801 554594419 /nfs/dbraw/zinc/59/44/19/554594419.db2.gz OIHDSMHPHPZZFH-CQSZACIVSA-N 1 1 494.315 4.098 50 0 JIAAMO Cc1c(O)ccc2c(C)c(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c(=O)oc12 ZINC000008879804 554775406 /nfs/dbraw/zinc/77/54/06/554775406.db2.gz JSTREGLAPOVMCR-XOKJFZFGSA-N 1 1 462.590 4.080 50 0 biogenic JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008880913 554776271 /nfs/dbraw/zinc/77/62/71/554776271.db2.gz MUEXEYCFZBAWOB-UHFFFAOYSA-N 1 1 493.560 4.136 50 0 JIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)cc(Br)c1O ZINC000008928001 554825649 /nfs/dbraw/zinc/82/56/49/554825649.db2.gz ZDTBBIMTJUUQLL-QGZVFWFLSA-N 1 1 452.374 4.422 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933076 554826626 /nfs/dbraw/zinc/82/66/26/554826626.db2.gz MMSUPAUXFUREDL-QHCPKHFHSA-N 1 1 485.632 4.170 50 0 JIAAMO O=C(c1ccc(C[S@](=O)c2ccc(Br)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009115569 554902365 /nfs/dbraw/zinc/90/23/65/554902365.db2.gz XMIFLNOIWIZEJP-GDLZYMKVSA-N 1 1 479.440 4.440 50 0 JIAAMO COc1cccc([C@@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)[NH+]2CCCC2)c1 ZINC000009130687 554930648 /nfs/dbraw/zinc/93/06/48/554930648.db2.gz HQHMHPCIJQYBTQ-OAQYLSRUSA-N 1 1 464.957 4.020 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)[C@@H](CC)n1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000009251488 555025419 /nfs/dbraw/zinc/02/54/19/555025419.db2.gz UUWVEWGVCGHKCK-AUSIDOKSSA-N 1 1 465.642 4.458 50 0 JIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009345351 555111415 /nfs/dbraw/zinc/11/14/15/555111415.db2.gz ZNWXLCGDCZSTCI-IZZNHLLZSA-N 1 1 496.523 4.295 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000009593820 555409334 /nfs/dbraw/zinc/40/93/34/555409334.db2.gz YAQDNKXQXAVTPO-UHFFFAOYSA-N 1 1 450.583 4.062 50 0 JIAAMO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)o1 ZINC000009731598 555468748 /nfs/dbraw/zinc/46/87/48/555468748.db2.gz UFRSEAJWQFJLGK-UHFFFAOYSA-N 1 1 454.592 4.202 50 0 JIAAMO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)o1 ZINC000009731598 555468750 /nfs/dbraw/zinc/46/87/50/555468750.db2.gz UFRSEAJWQFJLGK-UHFFFAOYSA-N 1 1 454.592 4.202 50 0 JIAAMO O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@H+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2 ZINC000019838122 555507741 /nfs/dbraw/zinc/50/77/41/555507741.db2.gz MAWVZWQZCZNJDP-UHFFFAOYSA-N 1 1 493.970 4.248 50 0 JIAAMO COc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1cccs1 ZINC000020107764 555641806 /nfs/dbraw/zinc/64/18/06/555641806.db2.gz DSSOXOKMEOMBTQ-UHFFFAOYSA-N 1 1 453.077 4.247 50 0 JIAAMO COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000020289741 555761246 /nfs/dbraw/zinc/76/12/46/555761246.db2.gz RJMSJXSVHYFSBW-CLOONOSVSA-N 1 1 465.619 4.447 50 0 JIAAMO O=C(COCc1cc(-c2ccco2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020531686 555799431 /nfs/dbraw/zinc/79/94/31/555799431.db2.gz JTNCSWOZTOETRL-UHFFFAOYSA-N 1 1 457.530 4.385 50 0 JIAAMO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3nccs3)CC2)N1CCc1ccccc1 ZINC000014536244 555825478 /nfs/dbraw/zinc/82/54/78/555825478.db2.gz BNVUYBNCLYWDPX-UHFFFAOYSA-N 1 1 460.603 4.185 50 0 JIAAMO COc1cc(C)c(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1C ZINC000011838834 555832122 /nfs/dbraw/zinc/83/21/22/555832122.db2.gz NTHZFBFGZUSJAG-HSZRJFAPSA-N 1 1 450.627 4.048 50 0 JIAAMO C[C@@]1(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011908905 555855582 /nfs/dbraw/zinc/85/55/82/555855582.db2.gz DRUCGJYLGYRFGU-VWLOTQADSA-N 1 1 455.961 4.169 50 0 JIAAMO COc1cccc(C[C@@H](C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[N@@H+](C)Cc2ccccn2)c1 ZINC000011981117 555876547 /nfs/dbraw/zinc/87/65/47/555876547.db2.gz GQARTBAGNUITFQ-SANMLTNESA-N 1 1 487.600 4.414 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)Cc3nonc3C)[N@@H+](Cc3cc(C)ccc3C)C2)cc1 ZINC000012041764 555894380 /nfs/dbraw/zinc/89/43/80/555894380.db2.gz VFICUAGEXNPMKX-NOZRDPDXSA-N 1 1 480.634 4.397 50 0 JIAAMO O=C(c1cc(C(c2ccccc2)c2ccccc2)no1)N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000012054308 555897915 /nfs/dbraw/zinc/89/79/15/555897915.db2.gz MQWAABLTBTVDSX-NRFANRHFSA-N 1 1 459.590 4.164 50 0 JIAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2)C(C)C ZINC000012132855 555912297 /nfs/dbraw/zinc/91/22/97/555912297.db2.gz RADLQFIFSDMRQZ-SANMLTNESA-N 1 1 460.626 4.328 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC000012140898 555920090 /nfs/dbraw/zinc/92/00/90/555920090.db2.gz KZIFSEJMBNIOQB-UHFFFAOYSA-N 1 1 473.664 4.452 50 0 JIAAMO CCC[C@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000012150496 555922822 /nfs/dbraw/zinc/92/28/22/555922822.db2.gz KWYJANOWDKSMFL-WIOPSUGQSA-N 1 1 494.602 4.492 50 0 JIAAMO CCC[C@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000012150496 555922824 /nfs/dbraw/zinc/92/28/24/555922824.db2.gz KWYJANOWDKSMFL-WIOPSUGQSA-N 1 1 494.602 4.492 50 0 JIAAMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726073 555962990 /nfs/dbraw/zinc/96/29/90/555962990.db2.gz XKAAXQQDSOINLU-GOSISDBHSA-N 1 1 466.538 4.003 50 0 JIAAMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726073 555962992 /nfs/dbraw/zinc/96/29/92/555962992.db2.gz XKAAXQQDSOINLU-GOSISDBHSA-N 1 1 466.538 4.003 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)n2)cc1OC ZINC000015726385 555964816 /nfs/dbraw/zinc/96/48/16/555964816.db2.gz PWCWEOVXQFBBEL-IBGZPJMESA-N 1 1 478.593 4.103 50 0 JIAAMO Cc1c(Cl)cccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000015822680 556010760 /nfs/dbraw/zinc/01/07/60/556010760.db2.gz QTYHUADZOPIUME-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 in-vitro JIAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000015868675 556046071 /nfs/dbraw/zinc/04/60/71/556046071.db2.gz MTMURUGASJLJGV-PMACEKPBSA-N 1 1 468.642 4.046 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012591567 556087603 /nfs/dbraw/zinc/08/76/03/556087603.db2.gz SCTFLBFPFHWYDX-RBUKOAKNSA-N 1 1 450.608 4.340 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012591560 556087617 /nfs/dbraw/zinc/08/76/17/556087617.db2.gz SCTFLBFPFHWYDX-RTBURBONSA-N 1 1 450.608 4.340 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000015989290 556101988 /nfs/dbraw/zinc/10/19/88/556101988.db2.gz ZWIHFEGCATXRJI-QUMGSSFMSA-N 1 1 479.536 4.158 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000015989290 556101991 /nfs/dbraw/zinc/10/19/91/556101991.db2.gz ZWIHFEGCATXRJI-QUMGSSFMSA-N 1 1 479.536 4.158 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001461 556106344 /nfs/dbraw/zinc/10/63/44/556106344.db2.gz ICVOBUZHHHQLHR-BQJUDKOJSA-N 1 1 492.597 4.282 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001461 556106346 /nfs/dbraw/zinc/10/63/46/556106346.db2.gz ICVOBUZHHHQLHR-BQJUDKOJSA-N 1 1 492.597 4.282 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016011474 556110604 /nfs/dbraw/zinc/11/06/04/556110604.db2.gz OPHPNPHFPLFZHW-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016011474 556110606 /nfs/dbraw/zinc/11/06/06/556110606.db2.gz OPHPNPHFPLFZHW-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012860608 556119354 /nfs/dbraw/zinc/11/93/54/556119354.db2.gz GGSSOHAHFTZPNA-RJWMVNQGSA-N 1 1 462.631 4.077 50 0 biogenic JIAAMO CCCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012860608 556119356 /nfs/dbraw/zinc/11/93/56/556119356.db2.gz GGSSOHAHFTZPNA-RJWMVNQGSA-N 1 1 462.631 4.077 50 0 biogenic JIAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012915222 556134368 /nfs/dbraw/zinc/13/43/68/556134368.db2.gz LXSKLHDZRYSAGU-QHCPKHFHSA-N 1 1 476.042 4.082 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891237 556172604 /nfs/dbraw/zinc/17/26/04/556172604.db2.gz WUZMFGMSRWJWLQ-CLOONOSVSA-N 1 1 465.619 4.447 50 0 JIAAMO CC[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000025061967 556177381 /nfs/dbraw/zinc/17/73/81/556177381.db2.gz LUEWFYDJRLPDKW-NQIIRXRSSA-N 1 1 458.400 4.367 50 0 JIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OCc4csc(C)n4)cc3)CC2)cc1 ZINC000025082042 556178672 /nfs/dbraw/zinc/17/86/72/556178672.db2.gz CMGFPMFXUZDQJE-UHFFFAOYSA-N 1 1 451.592 4.387 50 0 JIAAMO CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000025662156 556228695 /nfs/dbraw/zinc/22/86/95/556228695.db2.gz SNVGMOYUJDUSMW-MRXNPFEDSA-N 1 1 480.790 4.403 50 0 JIAAMO CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000025662156 556228700 /nfs/dbraw/zinc/22/87/00/556228700.db2.gz SNVGMOYUJDUSMW-MRXNPFEDSA-N 1 1 480.790 4.403 50 0 JIAAMO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000028852457 556342886 /nfs/dbraw/zinc/34/28/86/556342886.db2.gz WPXSTIOBHMCPSA-UHFFFAOYSA-N 1 1 452.338 4.054 50 0 JIAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029218056 556348850 /nfs/dbraw/zinc/34/88/50/556348850.db2.gz VHFZKFQAPGWDEA-RUZDIDTESA-N 1 1 474.070 4.269 50 0 JIAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(-c4ccccc4C)c2)CC3)c(C)o1 ZINC000019781807 556369512 /nfs/dbraw/zinc/36/95/12/556369512.db2.gz VOSCWSGJKYYQIY-UHFFFAOYSA-N 1 1 469.589 4.452 50 0 JIAAMO COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)c1 ZINC000032623114 556453061 /nfs/dbraw/zinc/45/30/61/556453061.db2.gz LLFFXCUIBZJPDT-JOCHJYFZSA-N 1 1 493.560 4.087 50 0 JIAAMO O=C1CSc2sc3c(ncn(C[C@@H](c4ccc(Cl)cc4)[NH+]4CCCCC4)c3=O)c2N1 ZINC000032624532 556454578 /nfs/dbraw/zinc/45/45/78/556454578.db2.gz LPSNMJLOERPWGT-HNNXBMFYSA-N 1 1 461.012 4.383 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008610712 562947584 /nfs/dbraw/zinc/94/75/84/562947584.db2.gz CWIDANQBVKCYPI-UHFFFAOYSA-N 1 1 491.611 4.167 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000059487369 569605264 /nfs/dbraw/zinc/60/52/64/569605264.db2.gz XUAYLDPFWKXAOB-OMICENBGSA-N 1 1 463.537 4.010 50 0 biogenic JIAAMO O=C(c1ccccc1)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000059487379 569605292 /nfs/dbraw/zinc/60/52/92/569605292.db2.gz WLWRWWMRVLYYQB-ATRCONBKSA-N 1 1 483.955 4.355 50 0 biogenic JIAAMO O=C(c1ccccc1)[C@@H]1[C@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000059487379 569605294 /nfs/dbraw/zinc/60/52/94/569605294.db2.gz WLWRWWMRVLYYQB-ATRCONBKSA-N 1 1 483.955 4.355 50 0 biogenic JIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984087 569607259 /nfs/dbraw/zinc/60/72/59/569607259.db2.gz NFFCUPFVJXLCCL-ONUIUJJFSA-N 1 1 453.542 4.237 50 0 JIAAMO COCc1c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1CC1CCCCC1 ZINC000064074236 569616190 /nfs/dbraw/zinc/61/61/90/569616190.db2.gz WPQRUECXYXHMAT-SANMLTNESA-N 1 1 491.676 4.199 50 0 JIAAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccccc5Cl)CC4)c3C2=O)cc1 ZINC000064157654 569616329 /nfs/dbraw/zinc/61/63/29/569616329.db2.gz PSHNYGAHAROCKI-UHFFFAOYSA-N 1 1 475.976 4.467 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cccc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000064198077 569616385 /nfs/dbraw/zinc/61/63/85/569616385.db2.gz XBZFWBUPXLINMY-XCUDZRBYSA-N 1 1 477.564 4.318 50 0 JIAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccnc2)CC1 ZINC000034683976 569644839 /nfs/dbraw/zinc/64/48/39/569644839.db2.gz IYGMWIRTEVIEFN-UHFFFAOYSA-N 1 1 485.993 4.324 50 0 JIAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787665 569659685 /nfs/dbraw/zinc/65/96/85/569659685.db2.gz JPVBMQSHANJFKB-MHZLTWQESA-N 1 1 473.642 4.297 50 0 JIAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787665 569659687 /nfs/dbraw/zinc/65/96/87/569659687.db2.gz JPVBMQSHANJFKB-MHZLTWQESA-N 1 1 473.642 4.297 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000034829594 569663248 /nfs/dbraw/zinc/66/32/48/569663248.db2.gz XXPALVIIUXDTOZ-CLOONOSVSA-N 1 1 453.652 4.191 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000034829594 569663249 /nfs/dbraw/zinc/66/32/49/569663249.db2.gz XXPALVIIUXDTOZ-CLOONOSVSA-N 1 1 453.652 4.191 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@H](C)C1 ZINC000034829815 569663502 /nfs/dbraw/zinc/66/35/02/569663502.db2.gz OYNHLDUYTNIOGN-IBVKSMDESA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@H](C)C1 ZINC000034829815 569663504 /nfs/dbraw/zinc/66/35/04/569663504.db2.gz OYNHLDUYTNIOGN-IBVKSMDESA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000034830385 569663930 /nfs/dbraw/zinc/66/39/30/569663930.db2.gz UDZJUEYWVZNLJR-RDPSFJRHSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2)ccc1F ZINC000035292570 569679744 /nfs/dbraw/zinc/67/97/44/569679744.db2.gz IYNAZFXVIPKPSM-UHFFFAOYSA-N 1 1 499.583 4.422 50 0 JIAAMO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2)ccc1F ZINC000035292570 569679746 /nfs/dbraw/zinc/67/97/46/569679746.db2.gz IYNAZFXVIPKPSM-UHFFFAOYSA-N 1 1 499.583 4.422 50 0 JIAAMO CC[N@@H+](CCNC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1)Cc1ccccc1 ZINC000035398410 569688833 /nfs/dbraw/zinc/68/88/33/569688833.db2.gz UVTYBUPCWBGCQU-UHFFFAOYSA-N 1 1 457.622 4.307 50 0 JIAAMO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000035559332 569703741 /nfs/dbraw/zinc/70/37/41/569703741.db2.gz VWMLBPUFMHYKHC-MHZLTWQESA-N 1 1 497.705 4.444 50 0 JIAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)[nH+]c(C)n2)c1C ZINC000082230441 569708283 /nfs/dbraw/zinc/70/82/83/569708283.db2.gz GVGZIVAOPOBCJB-UHFFFAOYSA-N 1 1 452.562 4.217 50 0 JIAAMO Cc1cccc(-c2nccc(N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)n2)c1 ZINC000085649096 569712277 /nfs/dbraw/zinc/71/22/77/569712277.db2.gz RIQQGQGNQMSIKY-UHFFFAOYSA-N 1 1 455.606 4.013 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035855525 569716983 /nfs/dbraw/zinc/71/69/83/569716983.db2.gz HOXQVKPXIPYTRW-FVJVTNMWSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035855525 569716985 /nfs/dbraw/zinc/71/69/85/569716985.db2.gz HOXQVKPXIPYTRW-FVJVTNMWSA-N 1 1 470.356 4.041 50 0 JIAAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871482 569718721 /nfs/dbraw/zinc/71/87/21/569718721.db2.gz ZCKXFIHMXDKWNO-ISKFKSNPSA-N 1 1 472.555 4.065 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000095100958 569721748 /nfs/dbraw/zinc/72/17/48/569721748.db2.gz IHMYPKRKEWWHOR-XMMPIXPASA-N 1 1 467.997 4.466 50 0 JIAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000095100958 569721750 /nfs/dbraw/zinc/72/17/50/569721750.db2.gz IHMYPKRKEWWHOR-XMMPIXPASA-N 1 1 467.997 4.466 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(COC)n3-c3cccc(Cl)c3)cc2)CC1 ZINC000095925584 569730241 /nfs/dbraw/zinc/73/02/41/569730241.db2.gz USZJOKQVEMMYJC-UHFFFAOYSA-N 1 1 486.041 4.137 50 0 JIAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CCCC[N@H+]1[C@]21c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000100202093 569755214 /nfs/dbraw/zinc/75/52/14/569755214.db2.gz XBBKJXQYCRFCCP-YRIIQKNPSA-N 1 1 495.554 4.242 50 0 JIAAMO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250189 569758183 /nfs/dbraw/zinc/75/81/83/569758183.db2.gz LNLVNOGMUSUONS-GCJKJVERSA-N 1 1 465.560 4.423 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036307757 569759139 /nfs/dbraw/zinc/75/91/39/569759139.db2.gz JMWGEZRDULPJMT-UPVQGACJSA-N 1 1 483.584 4.397 50 0 JIAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1OC ZINC000036312205 569760109 /nfs/dbraw/zinc/76/01/09/569760109.db2.gz HTYNRUQOOYVOTA-UHFFFAOYSA-N 1 1 466.557 4.294 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)CC1 ZINC000036312245 569760117 /nfs/dbraw/zinc/76/01/17/569760117.db2.gz PLKXDNOVJMVXCK-OAQYLSRUSA-N 1 1 472.605 4.176 50 0 JIAAMO Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)C[C@H]2CCCO2)cc1 ZINC000036312237 569760168 /nfs/dbraw/zinc/76/01/68/569760168.db2.gz RGZYGETUMQYWFA-XMMPIXPASA-N 1 1 492.595 4.362 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)CC1 ZINC000036312243 569760173 /nfs/dbraw/zinc/76/01/73/569760173.db2.gz PLKXDNOVJMVXCK-NRFANRHFSA-N 1 1 472.605 4.176 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3OC)C2)cc1 ZINC000036341423 569764570 /nfs/dbraw/zinc/76/45/70/569764570.db2.gz QNCHCBHWXRAZBQ-NDEPHWFRSA-N 1 1 498.627 4.199 50 0 JIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000036341458 569764581 /nfs/dbraw/zinc/76/45/81/569764581.db2.gz RXEDESSYGOTDDX-HHHXNRCGSA-N 1 1 474.555 4.460 50 0 JIAAMO NC(=O)c1ccc(NC(=O)C[NH+]2CCC(Cn3c(COc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000036708921 569780255 /nfs/dbraw/zinc/78/02/55/569780255.db2.gz UMNUIJGPWFTQMJ-UHFFFAOYSA-N 1 1 497.599 4.065 50 0 JIAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000037382593 569785229 /nfs/dbraw/zinc/78/52/29/569785229.db2.gz ULYXZCBDUAADHD-GNFOSXPUSA-N 1 1 456.011 4.463 50 0 JIAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(C2CC2)nc2ccccc21)Nc1ccccc1 ZINC000037384209 569785464 /nfs/dbraw/zinc/78/54/64/569785464.db2.gz OXTVBZIIGUCSLF-UHFFFAOYSA-N 1 1 459.594 4.065 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000101878821 569806862 /nfs/dbraw/zinc/80/68/62/569806862.db2.gz GAONISVCUDMPSN-UHFFFAOYSA-N 1 1 484.522 4.412 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878821 569806864 /nfs/dbraw/zinc/80/68/64/569806864.db2.gz GAONISVCUDMPSN-UHFFFAOYSA-N 1 1 484.522 4.412 50 0 JIAAMO Cc1[nH+]c2n(c1CCNC(=O)CSc1nnc(-c3ccccc3)n1-c1ccccc1)CCCC2 ZINC000040158516 569822023 /nfs/dbraw/zinc/82/20/23/569822023.db2.gz UVTJMJGGPJRBSB-UHFFFAOYSA-N 1 1 472.618 4.227 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000103522650 569835686 /nfs/dbraw/zinc/83/56/86/569835686.db2.gz FSRFOSZQIFSTDH-XDZXDJIYSA-N 1 1 493.563 4.466 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000103522650 569835688 /nfs/dbraw/zinc/83/56/88/569835688.db2.gz FSRFOSZQIFSTDH-XDZXDJIYSA-N 1 1 493.563 4.466 50 0 JIAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919186 569846991 /nfs/dbraw/zinc/84/69/91/569846991.db2.gz JAHKQZFOCBYNFL-WMTXJRDZSA-N 1 1 491.529 4.003 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105008447 569850060 /nfs/dbraw/zinc/85/00/60/569850060.db2.gz DNDOJRYNVZIHCY-XUZZJYLKSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105008447 569850061 /nfs/dbraw/zinc/85/00/61/569850061.db2.gz DNDOJRYNVZIHCY-XUZZJYLKSA-N 1 1 451.542 4.087 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@@H](C)C2)cc1 ZINC000105059641 569852646 /nfs/dbraw/zinc/85/26/46/569852646.db2.gz GMGJROSYYCSYTQ-FNZWTVRRSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@@H](C)C2)cc1 ZINC000105059641 569852647 /nfs/dbraw/zinc/85/26/47/569852647.db2.gz GMGJROSYYCSYTQ-FNZWTVRRSA-N 1 1 453.652 4.109 50 0 JIAAMO O=C(CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1)NCCc1ccc(OC(F)F)cc1 ZINC000106866734 569855834 /nfs/dbraw/zinc/85/58/34/569855834.db2.gz DZAOHXYYTJFWSW-BJKOFHAPSA-N 1 1 457.565 4.076 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000230076266 570044457 /nfs/dbraw/zinc/04/44/57/570044457.db2.gz NACLZDDCXPCEKE-ZEQRLZLVSA-N 1 1 471.667 4.304 50 0 JIAAMO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000245255085 570059888 /nfs/dbraw/zinc/05/98/88/570059888.db2.gz FLEJDNAIIQAFEC-APSVEGKFSA-N 1 1 497.982 4.366 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000245326128 570064701 /nfs/dbraw/zinc/06/47/01/570064701.db2.gz DGCMDSNAYMKGAI-NIYFSFCBSA-N 1 1 479.671 4.059 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000245326128 570064703 /nfs/dbraw/zinc/06/47/03/570064703.db2.gz DGCMDSNAYMKGAI-NIYFSFCBSA-N 1 1 479.671 4.059 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000245330643 570066989 /nfs/dbraw/zinc/06/69/89/570066989.db2.gz ZXNHOOYOSGDGRG-XUZZJYLKSA-N 1 1 492.657 4.138 50 0 JIAAMO CCCC(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248088152 570073725 /nfs/dbraw/zinc/07/37/25/570073725.db2.gz LSWKODPASKEENZ-CJFMBICVSA-N 1 1 453.652 4.254 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248335764 570077889 /nfs/dbraw/zinc/07/78/89/570077889.db2.gz NJXYULHSTSKAPV-XMODTWTHSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248339267 570078034 /nfs/dbraw/zinc/07/80/34/570078034.db2.gz SNKLAHRIDVWWMW-HCWCBTOOSA-N 1 1 470.356 4.041 50 0 JIAAMO CCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4CC)CC3)CC2)cc1 ZINC000249695271 570078674 /nfs/dbraw/zinc/07/86/74/570078674.db2.gz QPAMGSMGTWBKRR-UHFFFAOYSA-N 1 1 459.638 4.179 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517920 570082936 /nfs/dbraw/zinc/08/29/36/570082936.db2.gz VCYCGVRFGVUJDQ-GKAYAJSDSA-N 1 1 489.881 4.098 50 0 JIAAMO CCCCc1nc(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccc(OC)cc2)c[nH]1 ZINC000299792437 570176916 /nfs/dbraw/zinc/17/69/16/570176916.db2.gz FRJZUAHPRRUNEV-UHFFFAOYSA-N 1 1 495.668 4.258 50 0 JIAAMO O=S(=O)(c1ccc(Br)s1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000001040360 194007842 /nfs/dbraw/zinc/00/78/42/194007842.db2.gz VFNVPDFJOGDOIU-UHFFFAOYSA-N 1 1 472.817 4.223 50 0 JIAAMO CC[N@@H+](CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)Cc1ccccc1 ZINC000003645912 194348672 /nfs/dbraw/zinc/34/86/72/194348672.db2.gz NIFFWGUFQHIOAC-UHFFFAOYSA-N 1 1 463.651 4.322 50 0 JIAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)[NH+](C)C ZINC000012604924 195050093 /nfs/dbraw/zinc/05/00/93/195050093.db2.gz PWIQHOWNXFJSSM-QHCPKHFHSA-N 1 1 481.618 4.146 50 0 JIAAMO Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000012642201 195071917 /nfs/dbraw/zinc/07/19/17/195071917.db2.gz IVXFGCVQDHHFAS-OAQYLSRUSA-N 1 1 473.602 4.319 50 0 JIAAMO COc1ccc(-c2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)c3ccccc3n2)cc1OC ZINC000012728001 195097982 /nfs/dbraw/zinc/09/79/82/195097982.db2.gz WKSLMJVWMUWWAM-XMMPIXPASA-N 1 1 463.578 4.006 50 0 JIAAMO COc1ccc(CCNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000012788883 195130200 /nfs/dbraw/zinc/13/02/00/195130200.db2.gz PYIMPKAMXSBSBQ-UHFFFAOYSA-N 1 1 459.590 4.363 50 0 JIAAMO O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012798946 195138413 /nfs/dbraw/zinc/13/84/13/195138413.db2.gz FRYLZUJIVNPKPN-IBGZPJMESA-N 1 1 472.618 4.244 50 0 JIAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+](C)CCOc1cccc(C)c1 ZINC000012805234 195141210 /nfs/dbraw/zinc/14/12/10/195141210.db2.gz WTBUAKKVCROCJV-UHFFFAOYSA-N 1 1 477.561 4.214 50 0 JIAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+](C)CCOc1cccc(C)c1 ZINC000012805234 195141213 /nfs/dbraw/zinc/14/12/13/195141213.db2.gz WTBUAKKVCROCJV-UHFFFAOYSA-N 1 1 477.561 4.214 50 0 JIAAMO COc1ccc(C[N@@H+](C[C@@H](C)O)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000012863181 195160292 /nfs/dbraw/zinc/16/02/92/195160292.db2.gz BEGSCXDXADKEKJ-ZLKPOBCVSA-N 1 1 457.611 4.201 50 0 biogenic JIAAMO COc1ccc(-c2coc3cc(OCC(=O)N4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000020646676 195195394 /nfs/dbraw/zinc/19/53/94/195195394.db2.gz YZSKBXKFHBQXJZ-UHFFFAOYSA-N 1 1 484.552 4.192 50 0 biogenic JIAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020827208 195229583 /nfs/dbraw/zinc/22/95/83/195229583.db2.gz FRMQNCZEBTZGRP-UHFFFAOYSA-N 1 1 491.638 4.330 50 0 JIAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020827208 195229585 /nfs/dbraw/zinc/22/95/85/195229585.db2.gz FRMQNCZEBTZGRP-UHFFFAOYSA-N 1 1 491.638 4.330 50 0 JIAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2)c1ccc(F)cc1 ZINC000020992208 195262443 /nfs/dbraw/zinc/26/24/43/195262443.db2.gz QTQQCFWNZVXDEZ-UHFFFAOYSA-N 1 1 485.563 4.240 50 0 JIAAMO O=C(Cc1cccs1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020993376 195262662 /nfs/dbraw/zinc/26/26/62/195262662.db2.gz ZSCDALZFBVOPFN-UHFFFAOYSA-N 1 1 490.673 4.073 50 0 JIAAMO Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000020999368 195265278 /nfs/dbraw/zinc/26/52/78/195265278.db2.gz MDENEVTWHNDIHI-QGZVFWFLSA-N 1 1 457.500 4.155 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000021097984 195276031 /nfs/dbraw/zinc/27/60/31/195276031.db2.gz FTLTXHZYUCWTRM-SANMLTNESA-N 1 1 479.646 4.142 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158990 195285596 /nfs/dbraw/zinc/28/55/96/195285596.db2.gz SGCJQLGUSGFQJH-OAQYLSRUSA-N 1 1 477.628 4.431 50 0 JIAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021794767 195322235 /nfs/dbraw/zinc/32/22/35/195322235.db2.gz UQLMTUAYYNKWBX-UHFFFAOYSA-N 1 1 457.987 4.001 50 0 JIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)c1C ZINC000021934223 195335786 /nfs/dbraw/zinc/33/57/86/195335786.db2.gz XUAYGOBETSBCPD-UHFFFAOYSA-N 1 1 465.601 4.466 50 0 JIAAMO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3nc4ccccc4n3C)CC2)C1=O ZINC000014753851 519719587 /nfs/dbraw/zinc/71/95/87/519719587.db2.gz AJKFHZIKOSEDKB-UHFFFAOYSA-N 1 1 473.621 4.071 50 0 JIAAMO CCCC[N@@H+](C)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3cc(C)ccc3C)c2c1=O ZINC000008611127 520401086 /nfs/dbraw/zinc/40/10/86/520401086.db2.gz XXRXUZKLWRXWEP-UHFFFAOYSA-N 1 1 487.648 4.255 50 0 JIAAMO CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000005985495 520744099 /nfs/dbraw/zinc/74/40/99/520744099.db2.gz QAVXVZMEFFAVMG-UHFFFAOYSA-N 1 1 493.585 4.317 50 0 JIAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305730 520798524 /nfs/dbraw/zinc/79/85/24/520798524.db2.gz FEZNWADZKRILQJ-OAQYLSRUSA-N 1 1 453.583 4.497 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(Br)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457198 521538563 /nfs/dbraw/zinc/53/85/63/521538563.db2.gz KTRSWDGMEZUAET-UHFFFAOYSA-N 1 1 495.421 4.155 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(Br)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457198 521538575 /nfs/dbraw/zinc/53/85/75/521538575.db2.gz KTRSWDGMEZUAET-UHFFFAOYSA-N 1 1 495.421 4.155 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 ZINC000021880330 521639281 /nfs/dbraw/zinc/63/92/81/521639281.db2.gz XNGFXTXGVQFFOK-HXUWFJFHSA-N 1 1 453.612 4.057 50 0 JIAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033068985 521681899 /nfs/dbraw/zinc/68/18/99/521681899.db2.gz YVPGPJYNYIFPCQ-UHFFFAOYSA-N 1 1 457.596 4.073 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[N@H+](C[C@H](C)CCC=C(C)C)CC2 ZINC000014889222 522018524 /nfs/dbraw/zinc/01/85/24/522018524.db2.gz SJWDXBAQYHHVQT-LJQANCHMSA-N 1 1 457.640 4.089 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@H](O)COC(C)C ZINC000036302871 522638843 /nfs/dbraw/zinc/63/88/43/522638843.db2.gz FJJOGOBJJIYGFA-QHCPKHFHSA-N 1 1 467.610 4.461 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000036302871 522638851 /nfs/dbraw/zinc/63/88/51/522638851.db2.gz FJJOGOBJJIYGFA-QHCPKHFHSA-N 1 1 467.610 4.461 50 0 JIAAMO COc1cc(OC)c(NC(=O)N2CC[NH+](CCn3c4ncccc4nc3C(C)C)CC2)cc1Cl ZINC000033139848 522804001 /nfs/dbraw/zinc/80/40/01/522804001.db2.gz CGWNYZWGIBDAOR-UHFFFAOYSA-N 1 1 487.004 4.075 50 0 JIAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(SC)cc2)CC3)o1 ZINC000014969648 522963777 /nfs/dbraw/zinc/96/37/77/522963777.db2.gz RCYGVPXXCISDLO-JOCHJYFZSA-N 1 1 497.665 4.315 50 0 JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000012447839 522969053 /nfs/dbraw/zinc/96/90/53/522969053.db2.gz VNKCHUMFJCPYPJ-NKPLSRDGSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000012447839 522969062 /nfs/dbraw/zinc/96/90/62/522969062.db2.gz VNKCHUMFJCPYPJ-NKPLSRDGSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO CCc1cc(N2CCCC[C@H]2C)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036028359 523793583 /nfs/dbraw/zinc/79/35/83/523793583.db2.gz KEDDPXYCKRYBSX-LJQANCHMSA-N 1 1 453.656 4.098 50 0 JIAAMO CN(C(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000035456592 523853860 /nfs/dbraw/zinc/85/38/60/523853860.db2.gz FNZKWNQLBAYHJB-UHFFFAOYSA-N 1 1 482.559 4.271 50 0 JIAAMO CN(C(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000035456592 523853870 /nfs/dbraw/zinc/85/38/70/523853870.db2.gz FNZKWNQLBAYHJB-UHFFFAOYSA-N 1 1 482.559 4.271 50 0 JIAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC ZINC000036305824 523941110 /nfs/dbraw/zinc/94/11/10/523941110.db2.gz KCOZYKQGMBDKDH-FPOVZHCZSA-N 1 1 453.583 4.496 50 0 JIAAMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)ccc2OC)cc1 ZINC000016599763 523995848 /nfs/dbraw/zinc/99/58/48/523995848.db2.gz QKDNLMMUFOFUGC-QHCPKHFHSA-N 1 1 481.618 4.091 50 0 JIAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@@H+](C)Cc1nc3ccccc3s1)CC2 ZINC000014749687 524032441 /nfs/dbraw/zinc/03/24/41/524032441.db2.gz VARRSIRXNSLDHD-LJQANCHMSA-N 1 1 459.619 4.232 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(Cl)cc4)[nH]c(=O)c3C2)cc1 ZINC000033331802 524040074 /nfs/dbraw/zinc/04/00/74/524040074.db2.gz QOSUPFCJPUQHFH-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(Cl)cc4)[nH]c(=O)c3C2)cc1 ZINC000033331802 524040075 /nfs/dbraw/zinc/04/00/75/524040075.db2.gz QOSUPFCJPUQHFH-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)N1CC[NH+](CCn2c3ncccc3nc2C(C)C)CC1 ZINC000033139845 524233580 /nfs/dbraw/zinc/23/35/80/524233580.db2.gz QNRKEEXBOCAIEO-UHFFFAOYSA-N 1 1 456.978 4.066 50 0 JIAAMO Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c(C)c1 ZINC000035485294 525217762 /nfs/dbraw/zinc/21/77/62/525217762.db2.gz CFQJYANOZLREKD-SVBPBHIXSA-N 1 1 466.585 4.165 50 0 biogenic JIAAMO COc1ccc([S@](=O)Cc2ccc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000020515029 525475512 /nfs/dbraw/zinc/47/55/12/525475512.db2.gz MROQUJIDNXEZSF-UMSFTDKQSA-N 1 1 480.630 4.281 50 0 JIAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CC[N@H+]1CCCC[C@@H]1C)C3=O ZINC000035477377 525643489 /nfs/dbraw/zinc/64/34/89/525643489.db2.gz NWHPHEKDSYMWAD-MMTVBGGISA-N 1 1 480.653 4.188 50 0 JIAAMO Cc1ccsc1C(=O)N1CCC[C@@H](COc2cccc(C[N@@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014988626 525818223 /nfs/dbraw/zinc/81/82/23/525818223.db2.gz UQQRBVFCGVNIDE-OAQYLSRUSA-N 1 1 452.624 4.353 50 0 JIAAMO Cc1ccsc1C(=O)N1CCC[C@@H](COc2cccc(C[N@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014988626 525818233 /nfs/dbraw/zinc/81/82/33/525818233.db2.gz UQQRBVFCGVNIDE-OAQYLSRUSA-N 1 1 452.624 4.353 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCCc2ccccc2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456385 525820205 /nfs/dbraw/zinc/82/02/05/525820205.db2.gz XIIPTYKFFUEESK-UHFFFAOYSA-N 1 1 492.623 4.136 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCCc2ccccc2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456385 525820217 /nfs/dbraw/zinc/82/02/17/525820217.db2.gz XIIPTYKFFUEESK-UHFFFAOYSA-N 1 1 492.623 4.136 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccccc2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456281 525820241 /nfs/dbraw/zinc/82/02/41/525820241.db2.gz HOTFJVDWYXGOSP-UHFFFAOYSA-N 1 1 464.569 4.416 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccccc2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456281 525820250 /nfs/dbraw/zinc/82/02/50/525820250.db2.gz HOTFJVDWYXGOSP-UHFFFAOYSA-N 1 1 464.569 4.416 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCC4CC[NH+](Cc5ccccc5F)CC4)CC3)[nH]c2c1 ZINC000033070924 526252435 /nfs/dbraw/zinc/25/24/35/526252435.db2.gz ACIWDHVYVHNWMH-UHFFFAOYSA-N 1 1 463.601 4.255 50 0 JIAAMO O=C([C@H]1CC12CCN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014996762 526529560 /nfs/dbraw/zinc/52/95/60/526529560.db2.gz AYARFIMYWYNMBX-SKQAHVGISA-N 1 1 475.677 4.176 50 0 JIAAMO Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033299309 526861970 /nfs/dbraw/zinc/86/19/70/526861970.db2.gz XVIIQTNDWUOTIS-UHFFFAOYSA-N 1 1 462.563 4.104 50 0 JIAAMO O=C1[C@@H](Oc2cccc(Cl)c2)[C@@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048249014 527108188 /nfs/dbraw/zinc/10/81/88/527108188.db2.gz YKZIWTQQCHZRHK-YADHBBJMSA-N 1 1 450.913 4.062 50 0 JIAAMO O=C1[C@@H]2[C@@H]3CCCC[N@H+]3[C@@]3(c4ccccc4N(Cc4ccc(F)cc4)C3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000014944840 527111394 /nfs/dbraw/zinc/11/13/94/527111394.db2.gz XBBKJXQYCRFCCP-HNRABGRISA-N 1 1 495.554 4.242 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035361 527672985 /nfs/dbraw/zinc/67/29/85/527672985.db2.gz MOENERAUKKZKKV-QFIPXVFZSA-N 1 1 485.028 4.204 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002446170 554213069 /nfs/dbraw/zinc/21/30/69/554213069.db2.gz OZSGSWFXERWLLT-RJESQKRESA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002446170 554213071 /nfs/dbraw/zinc/21/30/71/554213071.db2.gz OZSGSWFXERWLLT-RJESQKRESA-N 1 1 471.944 4.233 50 0 JIAAMO O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002770564 554336463 /nfs/dbraw/zinc/33/64/63/554336463.db2.gz KTLADZQNZMRSFJ-NSHDSACASA-N 1 1 455.893 4.050 50 0 JIAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000006577319 554552745 /nfs/dbraw/zinc/55/27/45/554552745.db2.gz QAEDBZFLINADKW-HXUWFJFHSA-N 1 1 496.995 4.093 50 0 JIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008917781 554813282 /nfs/dbraw/zinc/81/32/82/554813282.db2.gz VUVNSUMJMLJMSK-HRNNMHKYSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008917781 554813283 /nfs/dbraw/zinc/81/32/83/554813283.db2.gz VUVNSUMJMLJMSK-HRNNMHKYSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO CCCC[N@@H+](CC)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933080 554826609 /nfs/dbraw/zinc/82/66/09/554826609.db2.gz UGAYEGZVAGNQOX-UHFFFAOYSA-N 1 1 473.621 4.028 50 0 JIAAMO O=C(CN1CCCCC1)Nc1ccc(Oc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000009090501 554891503 /nfs/dbraw/zinc/89/15/03/554891503.db2.gz JUZPOFMWKDZONZ-UHFFFAOYSA-N 1 1 450.583 4.328 50 0 JIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000009115670 554902564 /nfs/dbraw/zinc/90/25/64/554902564.db2.gz PEMREEAMSAREFN-WJOKGBTCSA-N 1 1 456.995 4.419 50 0 JIAAMO CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)c2)on1 ZINC000009638063 555346429 /nfs/dbraw/zinc/34/64/29/555346429.db2.gz NWPZRYSBPWFENP-UHFFFAOYSA-N 1 1 499.589 4.314 50 0 JIAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 ZINC000009686362 555414946 /nfs/dbraw/zinc/41/49/46/555414946.db2.gz JTDVOOWYOMRNCY-JOCHJYFZSA-N 1 1 475.662 4.368 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(cccc2Cl)s1 ZINC000009707960 555432119 /nfs/dbraw/zinc/43/21/19/555432119.db2.gz NDPABXYUOWJLTG-UHFFFAOYSA-N 1 1 466.028 4.342 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000009731531 555468425 /nfs/dbraw/zinc/46/84/25/555468425.db2.gz NCZLAPPXYQEZAA-GOSISDBHSA-N 1 1 497.455 4.400 50 0 JIAAMO O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000013579490 555518634 /nfs/dbraw/zinc/51/86/34/555518634.db2.gz ICQJQZNGFLQVJL-DIBXZPPDSA-N 1 1 464.569 4.283 50 0 JIAAMO CCOC(=O)c1c(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2c1CC(C)(C)OC2 ZINC000013607075 555531359 /nfs/dbraw/zinc/53/13/59/555531359.db2.gz SDMCBHMOCNXGSX-UHFFFAOYSA-N 1 1 457.596 4.126 50 0 JIAAMO O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019893145 555531384 /nfs/dbraw/zinc/53/13/84/555531384.db2.gz PFVDCOVKDKLZCS-UHFFFAOYSA-N 1 1 468.523 4.324 50 0 JIAAMO COc1ccc(C2=NO[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1OC ZINC000019894445 555532685 /nfs/dbraw/zinc/53/26/85/555532685.db2.gz FDXHKBVMRPAAQB-MHZLTWQESA-N 1 1 485.584 4.131 50 0 JIAAMO CC[NH+]1CCN(C2=C(Sc3ccccc3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000019912163 555538328 /nfs/dbraw/zinc/53/83/28/555538328.db2.gz PWIWTCBKUVQRBO-UHFFFAOYSA-N 1 1 461.509 4.220 50 0 JIAAMO Cc1ccc(-c2nn(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c3ccccc32)cc1 ZINC000019928822 555544730 /nfs/dbraw/zinc/54/47/30/555544730.db2.gz APCJGQAMTHTAOT-UHFFFAOYSA-N 1 1 466.585 4.106 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cc(C)cc2C)s1 ZINC000010067144 555614361 /nfs/dbraw/zinc/61/43/61/555614361.db2.gz TYWFUHXAJCCBFU-UHFFFAOYSA-N 1 1 473.664 4.452 50 0 JIAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)nn2)CC1 ZINC000010186651 555640048 /nfs/dbraw/zinc/64/00/48/555640048.db2.gz LYFATHHMDDQDRR-UHFFFAOYSA-N 1 1 453.546 4.066 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000020183194 555690191 /nfs/dbraw/zinc/69/01/91/555690191.db2.gz FFVFRWRFWQISLF-NRFANRHFSA-N 1 1 455.672 4.321 50 0 JIAAMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000014116455 555692142 /nfs/dbraw/zinc/69/21/42/555692142.db2.gz LVSOFSPXYZTEFJ-BEFAXECRSA-N 1 1 473.645 4.242 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)C1 ZINC000014528866 555816525 /nfs/dbraw/zinc/81/65/25/555816525.db2.gz MMWHRLMHDSCURD-CALCHBBNSA-N 1 1 458.603 4.251 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)C1 ZINC000014528866 555816527 /nfs/dbraw/zinc/81/65/27/555816527.db2.gz MMWHRLMHDSCURD-CALCHBBNSA-N 1 1 458.603 4.251 50 0 JIAAMO COc1cccc(CCNC(=O)[C@H]2CC23CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC3)c1 ZINC000011786389 555819672 /nfs/dbraw/zinc/81/96/72/555819672.db2.gz OQYSTBWAVIKSEC-OAQYLSRUSA-N 1 1 473.013 4.327 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cc(OC)ccc2OC)CCO3)C1 ZINC000011788839 555823313 /nfs/dbraw/zinc/82/33/13/555823313.db2.gz LMCZGPBEAIQAEM-QHCPKHFHSA-N 1 1 495.664 4.179 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@H+](CCc2ccccc2)C1 ZINC000014537031 555826441 /nfs/dbraw/zinc/82/64/41/555826441.db2.gz JGTNXOLPXZCIOW-XZOQPEGZSA-N 1 1 477.555 4.401 50 0 JIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCC(C)C)C2)cc1OC ZINC000014539503 555829347 /nfs/dbraw/zinc/82/93/47/555829347.db2.gz GFTWZWPPLQQCDR-BJKOFHAPSA-N 1 1 493.648 4.042 50 0 JIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000015101513 555876711 /nfs/dbraw/zinc/87/67/11/555876711.db2.gz FWUDEMHULCODNC-SFHVURJKSA-N 1 1 465.525 4.424 50 0 JIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000015101513 555876714 /nfs/dbraw/zinc/87/67/14/555876714.db2.gz FWUDEMHULCODNC-SFHVURJKSA-N 1 1 465.525 4.424 50 0 JIAAMO COCc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)[C@@H]4CCC[N@@H+](C)C4)c3)oc2C)s1 ZINC000011997646 555879805 /nfs/dbraw/zinc/87/98/05/555879805.db2.gz CBHQNQACQKZDGL-GOSISDBHSA-N 1 1 482.606 4.068 50 0 JIAAMO O=C(c1cncs1)N1CCC(Oc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000012135987 555913381 /nfs/dbraw/zinc/91/33/81/555913381.db2.gz QERSRBOMTUJBOI-UHFFFAOYSA-N 1 1 480.609 4.288 50 0 JIAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c(C)c1C ZINC000012149302 555921318 /nfs/dbraw/zinc/92/13/18/555921318.db2.gz DPIKBTRMLAIVCJ-UGKGYDQZSA-N 1 1 452.624 4.448 50 0 JIAAMO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)c1ccccc1n3CC)CC2 ZINC000012163072 555931545 /nfs/dbraw/zinc/93/15/45/555931545.db2.gz PTWBQEAAAFVJRF-IBGZPJMESA-N 1 1 458.610 4.127 50 0 JIAAMO CCOC(=O)c1cnn(-c2ccccn2)c1C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000012191434 555938857 /nfs/dbraw/zinc/93/88/57/555938857.db2.gz KYQBZNSRFGMBGM-QHWMMSMNSA-N 1 1 460.578 4.096 50 0 JIAAMO CCOC(=O)c1cnn(-c2ccccn2)c1C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000012191434 555938861 /nfs/dbraw/zinc/93/88/61/555938861.db2.gz KYQBZNSRFGMBGM-QHWMMSMNSA-N 1 1 460.578 4.096 50 0 JIAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000022934094 555986522 /nfs/dbraw/zinc/98/65/22/555986522.db2.gz GGINXORFXBJLHH-UHFFFAOYSA-N 1 1 463.409 4.195 50 0 JIAAMO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022937298 555990225 /nfs/dbraw/zinc/99/02/25/555990225.db2.gz VQZBAJWMPSPHSF-UHFFFAOYSA-N 1 1 496.659 4.218 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3nn(C)c4c3CSc3ccc(C)cc3-4)cc2)CC1 ZINC000022937886 555991142 /nfs/dbraw/zinc/99/11/42/555991142.db2.gz ATYDKRAGBGGTPA-UHFFFAOYSA-N 1 1 461.635 4.391 50 0 JIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nc(C)[nH+]2)cc1 ZINC000015838337 556021602 /nfs/dbraw/zinc/02/16/02/556021602.db2.gz DANGZBWYFXYXIP-UHFFFAOYSA-N 1 1 456.344 4.155 50 0 JIAAMO COc1cc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc(OC)c1OC ZINC000015838348 556021725 /nfs/dbraw/zinc/02/17/25/556021725.db2.gz SWUVUUSITBYVIJ-UHFFFAOYSA-N 1 1 463.538 4.407 50 0 JIAAMO COc1cc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc(OC)c1OC ZINC000015838348 556021727 /nfs/dbraw/zinc/02/17/27/556021727.db2.gz SWUVUUSITBYVIJ-UHFFFAOYSA-N 1 1 463.538 4.407 50 0 JIAAMO O=C([C@@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023142798 556022221 /nfs/dbraw/zinc/02/22/21/556022221.db2.gz LAFAVXFNINKKDP-XMMPIXPASA-N 1 1 490.051 4.400 50 0 JIAAMO Cc1ccc(-c2csc3[nH]c(C[NH2+][C@@H](CN4CCOCC4)c4ccccc4)nc(=O)c23)s1 ZINC000023248888 556034757 /nfs/dbraw/zinc/03/47/57/556034757.db2.gz JVWLHXVGFGSQOG-IBGZPJMESA-N 1 1 466.632 4.185 50 0 JIAAMO Cc1ccc(-c2csc3[nH]c(C[NH2+][C@H](CN4CCOCC4)c4ccccc4)nc(=O)c23)s1 ZINC000023248889 556034880 /nfs/dbraw/zinc/03/48/80/556034880.db2.gz JVWLHXVGFGSQOG-LJQANCHMSA-N 1 1 466.632 4.185 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001104 556105985 /nfs/dbraw/zinc/10/59/85/556105985.db2.gz VAPJNWMGRHXMGP-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001104 556105987 /nfs/dbraw/zinc/10/59/87/556105987.db2.gz VAPJNWMGRHXMGP-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000016033291 556117412 /nfs/dbraw/zinc/11/74/12/556117412.db2.gz DJEIXMPUWMBXGD-KNOQFWTLSA-N 1 1 467.953 4.096 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000016033291 556117413 /nfs/dbraw/zinc/11/74/13/556117413.db2.gz DJEIXMPUWMBXGD-KNOQFWTLSA-N 1 1 467.953 4.096 50 0 JIAAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000016891240 556172508 /nfs/dbraw/zinc/17/25/08/556172508.db2.gz SPOOUHHTHPEABK-UQBPGWFLSA-N 1 1 465.619 4.447 50 0 JIAAMO COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000016891228 556172641 /nfs/dbraw/zinc/17/26/41/556172641.db2.gz YFNWSCBRLHJMDS-CLOONOSVSA-N 1 1 495.645 4.456 50 0 JIAAMO C[N@@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 ZINC000016916116 556180075 /nfs/dbraw/zinc/18/00/75/556180075.db2.gz KQZMSFXILWRUDT-UHFFFAOYSA-N 1 1 488.594 4.247 50 0 JIAAMO C[N@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 ZINC000016916116 556180077 /nfs/dbraw/zinc/18/00/77/556180077.db2.gz KQZMSFXILWRUDT-UHFFFAOYSA-N 1 1 488.594 4.247 50 0 JIAAMO COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2nc(Nc3ccccc3)cc(C)[nH+]2)CC1 ZINC000017010295 556200141 /nfs/dbraw/zinc/20/01/41/556200141.db2.gz AASYVIPLMHAUHX-UHFFFAOYSA-N 1 1 488.013 4.010 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000017042569 556209097 /nfs/dbraw/zinc/20/90/97/556209097.db2.gz DPRLVEGPGSOMNA-UHFFFAOYSA-N 1 1 451.958 4.461 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000013037728 556232851 /nfs/dbraw/zinc/23/28/51/556232851.db2.gz JKXXCUQZDVJWCJ-GOSISDBHSA-N 1 1 486.663 4.145 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000013037728 556232854 /nfs/dbraw/zinc/23/28/54/556232854.db2.gz JKXXCUQZDVJWCJ-GOSISDBHSA-N 1 1 486.663 4.145 50 0 JIAAMO O=C(Nc1ccc(I)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955158 556389706 /nfs/dbraw/zinc/38/97/06/556389706.db2.gz IMHVWBSQDCHBII-UHFFFAOYSA-N 1 1 488.329 4.192 50 0 JIAAMO Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCCC[N@@H+](C)C3CCCCC3)c2cc1C ZINC000032945098 556559729 /nfs/dbraw/zinc/55/97/29/556559729.db2.gz QSPSUPPCRNCVRT-KRWDZBQOSA-N 1 1 466.548 4.364 50 0 JIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000008440816 562939271 /nfs/dbraw/zinc/93/92/71/562939271.db2.gz NMWGBMCKLXFLQQ-FQEVSTJZSA-N 1 1 453.951 4.463 50 0 JIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000008440816 562939273 /nfs/dbraw/zinc/93/92/73/562939273.db2.gz NMWGBMCKLXFLQQ-FQEVSTJZSA-N 1 1 453.951 4.463 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000008680766 562951061 /nfs/dbraw/zinc/95/10/61/562951061.db2.gz JOJSQJRJKUTDEU-UHFFFAOYSA-N 1 1 477.630 4.168 50 0 JIAAMO C[N@@H+](Cc1cccc(OCCNC(=O)c2ccc3c(c2)OCO3)c1)Cc1cccc2cccnc21 ZINC000014998873 563011198 /nfs/dbraw/zinc/01/11/98/563011198.db2.gz ATUFVPYPBMEOTD-UHFFFAOYSA-N 1 1 469.541 4.404 50 0 JIAAMO CCN(CC)C(=O)C[NH+]1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c32)CC1 ZINC000057290145 569595610 /nfs/dbraw/zinc/59/56/10/569595610.db2.gz QNXMHIACLPOHCE-UHFFFAOYSA-N 1 1 486.645 4.411 50 0 JIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc(OC)c1OC ZINC000008722572 569599087 /nfs/dbraw/zinc/59/90/87/569599087.db2.gz CGMGEOIKMQRWDI-HSZRJFAPSA-N 1 1 465.575 4.186 50 0 JIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc(OC)c1OC ZINC000008722572 569599088 /nfs/dbraw/zinc/59/90/88/569599088.db2.gz CGMGEOIKMQRWDI-HSZRJFAPSA-N 1 1 465.575 4.186 50 0 JIAAMO COc1cccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000061999496 569609932 /nfs/dbraw/zinc/60/99/32/569609932.db2.gz GFPWAQIHWBGSEM-XSHKJCDBSA-N 1 1 493.563 4.018 50 0 biogenic JIAAMO CC(C)NC(=O)C1CC[NH+](CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)CC1 ZINC000062590058 569612300 /nfs/dbraw/zinc/61/23/00/569612300.db2.gz VULYZFFMUMVUCD-UHFFFAOYSA-N 1 1 485.632 4.203 50 0 JIAAMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000062626385 569613790 /nfs/dbraw/zinc/61/37/90/569613790.db2.gz HKMWDOLBEVBOMT-FQEVSTJZSA-N 1 1 485.009 4.386 50 0 JIAAMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000062626385 569613792 /nfs/dbraw/zinc/61/37/92/569613792.db2.gz HKMWDOLBEVBOMT-FQEVSTJZSA-N 1 1 485.009 4.386 50 0 JIAAMO COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033013086 569617560 /nfs/dbraw/zinc/61/75/60/569617560.db2.gz VQNDTNIVWFWFLP-UHFFFAOYSA-N 1 1 484.556 4.135 50 0 JIAAMO Cc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000034757887 569657078 /nfs/dbraw/zinc/65/70/78/569657078.db2.gz MYLTZDXOYMNNRL-UHFFFAOYSA-N 1 1 477.996 4.181 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787235 569659512 /nfs/dbraw/zinc/65/95/12/569659512.db2.gz ZOZICDMHCISTPB-DEOSSOPVSA-N 1 1 465.644 4.132 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787235 569659513 /nfs/dbraw/zinc/65/95/13/569659513.db2.gz ZOZICDMHCISTPB-DEOSSOPVSA-N 1 1 465.644 4.132 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000034787763 569659897 /nfs/dbraw/zinc/65/98/97/569659897.db2.gz UONPRRAZLKLTAK-SANMLTNESA-N 1 1 477.605 4.128 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000034787763 569659898 /nfs/dbraw/zinc/65/98/98/569659898.db2.gz UONPRRAZLKLTAK-SANMLTNESA-N 1 1 477.605 4.128 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@H](C)C2)cc1 ZINC000034829775 569663463 /nfs/dbraw/zinc/66/34/63/569663463.db2.gz GMGJROSYYCSYTQ-IBVKSMDESA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@H](C)C2)cc1 ZINC000034829775 569663464 /nfs/dbraw/zinc/66/34/64/569663464.db2.gz GMGJROSYYCSYTQ-IBVKSMDESA-N 1 1 453.652 4.109 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)[C@H]1c1ccccc1 ZINC000034927907 569673174 /nfs/dbraw/zinc/67/31/74/569673174.db2.gz UNTUVIRHLQGZMP-FQLXRVMXSA-N 1 1 497.639 4.267 50 0 JIAAMO O=C(c1ccccc1)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@H](Cc2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000035363855 569682677 /nfs/dbraw/zinc/68/26/77/569682677.db2.gz CHSJOVNHEAYSQX-PNQKXDKOSA-N 1 1 499.570 4.438 50 0 biogenic JIAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035426990 569694071 /nfs/dbraw/zinc/69/40/71/569694071.db2.gz HFIRHPFJQFMNCT-XMMPIXPASA-N 1 1 480.634 4.186 50 0 JIAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035426990 569694072 /nfs/dbraw/zinc/69/40/72/569694072.db2.gz HFIRHPFJQFMNCT-XMMPIXPASA-N 1 1 480.634 4.186 50 0 JIAAMO Cc1c(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)sc2nc(C3CC3)nc(C)c12 ZINC000078720337 569706536 /nfs/dbraw/zinc/70/65/36/569706536.db2.gz MJXKJSAJFXOHBO-GOSISDBHSA-N 1 1 463.607 4.135 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000083869609 569708707 /nfs/dbraw/zinc/70/87/07/569708707.db2.gz PXDSMUADUOFDOG-UHFFFAOYSA-N 1 1 469.651 4.240 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000035883729 569720036 /nfs/dbraw/zinc/72/00/36/569720036.db2.gz DJEIXMPUWMBXGD-KHOMTPLRSA-N 1 1 467.953 4.096 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000035883729 569720037 /nfs/dbraw/zinc/72/00/37/569720037.db2.gz DJEIXMPUWMBXGD-KHOMTPLRSA-N 1 1 467.953 4.096 50 0 JIAAMO CCc1cccc2c([C@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888844 569721423 /nfs/dbraw/zinc/72/14/23/569721423.db2.gz UIJOYNSRXUORPS-HSZRJFAPSA-N 1 1 479.621 4.108 50 0 JIAAMO CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000035908098 569723808 /nfs/dbraw/zinc/72/38/08/569723808.db2.gz TWAAQJYFTSRTQK-LADGPHEKSA-N 1 1 475.555 4.220 50 0 JIAAMO Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)o1 ZINC000095545154 569726980 /nfs/dbraw/zinc/72/69/80/569726980.db2.gz NAEWZCOVZFHYAP-UHFFFAOYSA-N 1 1 477.540 4.181 50 0 JIAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000096646348 569742695 /nfs/dbraw/zinc/74/26/95/569742695.db2.gz SNFXWSANNHCHSY-UHFFFAOYSA-N 1 1 457.987 4.001 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313051 569760614 /nfs/dbraw/zinc/76/06/14/569760614.db2.gz QBNZBVQHGPHJGK-QFIPXVFZSA-N 1 1 455.599 4.248 50 0 JIAAMO COCCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=S)Nc1ccc(F)cc1 ZINC000036313500 569760832 /nfs/dbraw/zinc/76/08/32/569760832.db2.gz XPAWLOKAOOXZBQ-UHFFFAOYSA-N 1 1 483.613 4.078 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316373 569762866 /nfs/dbraw/zinc/76/28/66/569762866.db2.gz JQPZEQSQKYMOEB-JOCHJYFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316373 569762867 /nfs/dbraw/zinc/76/28/67/569762867.db2.gz JQPZEQSQKYMOEB-JOCHJYFZSA-N 1 1 483.609 4.081 50 0 JIAAMO Cc1ccc(C)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342673 569766103 /nfs/dbraw/zinc/76/61/03/569766103.db2.gz SSVFTEDLBPWTRC-SANMLTNESA-N 1 1 461.606 4.437 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343687 569766491 /nfs/dbraw/zinc/76/64/91/569766491.db2.gz NIDGGXDEXZOHAT-URXFXBBRSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343687 569766492 /nfs/dbraw/zinc/76/64/92/569766492.db2.gz NIDGGXDEXZOHAT-URXFXBBRSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343685 569766517 /nfs/dbraw/zinc/76/65/17/569766517.db2.gz NIDGGXDEXZOHAT-QPPBQGQZSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343685 569766518 /nfs/dbraw/zinc/76/65/18/569766518.db2.gz NIDGGXDEXZOHAT-QPPBQGQZSA-N 1 1 451.542 4.087 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)CN1CCOCC1 ZINC000036345980 569768608 /nfs/dbraw/zinc/76/86/08/569768608.db2.gz BXRQZBYMQLUKBL-DEOSSOPVSA-N 1 1 496.627 4.263 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036346678 569770681 /nfs/dbraw/zinc/77/06/81/569770681.db2.gz FLHPMYXPNPBHIR-HSZRJFAPSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036346678 569770683 /nfs/dbraw/zinc/77/06/83/569770683.db2.gz FLHPMYXPNPBHIR-HSZRJFAPSA-N 1 1 489.563 4.486 50 0 JIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524132 569793003 /nfs/dbraw/zinc/79/30/03/569793003.db2.gz FWTWQTAIOQUQJT-ATIYNZHBSA-N 1 1 472.601 4.190 50 0 JIAAMO CC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(C)cc4)N23)CC1 ZINC000101920192 569807856 /nfs/dbraw/zinc/80/78/56/569807856.db2.gz XHACJDPETAQENB-XMMPIXPASA-N 1 1 482.650 4.076 50 0 JIAAMO O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000039356680 569809471 /nfs/dbraw/zinc/80/94/71/569809471.db2.gz MTPQKHXSWZFGIZ-KAYWLYCHSA-N 1 1 474.580 4.110 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000102160874 569810323 /nfs/dbraw/zinc/81/03/23/569810323.db2.gz LYXSFLCWFCQCPE-MVWZBQRNSA-N 1 1 481.662 4.110 50 0 JIAAMO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)CC2)c(C)c1 ZINC000039563714 569810872 /nfs/dbraw/zinc/81/08/72/569810872.db2.gz YQJJZZIXKMBUHP-UHFFFAOYSA-N 1 1 489.726 4.127 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1C ZINC000040051264 569815010 /nfs/dbraw/zinc/81/50/10/569815010.db2.gz FBVWDCMDDXQTLX-SFHVURJKSA-N 1 1 467.060 4.220 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000040089506 569815961 /nfs/dbraw/zinc/81/59/61/569815961.db2.gz HHRSZUITPOZXFX-UHFFFAOYSA-N 1 1 466.029 4.009 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000040149636 569819187 /nfs/dbraw/zinc/81/91/87/569819187.db2.gz OZXFILOLKOWSRY-IFMALSPDSA-N 1 1 497.636 4.138 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000040149636 569819190 /nfs/dbraw/zinc/81/91/90/569819190.db2.gz OZXFILOLKOWSRY-IFMALSPDSA-N 1 1 497.636 4.138 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)[NH+]1CCCCC1 ZINC000040156817 569821365 /nfs/dbraw/zinc/82/13/65/569821365.db2.gz FFLPMZYMEVRXCV-JOCHJYFZSA-N 1 1 480.996 4.160 50 0 JIAAMO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103232206 569833970 /nfs/dbraw/zinc/83/39/70/569833970.db2.gz HIMPAGZQHISGIH-QFIPXVFZSA-N 1 1 489.041 4.031 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)c1 ZINC000105004321 569849671 /nfs/dbraw/zinc/84/96/71/569849671.db2.gz SHFWKKWZFIASQA-RDGATRHJSA-N 1 1 486.678 4.059 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000105004634 569849869 /nfs/dbraw/zinc/84/98/69/569849869.db2.gz QZRYXBNOHVKRHD-XUZZJYLKSA-N 1 1 492.657 4.138 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccccc2Cl)C1 ZINC000105010815 569850953 /nfs/dbraw/zinc/85/09/53/569850953.db2.gz RBMKXSRUOXAUHL-FDDCHVKYSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccccc2Cl)C1 ZINC000105010815 569850955 /nfs/dbraw/zinc/85/09/55/569850955.db2.gz RBMKXSRUOXAUHL-FDDCHVKYSA-N 1 1 483.996 4.301 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C(C)C)[C@@H](C)C1 ZINC000105060667 569852582 /nfs/dbraw/zinc/85/25/82/569852582.db2.gz BBOJLIACUXBVRX-CPJSRVTESA-N 1 1 453.652 4.109 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000105549548 569853187 /nfs/dbraw/zinc/85/31/87/569853187.db2.gz MLGJMTHGAGYBPQ-YADHBBJMSA-N 1 1 464.562 4.120 50 0 JIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000105549548 569853188 /nfs/dbraw/zinc/85/31/88/569853188.db2.gz MLGJMTHGAGYBPQ-YADHBBJMSA-N 1 1 464.562 4.120 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC000169679465 569869692 /nfs/dbraw/zinc/86/96/92/569869692.db2.gz LWMHITUXBAWDED-RXFWQSSRSA-N 1 1 477.630 4.360 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COCC(C)C)C2CC2)c1 ZINC000169679452 569869777 /nfs/dbraw/zinc/86/97/77/569869777.db2.gz IQXRCXMWGRDDHO-RCZVLFRGSA-N 1 1 486.678 4.059 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000169680124 569870173 /nfs/dbraw/zinc/87/01/73/569870173.db2.gz BFCATSRURMDIIV-KDYSTLNUSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000169680124 569870174 /nfs/dbraw/zinc/87/01/74/569870174.db2.gz BFCATSRURMDIIV-KDYSTLNUSA-N 1 1 473.642 4.377 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245279908 570061694 /nfs/dbraw/zinc/06/16/94/570061694.db2.gz JMWGEZRDULPJMT-ISKFKSNPSA-N 1 1 483.584 4.397 50 0 JIAAMO COc1cc(NC(=O)CN2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)c(OC)cc1Cl ZINC000247830125 570069948 /nfs/dbraw/zinc/06/99/48/570069948.db2.gz HEAOYAYVMKWMSK-YADHBBJMSA-N 1 1 458.002 4.425 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247851637 570070065 /nfs/dbraw/zinc/07/00/65/570070065.db2.gz VSTPGKXOXGIIRZ-HLIRBWCUSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247851637 570070066 /nfs/dbraw/zinc/07/00/66/570070066.db2.gz VSTPGKXOXGIIRZ-HLIRBWCUSA-N 1 1 471.944 4.233 50 0 JIAAMO CCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247943994 570071366 /nfs/dbraw/zinc/07/13/66/570071366.db2.gz ANPFKNVRBMHPOO-QGZVFWFLSA-N 1 1 455.400 4.478 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248340333 570078103 /nfs/dbraw/zinc/07/81/03/570078103.db2.gz UUOSSWBURFOJPQ-RAZUEPIFSA-N 1 1 470.356 4.041 50 0 JIAAMO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4CC)C3)CC2)cc1 ZINC000249683569 570078441 /nfs/dbraw/zinc/07/84/41/570078441.db2.gz DAIRJJIZJJOTSC-QHCPKHFHSA-N 1 1 459.638 4.179 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc(C)c(C)c4)CC3)C2)nc2ccccc21 ZINC000249691185 570078548 /nfs/dbraw/zinc/07/85/48/570078548.db2.gz LHDGUAIEUFSZOP-HSZRJFAPSA-N 1 1 459.638 4.234 50 0 JIAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000249696537 570078676 /nfs/dbraw/zinc/07/86/76/570078676.db2.gz SUGLBRTYHYAHPX-UHFFFAOYSA-N 1 1 466.029 4.270 50 0 JIAAMO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252495200 570082089 /nfs/dbraw/zinc/08/20/89/570082089.db2.gz ONFGVUVTQXNLMD-JOCHJYFZSA-N 1 1 461.528 4.132 50 0 JIAAMO Cc1ccnc(C)c1C(=O)N1CCC([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000252503930 570082391 /nfs/dbraw/zinc/08/23/91/570082391.db2.gz VHJBASHCJMYSKZ-UHFFFAOYSA-N 1 1 481.950 4.192 50 0 JIAAMO C[N@@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)C1CCCCC1 ZINC000003057098 194221423 /nfs/dbraw/zinc/22/14/23/194221423.db2.gz FPMAIISPYOCBFW-XIEYBQDHSA-N 1 1 465.569 4.363 50 0 JIAAMO C[C@H](Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3)c1ccc(S(N)(=O)=O)cc1 ZINC000003448812 194328161 /nfs/dbraw/zinc/32/81/61/194328161.db2.gz RMGJEMOCUWJPCT-INIZCTEOSA-N 1 1 485.679 4.377 50 0 JIAAMO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000012612540 195054438 /nfs/dbraw/zinc/05/44/38/195054438.db2.gz JZEOIARSROSMCL-UHFFFAOYSA-N 1 1 450.410 4.328 50 0 JIAAMO O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020648326 195195229 /nfs/dbraw/zinc/19/52/29/195195229.db2.gz FWAKPTGZFWMXJH-UHFFFAOYSA-N 1 1 454.526 4.183 50 0 biogenic JIAAMO O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020767686 195222792 /nfs/dbraw/zinc/22/27/92/195222792.db2.gz YKNYSDDMVUXQEY-UHFFFAOYSA-N 1 1 484.625 4.182 50 0 JIAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cccc3c2SCCC3=O)CC1 ZINC000021103132 195276844 /nfs/dbraw/zinc/27/68/44/195276844.db2.gz YWVPZOVVMPOOJO-UHFFFAOYSA-N 1 1 458.027 4.269 50 0 JIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)sc2C1 ZINC000021296955 195293387 /nfs/dbraw/zinc/29/33/87/195293387.db2.gz JTZAZHXILQLZDE-UHFFFAOYSA-N 1 1 454.556 4.222 50 0 JIAAMO CC[N@H+]1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)sc2C1 ZINC000021296955 195293388 /nfs/dbraw/zinc/29/33/88/195293388.db2.gz JTZAZHXILQLZDE-UHFFFAOYSA-N 1 1 454.556 4.222 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934576 195335994 /nfs/dbraw/zinc/33/59/94/195335994.db2.gz NZAGOKLXQFWNOM-UHFFFAOYSA-N 1 1 469.564 4.378 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@H+](C)Cc1ccc(SC)cc1 ZINC000021581401 195317376 /nfs/dbraw/zinc/31/73/76/195317376.db2.gz CZWKQRZOVBOEQE-UHFFFAOYSA-N 1 1 491.679 4.052 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@@H+](C)Cc1ccc(SC)cc1 ZINC000021581401 195317378 /nfs/dbraw/zinc/31/73/78/195317378.db2.gz CZWKQRZOVBOEQE-UHFFFAOYSA-N 1 1 491.679 4.052 50 0 JIAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)CO[C@@H](c3ccccc3)c3ccccc3C)CC2)cc1 ZINC000023389329 518351116 /nfs/dbraw/zinc/35/11/16/518351116.db2.gz RRILBAJUSDBCJQ-YTMVLYRLSA-N 1 1 458.602 4.487 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)CCC3)CC[N@H+](Cc1ccccc1)C2 ZINC000033277353 519868989 /nfs/dbraw/zinc/86/89/89/519868989.db2.gz FFCITARSDPQTJP-UHFFFAOYSA-N 1 1 456.590 4.052 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)CCC3)CC[N@@H+](Cc1ccccc1)C2 ZINC000033277353 519868990 /nfs/dbraw/zinc/86/89/90/519868990.db2.gz FFCITARSDPQTJP-UHFFFAOYSA-N 1 1 456.590 4.052 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036306349 520151871 /nfs/dbraw/zinc/15/18/71/520151871.db2.gz GLCOHEAKIAOAIB-JOCHJYFZSA-N 1 1 453.583 4.034 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000036305607 520154847 /nfs/dbraw/zinc/15/48/47/520154847.db2.gz OTYXDKPKHYRVPC-RDGATRHJSA-N 1 1 495.620 4.266 50 0 JIAAMO CCC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC1CC1 ZINC000036309554 520798758 /nfs/dbraw/zinc/79/87/58/520798758.db2.gz KSPOAOFVXHDJFI-QPPBQGQZSA-N 1 1 456.652 4.434 50 0 JIAAMO CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CC[NH+](CCC)CC3)cc21 ZINC000008596209 521391447 /nfs/dbraw/zinc/39/14/47/521391447.db2.gz OAZGKHDVXZLRDL-UHFFFAOYSA-N 1 1 485.625 4.306 50 0 JIAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060384 522167618 /nfs/dbraw/zinc/16/76/18/522167618.db2.gz CBWXPSOCMALAAZ-QGZVFWFLSA-N 1 1 457.987 4.084 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036302873 522639067 /nfs/dbraw/zinc/63/90/67/522639067.db2.gz FJJOGOBJJIYGFA-HSZRJFAPSA-N 1 1 467.610 4.461 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036302873 522639076 /nfs/dbraw/zinc/63/90/76/522639076.db2.gz FJJOGOBJJIYGFA-HSZRJFAPSA-N 1 1 467.610 4.461 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131364 523020021 /nfs/dbraw/zinc/02/00/21/523020021.db2.gz CECLSBBWZUNIQO-IBGZPJMESA-N 1 1 470.079 4.289 50 0 JIAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000016631361 523309817 /nfs/dbraw/zinc/30/98/17/523309817.db2.gz BGMXRCDWZQNIMF-OAQYLSRUSA-N 1 1 451.519 4.090 50 0 JIAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000016631361 523309822 /nfs/dbraw/zinc/30/98/22/523309822.db2.gz BGMXRCDWZQNIMF-OAQYLSRUSA-N 1 1 451.519 4.090 50 0 JIAAMO COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014747320 523354742 /nfs/dbraw/zinc/35/47/42/523354742.db2.gz OCFIXDGWZFGIRS-LEWJYISDSA-N 1 1 464.528 4.375 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036305987 523735999 /nfs/dbraw/zinc/73/59/99/523735999.db2.gz WHGJLGKMWKYAJO-JOCHJYFZSA-N 1 1 483.609 4.122 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036341300 523877098 /nfs/dbraw/zinc/87/70/98/523877098.db2.gz CADHDVLJBGPVCL-MUUNZHRXSA-N 1 1 486.591 4.330 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036256835 524103764 /nfs/dbraw/zinc/10/37/64/524103764.db2.gz OVAKCEBGXRURCR-PXDATVDWSA-N 1 1 489.104 4.037 50 0 JIAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000035456495 524526912 /nfs/dbraw/zinc/52/69/12/524526912.db2.gz AZNHWTGTWWBHLY-UHFFFAOYSA-N 1 1 498.558 4.255 50 0 JIAAMO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000035456495 524526928 /nfs/dbraw/zinc/52/69/28/524526928.db2.gz AZNHWTGTWWBHLY-UHFFFAOYSA-N 1 1 498.558 4.255 50 0 JIAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)CSc2nc(C)cs2)Cc2ccccc2O1 ZINC000014952887 524761485 /nfs/dbraw/zinc/76/14/85/524761485.db2.gz MOLYAJKIOVSZDT-QFIPXVFZSA-N 1 1 469.632 4.304 50 0 JIAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)CSc2nc(C)cs2)Cc2ccccc2O1 ZINC000014952887 524761495 /nfs/dbraw/zinc/76/14/95/524761495.db2.gz MOLYAJKIOVSZDT-QFIPXVFZSA-N 1 1 469.632 4.304 50 0 JIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@H](O)COC(C)C)cc1 ZINC000036309094 525441277 /nfs/dbraw/zinc/44/12/77/525441277.db2.gz JHTRXDIXZHKHOX-DHLKQENFSA-N 1 1 488.694 4.305 50 0 JIAAMO COc1cccc(C(=O)N2CCC([C@H](Cc3ccccc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1 ZINC000014991280 525796866 /nfs/dbraw/zinc/79/68/66/525796866.db2.gz KGOCNFBTLBJXBZ-MHZLTWQESA-N 1 1 460.622 4.333 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146859 525924873 /nfs/dbraw/zinc/92/48/73/525924873.db2.gz WYVSJIRABXPAHG-JYFHCDHNSA-N 1 1 464.537 4.269 50 0 JIAAMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000022800455 525954492 /nfs/dbraw/zinc/95/44/92/525954492.db2.gz KTGFWFYTMDZCNT-QFIPXVFZSA-N 1 1 478.593 4.262 50 0 JIAAMO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022790608 526168385 /nfs/dbraw/zinc/16/83/85/526168385.db2.gz DQADIFXPTXKUKH-HXUWFJFHSA-N 1 1 468.667 4.087 50 0 JIAAMO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022790608 526168392 /nfs/dbraw/zinc/16/83/92/526168392.db2.gz DQADIFXPTXKUKH-HXUWFJFHSA-N 1 1 468.667 4.087 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027994 526247391 /nfs/dbraw/zinc/24/73/91/526247391.db2.gz ZZYRKPSABBVZTO-IBGZPJMESA-N 1 1 493.633 4.364 50 0 JIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)[nH+]1 ZINC000021794507 527002904 /nfs/dbraw/zinc/00/29/04/527002904.db2.gz XIWRWFYHRXKWFI-UHFFFAOYSA-N 1 1 468.355 4.380 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)c1cccc(C(F)(F)F)c1 ZINC000020412742 527667035 /nfs/dbraw/zinc/66/70/35/527667035.db2.gz HJUKQQXQGYFPBD-UHFFFAOYSA-N 1 1 457.899 4.436 50 0 JIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000014888320 527691843 /nfs/dbraw/zinc/69/18/43/527691843.db2.gz RQDSZKNUASIRCT-VWLOTQADSA-N 1 1 492.595 4.192 50 0 JIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000000970742 553887182 /nfs/dbraw/zinc/88/71/82/553887182.db2.gz NMWGBMCKLXFLQQ-HXUWFJFHSA-N 1 1 453.951 4.463 50 0 JIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000000970742 553887183 /nfs/dbraw/zinc/88/71/83/553887183.db2.gz NMWGBMCKLXFLQQ-HXUWFJFHSA-N 1 1 453.951 4.463 50 0 JIAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002103532 554044216 /nfs/dbraw/zinc/04/42/16/554044216.db2.gz GGSSOHAHFTZPNA-OLLUBJOZSA-N 1 1 462.631 4.077 50 0 JIAAMO CCCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002103532 554044217 /nfs/dbraw/zinc/04/42/17/554044217.db2.gz GGSSOHAHFTZPNA-OLLUBJOZSA-N 1 1 462.631 4.077 50 0 JIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000008771725 554671458 /nfs/dbraw/zinc/67/14/58/554671458.db2.gz IZELLMFBPSIBTN-JOCHJYFZSA-N 1 1 463.559 4.126 50 0 JIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000008771725 554671460 /nfs/dbraw/zinc/67/14/60/554671460.db2.gz IZELLMFBPSIBTN-JOCHJYFZSA-N 1 1 463.559 4.126 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000008876916 554772054 /nfs/dbraw/zinc/77/20/54/554772054.db2.gz FNTUZDZZNKRCDD-FQEVSTJZSA-N 1 1 467.031 4.432 50 0 JIAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)C1 ZINC000008878413 554774072 /nfs/dbraw/zinc/77/40/72/554774072.db2.gz MYYFTXDEUWGRON-CTNGQTDRSA-N 1 1 454.526 4.120 50 0 biogenic JIAAMO NC(=O)C[NH+]1CCC(Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000008938018 554830915 /nfs/dbraw/zinc/83/09/15/554830915.db2.gz QCPAUALAIYZBSI-UHFFFAOYSA-N 1 1 488.082 4.487 50 0 JIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000009115356 554902164 /nfs/dbraw/zinc/90/21/64/554902164.db2.gz ZHGFIVDDKWVAIX-UHFFFAOYSA-N 1 1 482.650 4.404 50 0 JIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000009115356 554902165 /nfs/dbraw/zinc/90/21/65/554902165.db2.gz ZHGFIVDDKWVAIX-UHFFFAOYSA-N 1 1 482.650 4.404 50 0 JIAAMO CC[NH+](CC)c1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1 ZINC000009185385 554958018 /nfs/dbraw/zinc/95/80/18/554958018.db2.gz HZEFSWGCHVMIPW-UHFFFAOYSA-N 1 1 481.394 4.304 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000009212133 554982792 /nfs/dbraw/zinc/98/27/92/554982792.db2.gz HOBQHZSUGLUZRW-QFIPXVFZSA-N 1 1 481.618 4.146 50 0 JIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009345352 555111311 /nfs/dbraw/zinc/11/13/11/555111311.db2.gz ZNWXLCGDCZSTCI-FTJBHMTQSA-N 1 1 496.523 4.295 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000009377524 555139154 /nfs/dbraw/zinc/13/91/54/555139154.db2.gz BLJGVAGTZBAXBP-OAHLLOKOSA-N 1 1 488.437 4.059 50 0 JIAAMO Cc1c(C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000009405744 555165070 /nfs/dbraw/zinc/16/50/70/555165070.db2.gz IGPLKGCETNYWFD-UHFFFAOYSA-N 1 1 468.623 4.260 50 0 JIAAMO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)oc3nc2c1 ZINC000009678182 555402484 /nfs/dbraw/zinc/40/24/84/555402484.db2.gz HKJLOVXZEAKZHH-UHFFFAOYSA-N 1 1 462.525 4.071 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000019898861 555534460 /nfs/dbraw/zinc/53/44/60/555534460.db2.gz OPGHBCLDHNAEJD-UHFFFAOYSA-N 1 1 454.368 4.116 50 0 JIAAMO Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)c1 ZINC000020034462 555609159 /nfs/dbraw/zinc/60/91/59/555609159.db2.gz TWIFJHYVLLDHQU-UIOOFZCWSA-N 1 1 498.708 4.347 50 0 biogenic JIAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109060 555644578 /nfs/dbraw/zinc/64/45/78/555644578.db2.gz IWMHQIZAKPNQKC-RRPNLBNLSA-N 1 1 487.575 4.089 50 0 JIAAMO O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020266214 555748391 /nfs/dbraw/zinc/74/83/91/555748391.db2.gz KEPHIBFNQCBGJC-UHFFFAOYSA-N 1 1 489.641 4.019 50 0 JIAAMO COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000020289738 555761259 /nfs/dbraw/zinc/76/12/59/555761259.db2.gz RJMSJXSVHYFSBW-DFBJGRDBSA-N 1 1 465.619 4.447 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4CC[NH+](C5CCCCC5)CC4)c3=O)c2c1 ZINC000020331636 555776933 /nfs/dbraw/zinc/77/69/33/555776933.db2.gz YZLFMKLSFKOYGD-UHFFFAOYSA-N 1 1 497.665 4.196 50 0 JIAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(C)cc2C)cn3CC)CC1 ZINC000020530692 555798188 /nfs/dbraw/zinc/79/81/88/555798188.db2.gz FJRCWQCGENQHDI-UHFFFAOYSA-N 1 1 485.625 4.142 50 0 JIAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020581343 555834951 /nfs/dbraw/zinc/83/49/51/555834951.db2.gz HISJIFVISDPLQM-HXUWFJFHSA-N 1 1 481.618 4.118 50 0 JIAAMO COc1cccc(-n2c(SCC[NH+]3CCCC3)nnc2C2CCN(Cc3ccccn3)CC2)c1 ZINC000011909048 555856014 /nfs/dbraw/zinc/85/60/14/555856014.db2.gz KDQUCMJIFRLEDT-UHFFFAOYSA-N 1 1 478.666 4.238 50 0 JIAAMO CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)N(C)C[C@H]2CCC[N@H+](CC)C2)c1 ZINC000011911710 555859562 /nfs/dbraw/zinc/85/95/62/555859562.db2.gz BCNPCGPJXDXTON-OAQYLSRUSA-N 1 1 475.637 4.317 50 0 JIAAMO CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)OC)C1 ZINC000011912633 555861669 /nfs/dbraw/zinc/86/16/69/555861669.db2.gz LEXFFKMRKXLUMP-WIOPSUGQSA-N 1 1 483.628 4.190 50 0 JIAAMO CCOc1ccccc1CN1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)OC)C1 ZINC000011912633 555861673 /nfs/dbraw/zinc/86/16/73/555861673.db2.gz LEXFFKMRKXLUMP-WIOPSUGQSA-N 1 1 483.628 4.190 50 0 JIAAMO CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4OC)CC3)[C@@H](CCC(=O)OC)C2)cc1 ZINC000011913313 555863028 /nfs/dbraw/zinc/86/30/28/555863028.db2.gz QNWKUSBOHJKMIR-AZGAKELHSA-N 1 1 495.664 4.060 50 0 JIAAMO CCOc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)[C@@H](CCC(=O)OC)C2)cc1 ZINC000011913313 555863034 /nfs/dbraw/zinc/86/30/34/555863034.db2.gz QNWKUSBOHJKMIR-AZGAKELHSA-N 1 1 495.664 4.060 50 0 JIAAMO C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000011975278 555875546 /nfs/dbraw/zinc/87/55/46/555875546.db2.gz BVEYPAWZLWFWNM-INIZCTEOSA-N 1 1 494.571 4.229 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000012140910 555920108 /nfs/dbraw/zinc/92/01/08/555920108.db2.gz BARNWQKZCSLBIU-UHFFFAOYSA-N 1 1 481.590 4.113 50 0 JIAAMO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012158890 555929598 /nfs/dbraw/zinc/92/95/98/555929598.db2.gz OJBGCYOAJINTHQ-JOCHJYFZSA-N 1 1 476.606 4.180 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](c3nc(SCc4cccnc4)ncc3C)C2)CC1 ZINC000012161040 555931028 /nfs/dbraw/zinc/93/10/28/555931028.db2.gz YBZJXMZQOXNLMP-FQEVSTJZSA-N 1 1 455.628 4.273 50 0 JIAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@H](C)C2 ZINC000022920699 555974601 /nfs/dbraw/zinc/97/46/01/555974601.db2.gz MIKSVMKRCAABTA-RBUKOAKNSA-N 1 1 469.651 4.194 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022928494 555979417 /nfs/dbraw/zinc/97/94/17/555979417.db2.gz MMLZOHRQCQHDQG-DENIHFKCSA-N 1 1 464.635 4.011 50 0 JIAAMO Cc1cccc(C)c1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000015821757 556010189 /nfs/dbraw/zinc/01/01/89/556010189.db2.gz KFNSDFZBZIFWOD-UHFFFAOYSA-N 1 1 491.657 4.003 50 0 JIAAMO Cc1ccc2[nH]c3c(ncn(CC(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3=O)c2c1 ZINC000023125586 556014114 /nfs/dbraw/zinc/01/41/14/556014114.db2.gz ASRXNGJHGFDAIN-UHFFFAOYSA-N 1 1 491.595 4.120 50 0 JIAAMO Cc1cnc2c(cccc2S(=O)(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012554319 556038600 /nfs/dbraw/zinc/03/86/00/556038600.db2.gz YPMWAGAMVYHMAJ-UHFFFAOYSA-N 1 1 463.525 4.459 50 0 JIAAMO Cc1cnc2c(cccc2S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012554319 556038604 /nfs/dbraw/zinc/03/86/04/556038604.db2.gz YPMWAGAMVYHMAJ-UHFFFAOYSA-N 1 1 463.525 4.459 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000015959195 556090974 /nfs/dbraw/zinc/09/09/74/556090974.db2.gz XBZFWBUPXLINMY-FCLIQBFMSA-N 1 1 477.564 4.318 50 0 JIAAMO COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000015990239 556102239 /nfs/dbraw/zinc/10/22/39/556102239.db2.gz VTNJXFGOJXUSFF-QUMGSSFMSA-N 1 1 464.521 4.089 50 0 JIAAMO COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000015990239 556102243 /nfs/dbraw/zinc/10/22/43/556102243.db2.gz VTNJXFGOJXUSFF-QUMGSSFMSA-N 1 1 464.521 4.089 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010263 556109837 /nfs/dbraw/zinc/10/98/37/556109837.db2.gz KXOXXXPWMZQJKL-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010263 556109840 /nfs/dbraw/zinc/10/98/40/556109840.db2.gz KXOXXXPWMZQJKL-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)[nH+]1 ZINC000024023168 556117026 /nfs/dbraw/zinc/11/70/26/556117026.db2.gz JELGNMUWNMUJPA-UHFFFAOYSA-N 1 1 452.356 4.254 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891231 556172629 /nfs/dbraw/zinc/17/26/29/556172629.db2.gz WUZMFGMSRWJWLQ-UQBPGWFLSA-N 1 1 465.619 4.447 50 0 JIAAMO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1Br ZINC000012981111 556174300 /nfs/dbraw/zinc/17/43/00/556174300.db2.gz KLXKINSYIINUFD-UHFFFAOYSA-N 1 1 487.167 4.250 50 0 JIAAMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1Br ZINC000012981111 556174303 /nfs/dbraw/zinc/17/43/03/556174303.db2.gz KLXKINSYIINUFD-UHFFFAOYSA-N 1 1 487.167 4.250 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000017012871 556203069 /nfs/dbraw/zinc/20/30/69/556203069.db2.gz WLAXKPHNIKTEGU-UHFFFAOYSA-N 1 1 459.575 4.193 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@@H](O)COCc1ccc3c(c1)OCO3)CC2 ZINC000025661241 556228843 /nfs/dbraw/zinc/22/88/43/556228843.db2.gz UMLPUBLNBXHPFF-NIYFSFCBSA-N 1 1 483.586 4.019 50 0 JIAAMO Cc1nc(COc2ccc(/C=C/C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)cs1 ZINC000029717221 556356120 /nfs/dbraw/zinc/35/61/20/556356120.db2.gz ZCJRUHDJENGYJN-DHZHZOJOSA-N 1 1 463.603 4.192 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000019809312 556380321 /nfs/dbraw/zinc/38/03/21/556380321.db2.gz PNLMYPJGYHIQFD-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 JIAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032593952 556448154 /nfs/dbraw/zinc/44/81/54/556448154.db2.gz MORCRDPDUZIXBJ-HXUWFJFHSA-N 1 1 453.926 4.333 50 0 JIAAMO O=C(CCCNC(=O)c1ccco1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809448 556499289 /nfs/dbraw/zinc/49/92/89/556499289.db2.gz BYARCGLKOLPMGH-UHFFFAOYSA-N 1 1 455.555 4.002 50 0 JIAAMO CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@H]4C[N@@H+]4C[C@@H](C)CC[C@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000038140882 563131250 /nfs/dbraw/zinc/13/12/50/563131250.db2.gz LCJGVSFMDQXVDC-ZEHGFQGMSA-N 1 1 471.682 4.457 50 0 biogenic JIAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1 ZINC000056928510 569592506 /nfs/dbraw/zinc/59/25/06/569592506.db2.gz CDGQBOGSWKXIRY-UHFFFAOYSA-N 1 1 492.711 4.466 50 0 JIAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1 ZINC000056928510 569592507 /nfs/dbraw/zinc/59/25/07/569592507.db2.gz CDGQBOGSWKXIRY-UHFFFAOYSA-N 1 1 492.711 4.466 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999516 569610064 /nfs/dbraw/zinc/61/00/64/569610064.db2.gz XBZFWBUPXLINMY-XSHKJCDBSA-N 1 1 477.564 4.318 50 0 biogenic JIAAMO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cc3)c2cc1C ZINC000033006079 569614592 /nfs/dbraw/zinc/61/45/92/569614592.db2.gz KURWAGXKQISIEU-OAQYLSRUSA-N 1 1 460.622 4.364 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000062734711 569614653 /nfs/dbraw/zinc/61/46/53/569614653.db2.gz QIVZVRDUDLFRCD-UHFFFAOYSA-N 1 1 493.629 4.188 50 0 JIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)Nc1ccc(Br)cc1 ZINC000033331760 569624390 /nfs/dbraw/zinc/62/43/90/569624390.db2.gz SHGONMVJJLCSKA-UHFFFAOYSA-N 1 1 485.407 4.234 50 0 JIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccc(Br)cc1 ZINC000033331760 569624391 /nfs/dbraw/zinc/62/43/91/569624391.db2.gz SHGONMVJJLCSKA-UHFFFAOYSA-N 1 1 485.407 4.234 50 0 JIAAMO C[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023502 569649847 /nfs/dbraw/zinc/64/98/47/569649847.db2.gz LIQRXFVKWIKUQL-QHCPKHFHSA-N 1 1 461.585 4.137 50 0 JIAAMO COc1ccc(C[N@@H+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)C[C@@H]2C)c(OC)c1 ZINC000034707987 569650196 /nfs/dbraw/zinc/65/01/96/569650196.db2.gz AJFSAPKUZXUAPW-SFHVURJKSA-N 1 1 484.560 4.265 50 0 JIAAMO COc1ccc(C[N@H+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)C[C@@H]2C)c(OC)c1 ZINC000034707987 569650197 /nfs/dbraw/zinc/65/01/97/569650197.db2.gz AJFSAPKUZXUAPW-SFHVURJKSA-N 1 1 484.560 4.265 50 0 JIAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4F)C3=O)c2)CC1 ZINC000034761839 569657965 /nfs/dbraw/zinc/65/79/65/569657965.db2.gz XDYDVXVZMPUKOA-XKZIYDEJSA-N 1 1 485.556 4.368 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@H](C)C1 ZINC000034829792 569663339 /nfs/dbraw/zinc/66/33/39/569663339.db2.gz BFCATSRURMDIIV-JIPXPUAJSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@H](C)C1 ZINC000034829792 569663340 /nfs/dbraw/zinc/66/33/40/569663340.db2.gz BFCATSRURMDIIV-JIPXPUAJSA-N 1 1 473.642 4.377 50 0 JIAAMO CCCC(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830372 569663807 /nfs/dbraw/zinc/66/38/07/569663807.db2.gz LSWKODPASKEENZ-NLFFAJNJSA-N 1 1 453.652 4.254 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCCCC3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919522 569672102 /nfs/dbraw/zinc/67/21/02/569672102.db2.gz IAVNILYDAZGIKH-NRFANRHFSA-N 1 1 498.693 4.387 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000035363863 569682640 /nfs/dbraw/zinc/68/26/40/569682640.db2.gz OEMOBXILVBMUHM-FKPFRUIKSA-N 1 1 477.564 4.318 50 0 biogenic JIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000035454750 569697593 /nfs/dbraw/zinc/69/75/93/569697593.db2.gz AHKRTJMBYGVAQT-SFHVURJKSA-N 1 1 486.657 4.491 50 0 JIAAMO Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1NC(=O)c1ccccc1F ZINC000078720392 569706524 /nfs/dbraw/zinc/70/65/24/569706524.db2.gz KIRXXLJSKNCJPY-OAQYLSRUSA-N 1 1 488.563 4.336 50 0 JIAAMO Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1NC(=O)c1ccccc1F ZINC000078720390 569706542 /nfs/dbraw/zinc/70/65/42/569706542.db2.gz KIRXXLJSKNCJPY-NRFANRHFSA-N 1 1 488.563 4.336 50 0 JIAAMO COc1ccc(Cn2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3c2=O)cc1 ZINC000079192896 569707309 /nfs/dbraw/zinc/70/73/09/569707309.db2.gz MWDYXKFEYGBVQJ-HFZDXXHNSA-N 1 1 459.590 4.053 50 0 biogenic JIAAMO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095348743 569722428 /nfs/dbraw/zinc/72/24/28/569722428.db2.gz YJQJGKMTTCOVPE-UANIKKFDSA-N 1 1 488.676 4.236 50 0 JIAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000035908097 569723854 /nfs/dbraw/zinc/72/38/54/569723854.db2.gz TWAAQJYFTSRTQK-ISKFKSNPSA-N 1 1 475.555 4.220 50 0 JIAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc(C)[nH+]2)cc1 ZINC000096646355 569742761 /nfs/dbraw/zinc/74/27/61/569742761.db2.gz SRSUALCCCXQQPQ-UHFFFAOYSA-N 1 1 457.987 4.001 50 0 JIAAMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250187 569758067 /nfs/dbraw/zinc/75/80/67/569758067.db2.gz LNLVNOGMUSUONS-XMSQKQJNSA-N 1 1 465.560 4.423 50 0 JIAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)COCc1ccccc1 ZINC000036312932 569760455 /nfs/dbraw/zinc/76/04/55/569760455.db2.gz PNSSIDMAJDDMMN-VWLOTQADSA-N 1 1 479.621 4.358 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1 ZINC000036316004 569761897 /nfs/dbraw/zinc/76/18/97/569761897.db2.gz VNMHTIHFESXRQI-JOCHJYFZSA-N 1 1 453.583 4.034 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3OC)C2)c1 ZINC000036341445 569764577 /nfs/dbraw/zinc/76/45/77/569764577.db2.gz VSSRZSFBBAWTGP-NDEPHWFRSA-N 1 1 498.627 4.199 50 0 JIAAMO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344045 569766729 /nfs/dbraw/zinc/76/67/29/569766729.db2.gz HPADYEAMRDEYGX-XMMPIXPASA-N 1 1 451.567 4.266 50 0 JIAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000036344313 569766921 /nfs/dbraw/zinc/76/69/21/569766921.db2.gz VWGKVMZFINSQAS-MHZLTWQESA-N 1 1 468.601 4.191 50 0 JIAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)c2nc(-c3ccco3)nc3ccccc32)CC1 ZINC000037383352 569785347 /nfs/dbraw/zinc/78/53/47/569785347.db2.gz GGUUZUNASBVBFR-UHFFFAOYSA-N 1 1 459.550 4.044 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343453 569793597 /nfs/dbraw/zinc/79/35/97/569793597.db2.gz UGKUDNJFAPISPO-FLFXDLLNSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1OC ZINC000038546433 569803106 /nfs/dbraw/zinc/80/31/06/569803106.db2.gz BSHRRHGJOCIPLU-QFIPXVFZSA-N 1 1 455.580 4.256 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1C ZINC000040051263 569814981 /nfs/dbraw/zinc/81/49/81/569814981.db2.gz FBVWDCMDDXQTLX-GOSISDBHSA-N 1 1 467.060 4.220 50 0 JIAAMO COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)[NH+]1CCCCC1 ZINC000040156816 569821307 /nfs/dbraw/zinc/82/13/07/569821307.db2.gz FFLPMZYMEVRXCV-QFIPXVFZSA-N 1 1 480.996 4.160 50 0 JIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[C@H]3CCC[N@H+]3C)N2[C@@H]1c1ccccc1Cl ZINC000102940425 569829442 /nfs/dbraw/zinc/82/94/42/569829442.db2.gz XENKHXIEDMXBBM-OPAMFIHVSA-N 1 1 489.041 4.079 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COCC(C)C)C2)cc1 ZINC000104983730 569848337 /nfs/dbraw/zinc/84/83/37/569848337.db2.gz PIDGJQBVZXRASR-LADGPHEKSA-N 1 1 461.002 4.377 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821877 570041342 /nfs/dbraw/zinc/04/13/42/570041342.db2.gz HAJLBFVOORQWHU-AZUAARDMSA-N 1 1 464.591 4.400 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821877 570041344 /nfs/dbraw/zinc/04/13/44/570041344.db2.gz HAJLBFVOORQWHU-AZUAARDMSA-N 1 1 464.591 4.400 50 0 JIAAMO O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000239284841 570050080 /nfs/dbraw/zinc/05/00/80/570050080.db2.gz CDPOFXVLELFQGF-SZMVWBNQSA-N 1 1 498.347 4.226 50 0 JIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccco1 ZINC000245343400 570067207 /nfs/dbraw/zinc/06/72/07/570067207.db2.gz NUYDYOAYFJRNKZ-UQBPGWFLSA-N 1 1 463.603 4.052 50 0 JIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccco1 ZINC000245343399 570067228 /nfs/dbraw/zinc/06/72/28/570067228.db2.gz NUYDYOAYFJRNKZ-KBMIEXCESA-N 1 1 463.603 4.052 50 0 JIAAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC000247901072 570070925 /nfs/dbraw/zinc/07/09/25/570070925.db2.gz VXTSVLCIBCNHMM-URXFXBBRSA-N 1 1 453.579 4.257 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000248024838 570072829 /nfs/dbraw/zinc/07/28/29/570072829.db2.gz LASYVCZLLXUQJL-SFHVURJKSA-N 1 1 486.447 4.441 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000248028639 570073036 /nfs/dbraw/zinc/07/30/36/570073036.db2.gz WVUGDFUNZXJIFI-OAQYLSRUSA-N 1 1 463.601 4.317 50 0 JIAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248097296 570074013 /nfs/dbraw/zinc/07/40/13/570074013.db2.gz YQHIRYWMWGPVHY-JOCHJYFZSA-N 1 1 459.638 4.258 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000248093049 570074020 /nfs/dbraw/zinc/07/40/20/570074020.db2.gz WJWZKVIZRNNVMB-LJQANCHMSA-N 1 1 485.554 4.153 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000248119382 570074542 /nfs/dbraw/zinc/07/45/42/570074542.db2.gz UQHJUNQSIMWCEZ-YGOYIFOWSA-N 1 1 469.651 4.056 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248124116 570074599 /nfs/dbraw/zinc/07/45/99/570074599.db2.gz UAKKRJAFLXLMDG-HSZRJFAPSA-N 1 1 459.638 4.486 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)nc2ccccc21 ZINC000249684636 570078615 /nfs/dbraw/zinc/07/86/15/570078615.db2.gz DVGREMZLVQSEMA-HSZRJFAPSA-N 1 1 459.638 4.234 50 0 JIAAMO COc1ccc([C@H]2[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3C(=O)N2C)cc1 ZINC000253410095 570097616 /nfs/dbraw/zinc/09/76/16/570097616.db2.gz MVQUCZQSOGSQBX-BECWTDFISA-N 1 1 475.633 4.329 50 0 JIAAMO O=C([C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000299759266 570174557 /nfs/dbraw/zinc/17/45/57/570174557.db2.gz FBRZCSVOTRNCMB-RTWAWAEBSA-N 1 1 468.516 4.439 50 0 JIAAMO O=C([C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000299759266 570174559 /nfs/dbraw/zinc/17/45/59/570174559.db2.gz FBRZCSVOTRNCMB-RTWAWAEBSA-N 1 1 468.516 4.439 50 0 JIAAMO NS(=O)(=O)c1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000001447672 194122766 /nfs/dbraw/zinc/12/27/66/194122766.db2.gz ONVBSULXANDICA-UHFFFAOYSA-N 1 1 469.570 4.390 50 0 JIAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000002960546 194181660 /nfs/dbraw/zinc/18/16/60/194181660.db2.gz OXWJJWSYTHJQNV-XMMPIXPASA-N 1 1 453.590 4.500 50 0 JIAAMO C[N@@H+](CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670372 194358011 /nfs/dbraw/zinc/35/80/11/194358011.db2.gz PTCFZVINMUHCGB-VWLOTQADSA-N 1 1 499.398 4.439 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000012598806 195044103 /nfs/dbraw/zinc/04/41/03/195044103.db2.gz ATVMIUGYYXTXLY-RBBKRZOGSA-N 1 1 482.506 4.316 50 0 JIAAMO O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012642219 195071786 /nfs/dbraw/zinc/07/17/86/195071786.db2.gz UBGUKOBUVGPLDN-NRFANRHFSA-N 1 1 489.670 4.402 50 0 JIAAMO O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012642213 195071897 /nfs/dbraw/zinc/07/18/97/195071897.db2.gz UBGUKOBUVGPLDN-OAQYLSRUSA-N 1 1 489.670 4.402 50 0 JIAAMO COc1ccc([C@@H]2C[C@@H]3C[C@@H](COC(=O)c4cc(OC)c(OC)c(OC)c4)CC[N@H+]3C2)cc1 ZINC000012660251 195080170 /nfs/dbraw/zinc/08/01/70/195080170.db2.gz VEJCWCSDKURLNQ-WMQCIHAUSA-N 1 1 455.551 4.146 50 0 biogenic JIAAMO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(Br)cc1 ZINC000012782112 195124920 /nfs/dbraw/zinc/12/49/20/195124920.db2.gz JICKYCUAFXALRM-UHFFFAOYSA-N 1 1 468.277 4.119 50 0 JIAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(Br)cc1 ZINC000012782112 195124922 /nfs/dbraw/zinc/12/49/22/195124922.db2.gz JICKYCUAFXALRM-UHFFFAOYSA-N 1 1 468.277 4.119 50 0 JIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 ZINC000012822563 195150111 /nfs/dbraw/zinc/15/01/11/195150111.db2.gz RBDOJGYTXSETPK-UHFFFAOYSA-N 1 1 467.573 4.291 50 0 JIAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000012873835 195164813 /nfs/dbraw/zinc/16/48/13/195164813.db2.gz NAQCHPCOUGKPGN-VWLOTQADSA-N 1 1 499.658 4.249 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@H](c2ccco2)[NH+](C)C)C1=O ZINC000020647147 195195179 /nfs/dbraw/zinc/19/51/79/195195179.db2.gz WCFONJJQPYVTGZ-LUDQZLGDSA-N 1 1 465.937 4.362 50 0 JIAAMO Cc1oc2c(cc3c(C)c(CC(=O)N4CC[NH+](CCc5ccncc5)CC4)c(=O)oc3c2C)c1C ZINC000020624112 195190649 /nfs/dbraw/zinc/19/06/49/195190649.db2.gz AYSPESUSHJDTNK-UHFFFAOYSA-N 1 1 473.573 4.097 50 0 JIAAMO Cc1ccc2c(CC(=O)NCC[N@H+]3Cc4ccccc4O[C@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000020997608 195264851 /nfs/dbraw/zinc/26/48/51/195264851.db2.gz QDBLRZUWHYXRDQ-VWLOTQADSA-N 1 1 474.582 4.458 50 0 JIAAMO Cc1ccc2c(CC(=O)NCC[N@@H+]3Cc4ccccc4O[C@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000020997608 195264854 /nfs/dbraw/zinc/26/48/54/195264854.db2.gz QDBLRZUWHYXRDQ-VWLOTQADSA-N 1 1 474.582 4.458 50 0 JIAAMO Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C[N@H+]4CCc5ccccc5C4)CC3)c2)on1 ZINC000021887431 195325136 /nfs/dbraw/zinc/32/51/36/195325136.db2.gz SJVKVDOVTZFUPF-UHFFFAOYSA-N 1 1 465.619 4.417 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)C1 ZINC000058392750 195378835 /nfs/dbraw/zinc/37/88/35/195378835.db2.gz PGOQKRSGGUXBSO-SELNLUPBSA-N 1 1 480.678 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000058038529 195363282 /nfs/dbraw/zinc/36/32/82/195363282.db2.gz CIRKDOSLJLFKPN-XMMPIXPASA-N 1 1 451.567 4.167 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000058038529 195363285 /nfs/dbraw/zinc/36/32/85/195363285.db2.gz CIRKDOSLJLFKPN-XMMPIXPASA-N 1 1 451.567 4.167 50 0 JIAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000058038529 195363290 /nfs/dbraw/zinc/36/32/90/195363290.db2.gz CIRKDOSLJLFKPN-XMMPIXPASA-N 1 1 451.567 4.167 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000058038529 195363291 /nfs/dbraw/zinc/36/32/91/195363291.db2.gz CIRKDOSLJLFKPN-XMMPIXPASA-N 1 1 451.567 4.167 50 0 JIAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058158518 195367987 /nfs/dbraw/zinc/36/79/87/195367987.db2.gz RCEXHKRCDXGQEG-LJQANCHMSA-N 1 1 450.514 4.043 50 0 JIAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058158518 195367988 /nfs/dbraw/zinc/36/79/88/195367988.db2.gz RCEXHKRCDXGQEG-LJQANCHMSA-N 1 1 450.514 4.043 50 0 JIAAMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)C1 ZINC000062640143 195429144 /nfs/dbraw/zinc/42/91/44/195429144.db2.gz HMVVLSRZNVOKOA-AWEZNQCLSA-N 1 1 480.874 4.257 50 0 JIAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000063513803 195431658 /nfs/dbraw/zinc/43/16/58/195431658.db2.gz ZURAXUDJFAFOPP-UHFFFAOYSA-N 1 1 489.023 4.177 50 0 JIAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)Cc1ccccc1 ZINC000036249346 519717793 /nfs/dbraw/zinc/71/77/93/519717793.db2.gz DTTAABRGNNXGKQ-UHFFFAOYSA-N 1 1 464.585 4.460 50 0 JIAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000014743053 519732685 /nfs/dbraw/zinc/73/26/85/519732685.db2.gz HKINEVVYAOEATD-XZOQPEGZSA-N 1 1 451.586 4.163 50 0 JIAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146159 519757576 /nfs/dbraw/zinc/75/75/76/519757576.db2.gz XXXNFWGBJHDODV-RTWAWAEBSA-N 1 1 474.985 4.097 50 0 JIAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146159 519757578 /nfs/dbraw/zinc/75/75/78/519757578.db2.gz XXXNFWGBJHDODV-RTWAWAEBSA-N 1 1 474.985 4.097 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146345 519880661 /nfs/dbraw/zinc/88/06/61/519880661.db2.gz AUAJDPWEJLRFCX-GMAHTHKFSA-N 1 1 474.985 4.048 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000036304689 520153011 /nfs/dbraw/zinc/15/30/11/520153011.db2.gz YKBJEQMGFMFHRF-HSZRJFAPSA-N 1 1 453.583 4.127 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000036304689 520153019 /nfs/dbraw/zinc/15/30/19/520153019.db2.gz YKBJEQMGFMFHRF-HSZRJFAPSA-N 1 1 453.583 4.127 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COCC(C)C ZINC000036309381 520318752 /nfs/dbraw/zinc/31/87/52/520318752.db2.gz MNLCDKAECTVZEK-UPVQGACJSA-N 1 1 488.694 4.225 50 0 JIAAMO CCCC[N@@H+](C)CCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C ZINC000008596423 520407169 /nfs/dbraw/zinc/40/71/69/520407169.db2.gz MFJDXOFDDJFOMT-UHFFFAOYSA-N 1 1 496.011 4.001 50 0 JIAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309128 520796904 /nfs/dbraw/zinc/79/69/04/520796904.db2.gz ODWRUIWCKMYZIS-QPPBQGQZSA-N 1 1 474.667 4.061 50 0 JIAAMO CCC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)CC1CC1 ZINC000036309346 520797520 /nfs/dbraw/zinc/79/75/20/520797520.db2.gz XDSBKHXICBHPKC-IRLDBZIGSA-N 1 1 472.651 4.135 50 0 JIAAMO CCOC(=O)N1CCC([N@@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CC1 ZINC000014989696 520925546 /nfs/dbraw/zinc/92/55/46/520925546.db2.gz IHWRHBWNPNVYAP-UHFFFAOYSA-N 1 1 453.564 4.484 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CC1 ZINC000014989696 520925553 /nfs/dbraw/zinc/92/55/53/520925553.db2.gz IHWRHBWNPNVYAP-UHFFFAOYSA-N 1 1 453.564 4.484 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036309813 521537116 /nfs/dbraw/zinc/53/71/16/521537116.db2.gz YHWFKWAOHDMXND-OFNKIYASSA-N 1 1 492.657 4.280 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cn(-c4cccc(OC)c4)c(=O)c4ccccc34)cc2)CC1 ZINC000020509085 521688969 /nfs/dbraw/zinc/68/89/69/521688969.db2.gz PPDYGWMNILTBNE-UHFFFAOYSA-N 1 1 496.611 4.389 50 0 JIAAMO COc1cc(C(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022765994 522116105 /nfs/dbraw/zinc/11/61/05/522116105.db2.gz JAWCZWSTZCZSJF-NRFANRHFSA-N 1 1 452.576 4.303 50 0 JIAAMO COc1cc(C(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022765994 522116116 /nfs/dbraw/zinc/11/61/16/522116116.db2.gz JAWCZWSTZCZSJF-NRFANRHFSA-N 1 1 452.576 4.303 50 0 JIAAMO COc1cc(C[N@H+](Cc2cc(=O)n3c(n2)sc2c3CCCC2)CC(C)C)cc(OC)c1OC ZINC000033068991 522358793 /nfs/dbraw/zinc/35/87/93/522358793.db2.gz DMSGTHAFWWPVFE-UHFFFAOYSA-N 1 1 471.623 4.319 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC)C[C@@H]1CCCO1 ZINC000036303028 522642277 /nfs/dbraw/zinc/64/22/77/522642277.db2.gz RRRBXZYWRFBZCO-UPVQGACJSA-N 1 1 465.594 4.215 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC)C[C@@H]1CCCO1 ZINC000036303028 522642286 /nfs/dbraw/zinc/64/22/86/522642286.db2.gz RRRBXZYWRFBZCO-UPVQGACJSA-N 1 1 465.594 4.215 50 0 JIAAMO C[N@@H+](Cc1cccc(OCCNC(=O)[C@@H]2Cc3ccccc3O2)c1)Cc1cccc2cccnc21 ZINC000014988706 523317222 /nfs/dbraw/zinc/31/72/22/523317222.db2.gz JRMSQAXAVWWWOB-MHZLTWQESA-N 1 1 467.569 4.366 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036305740 523735014 /nfs/dbraw/zinc/73/50/14/523735014.db2.gz FDMBBBXBZFZVQC-QHCPKHFHSA-N 1 1 497.636 4.370 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036305737 523735253 /nfs/dbraw/zinc/73/52/53/523735253.db2.gz FDMBBBXBZFZVQC-HSZRJFAPSA-N 1 1 497.636 4.370 50 0 JIAAMO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000033035570 523980297 /nfs/dbraw/zinc/98/02/97/523980297.db2.gz PLLPKBHUACHKBL-VWLOTQADSA-N 1 1 478.637 4.113 50 0 JIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036095884 524014224 /nfs/dbraw/zinc/01/42/24/524014224.db2.gz IPSQHGBKZAVYJT-QFIPXVFZSA-N 1 1 465.546 4.183 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c1 ZINC000014944319 524134427 /nfs/dbraw/zinc/13/44/27/524134427.db2.gz MFNIPGOPRSBYLE-YYZJCXNBSA-N 1 1 496.563 4.134 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c1 ZINC000014944319 524134436 /nfs/dbraw/zinc/13/44/36/524134436.db2.gz MFNIPGOPRSBYLE-YYZJCXNBSA-N 1 1 496.563 4.134 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)N1CC[NH+](CCn2c(-c3ccncc3)nc3cccnc32)CC1 ZINC000033139777 524234397 /nfs/dbraw/zinc/23/43/97/524234397.db2.gz IJILPWHPKQBCMG-UHFFFAOYSA-N 1 1 491.983 4.005 50 0 JIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021872508 524363659 /nfs/dbraw/zinc/36/36/59/524363659.db2.gz ZVFRPZGTJWCXDQ-KDURUIRLSA-N 1 1 452.624 4.103 50 0 JIAAMO Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)c1 ZINC000036188952 524660322 /nfs/dbraw/zinc/66/03/22/524660322.db2.gz FVLBJLIURZSNEM-UHFFFAOYSA-N 1 1 459.587 4.025 50 0 JIAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 ZINC000014749002 524705760 /nfs/dbraw/zinc/70/57/60/524705760.db2.gz OKGIDNOVGUUWFS-OAQYLSRUSA-N 1 1 486.616 4.133 50 0 JIAAMO Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c(C)c1 ZINC000036550238 525197090 /nfs/dbraw/zinc/19/70/90/525197090.db2.gz CFQJYANOZLREKD-RRPNLBNLSA-N 1 1 466.585 4.165 50 0 JIAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3cc(Br)ccc3n2)cc1 ZINC000020368463 525723265 /nfs/dbraw/zinc/72/32/65/525723265.db2.gz MWAQSZLCXZQTKF-UHFFFAOYSA-N 1 1 468.395 4.425 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146963 525923150 /nfs/dbraw/zinc/92/31/50/525923150.db2.gz KBPMFSWVNOWDOG-AHWVRZQESA-N 1 1 460.574 4.439 50 0 JIAAMO COc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000035456504 526181879 /nfs/dbraw/zinc/18/18/79/526181879.db2.gz GJGXUVBNBCKOTG-UHFFFAOYSA-N 1 1 498.558 4.255 50 0 JIAAMO COc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000035456504 526181884 /nfs/dbraw/zinc/18/18/84/526181884.db2.gz GJGXUVBNBCKOTG-UHFFFAOYSA-N 1 1 498.558 4.255 50 0 JIAAMO Cc1nn(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2c3ccccc3sc21 ZINC000020467091 526278839 /nfs/dbraw/zinc/27/88/39/526278839.db2.gz ZOAHRDMZALFHSC-UHFFFAOYSA-N 1 1 460.603 4.044 50 0 JIAAMO O=C1[C@H](Oc2cccc(Cl)c2)[C@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048249000 527115534 /nfs/dbraw/zinc/11/55/34/527115534.db2.gz YKZIWTQQCHZRHK-FCHUYYIVSA-N 1 1 450.913 4.062 50 0 JIAAMO O=c1[nH]c(C[N@@H+](C[C@@H](O)COc2ccccc2)C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000036159817 527435713 /nfs/dbraw/zinc/43/57/13/527435713.db2.gz LNYXCZSEHXTNER-GOSISDBHSA-N 1 1 453.608 4.048 50 0 JIAAMO O=c1[nH]c(C[N@H+](C[C@@H](O)COc2ccccc2)C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000036159817 527435719 /nfs/dbraw/zinc/43/57/19/527435719.db2.gz LNYXCZSEHXTNER-GOSISDBHSA-N 1 1 453.608 4.048 50 0 JIAAMO Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[N@H+]5CCC[C@H]5C4)c(Cl)c3N2)cc1 ZINC000000999529 553898498 /nfs/dbraw/zinc/89/84/98/553898498.db2.gz QJNWUPKMMKZQKJ-ULQDDVLXSA-N 1 1 467.923 4.425 50 0 JIAAMO COc1c(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1Br ZINC000008429897 554582926 /nfs/dbraw/zinc/58/29/26/554582926.db2.gz PLOYHUSTYYBLJO-HNNXBMFYSA-N 1 1 487.217 4.124 50 0 JIAAMO COc1c(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1Br ZINC000008429897 554582927 /nfs/dbraw/zinc/58/29/27/554582927.db2.gz PLOYHUSTYYBLJO-HNNXBMFYSA-N 1 1 487.217 4.124 50 0 JIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000008883398 554778282 /nfs/dbraw/zinc/77/82/82/554778282.db2.gz UWGMPKIFAZQJNR-UHFFFAOYSA-N 1 1 492.620 4.001 50 0 JIAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 ZINC000009115590 554902550 /nfs/dbraw/zinc/90/25/50/554902550.db2.gz GLRNLDDVUKNQJG-MHZLTWQESA-N 1 1 455.418 4.202 50 0 JIAAMO COc1cc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009293575 555069274 /nfs/dbraw/zinc/06/92/74/555069274.db2.gz ZAEMLTMWNQZYSP-JWQCQUIFSA-N 1 1 483.528 4.220 50 0 JIAAMO CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009309632 555084988 /nfs/dbraw/zinc/08/49/88/555084988.db2.gz PRZJRQGKRSDGEK-LOSJGSFVSA-N 1 1 453.502 4.293 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000009377525 555139177 /nfs/dbraw/zinc/13/91/77/555139177.db2.gz BLJGVAGTZBAXBP-HNNXBMFYSA-N 1 1 488.437 4.059 50 0 JIAAMO COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc([NH+]2CCC(C)CC2)cc1)CO3 ZINC000009418340 555185412 /nfs/dbraw/zinc/18/54/12/555185412.db2.gz PNQGQPTZVZQEAK-UHFFFAOYSA-N 1 1 462.546 4.410 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432744 555202203 /nfs/dbraw/zinc/20/22/03/555202203.db2.gz NACLZDDCXPCEKE-BJKOFHAPSA-N 1 1 471.667 4.304 50 0 JIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009482011 555261523 /nfs/dbraw/zinc/26/15/23/555261523.db2.gz JHQOBSUQWKBMOY-OAQYLSRUSA-N 1 1 451.592 4.412 50 0 JIAAMO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000009670128 555386081 /nfs/dbraw/zinc/38/60/81/555386081.db2.gz LMJFMPIDTYDBPK-UHFFFAOYSA-N 1 1 493.629 4.330 50 0 JIAAMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009728972 555463237 /nfs/dbraw/zinc/46/32/37/555463237.db2.gz HVKDUJKRYLRQTN-LJQANCHMSA-N 1 1 477.652 4.097 50 0 JIAAMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009728972 555463241 /nfs/dbraw/zinc/46/32/41/555463241.db2.gz HVKDUJKRYLRQTN-LJQANCHMSA-N 1 1 477.652 4.097 50 0 JIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)C1 ZINC000009731662 555468593 /nfs/dbraw/zinc/46/85/93/555468593.db2.gz GKHPUEVLISYSPC-OAHLLOKOSA-N 1 1 473.422 4.412 50 0 JIAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000009777083 555495649 /nfs/dbraw/zinc/49/56/49/555495649.db2.gz WPJKIZYGZPKGNM-UHFFFAOYSA-N 1 1 462.594 4.281 50 0 JIAAMO CC[C@H](NC(=O)c1sc2ncnc(NCCC[NH+]3CCOCC3)c2c1C)c1cccs1 ZINC000019836572 555507083 /nfs/dbraw/zinc/50/70/83/555507083.db2.gz IXETZBOWGXWDNQ-INIZCTEOSA-N 1 1 459.641 4.077 50 0 JIAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000019857344 555518594 /nfs/dbraw/zinc/51/85/94/555518594.db2.gz ZUEYGJSJWQHDKE-MHZLTWQESA-N 1 1 484.596 4.365 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000009847894 555549719 /nfs/dbraw/zinc/54/97/19/555549719.db2.gz GSYYIBKJDQAZAC-QFIPXVFZSA-N 1 1 496.652 4.343 50 0 JIAAMO Cc1c2ccc3c(c2oc(=O)c1-c1ccc(Cl)cc1)CN(CCC[NH+]1CCOCC1)CO3 ZINC000013721459 555597166 /nfs/dbraw/zinc/59/71/66/555597166.db2.gz REYYTEYNVLZMDZ-UHFFFAOYSA-N 1 1 454.954 4.296 50 0 JIAAMO C[NH+](C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010065938 555613842 /nfs/dbraw/zinc/61/38/42/555613842.db2.gz RRGJRSBRKUYUGR-UHFFFAOYSA-N 1 1 473.554 4.464 50 0 JIAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020153840 555673431 /nfs/dbraw/zinc/67/34/31/555673431.db2.gz UMJGJNMSNVPBIT-UHFFFAOYSA-N 1 1 488.705 4.246 50 0 JIAAMO CCc1cc([C@@H](c2cccc(OC)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218765 555712421 /nfs/dbraw/zinc/71/24/21/555712421.db2.gz OLGKVPDVZOHNQP-RUZDIDTESA-N 1 1 479.646 4.271 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020218851 555712700 /nfs/dbraw/zinc/71/27/00/555712700.db2.gz PXTHRDHTBQTDON-UHFFFAOYSA-N 1 1 491.657 4.265 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H](C)c3cccc(S(N)(=O)=O)c3)c2c1C ZINC000014247098 555750605 /nfs/dbraw/zinc/75/06/05/555750605.db2.gz DQBHOGLKZGYZKF-MRXNPFEDSA-N 1 1 473.668 4.361 50 0 JIAAMO O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000014247288 555750865 /nfs/dbraw/zinc/75/08/65/555750865.db2.gz RXYAUGBPNWEQMI-UHFFFAOYSA-N 1 1 461.631 4.252 50 0 JIAAMO Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020282606 555752509 /nfs/dbraw/zinc/75/25/09/555752509.db2.gz NWUHJYDLXGOQEO-UHFFFAOYSA-N 1 1 471.580 4.429 50 0 JIAAMO C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288388 555757767 /nfs/dbraw/zinc/75/77/67/555757767.db2.gz HPMSDHSJRLGHSD-DVECYGJZSA-N 1 1 497.064 4.086 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NCCC[NH+]4CCCCC4)c3=O)c2c1 ZINC000020329119 555775159 /nfs/dbraw/zinc/77/51/59/555775159.db2.gz JGNYOFDLKUUWDT-UHFFFAOYSA-N 1 1 485.654 4.102 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cc(OC)ccc2OC)CCO3)C1 ZINC000011788838 555823276 /nfs/dbraw/zinc/82/32/76/555823276.db2.gz LMCZGPBEAIQAEM-HSZRJFAPSA-N 1 1 495.664 4.179 50 0 JIAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc4c(c2)Cc2ccccc2-4)CC3)c(C)c1 ZINC000011841938 555834552 /nfs/dbraw/zinc/83/45/52/555834552.db2.gz BKHHRHLODRXNOF-UHFFFAOYSA-N 1 1 491.639 4.497 50 0 JIAAMO COc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@H]2N2CCOCC2)cc1 ZINC000014997139 555842750 /nfs/dbraw/zinc/84/27/50/555842750.db2.gz VPIPQWLDKLQNNT-SQJMNOBHSA-N 1 1 472.029 4.290 50 0 JIAAMO COc1ccc(NC(=O)CC[C@H]2CN(Cc3ccccc3Cl)CC[C@H]2[NH+]2CCOCC2)cc1 ZINC000014997139 555842753 /nfs/dbraw/zinc/84/27/53/555842753.db2.gz VPIPQWLDKLQNNT-SQJMNOBHSA-N 1 1 472.029 4.290 50 0 JIAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCCC[C@H]3C)CC23CCCCC3)cc1 ZINC000020688042 555847343 /nfs/dbraw/zinc/84/73/43/555847343.db2.gz FQUWDKZMTAUNSB-ISKFKSNPSA-N 1 1 470.727 4.385 50 0 JIAAMO COc1ccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@@H]3CCCCC[N@H+]3C)CC2)cc1 ZINC000015068602 555868769 /nfs/dbraw/zinc/86/87/69/555868769.db2.gz ZRAFCTWLHYKFEU-VWLOTQADSA-N 1 1 475.637 4.263 50 0 JIAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(C)c1C ZINC000012001373 555882517 /nfs/dbraw/zinc/88/25/17/555882517.db2.gz MDQRUYHVSNPQML-HSZRJFAPSA-N 1 1 450.627 4.048 50 0 JIAAMO C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000012021448 555885714 /nfs/dbraw/zinc/88/57/14/555885714.db2.gz BRFGNUBNNFAYGR-HNNXBMFYSA-N 1 1 467.545 4.320 50 0 JIAAMO COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)Cc2c(C)[nH]c4ccccc42)CCO3)C1 ZINC000012098549 555905484 /nfs/dbraw/zinc/90/54/84/555905484.db2.gz WPCWXOMXMIEYSQ-QFIPXVFZSA-N 1 1 461.606 4.298 50 0 JIAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000012124496 555910015 /nfs/dbraw/zinc/91/00/15/555910015.db2.gz KNTJGZTWSBFJJR-QGZVFWFLSA-N 1 1 453.537 4.229 50 0 JIAAMO COc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000015594148 555917760 /nfs/dbraw/zinc/91/77/60/555917760.db2.gz ZFHLCNHHOUJFMG-HNNXBMFYSA-N 1 1 483.931 4.399 50 0 JIAAMO O=c1cc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccc(Cl)cn12 ZINC000022377237 555927824 /nfs/dbraw/zinc/92/78/24/555927824.db2.gz MEMZDWZUVGQDOS-UHFFFAOYSA-N 1 1 450.892 4.075 50 0 JIAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)nc1CSc1ccccc1 ZINC000015682228 555951499 /nfs/dbraw/zinc/95/14/99/555951499.db2.gz CFNDRKHVNWHPAY-UHFFFAOYSA-N 1 1 451.592 4.394 50 0 JIAAMO CCc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1 ZINC000015726383 555964638 /nfs/dbraw/zinc/96/46/38/555964638.db2.gz TVUZOKUYGCSRMC-UHFFFAOYSA-N 1 1 450.539 4.167 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(C)cc4C)CC3)n2)cc1OC ZINC000015726503 555965194 /nfs/dbraw/zinc/96/51/94/555965194.db2.gz XONURUDJZLQVGL-UHFFFAOYSA-N 1 1 450.539 4.221 50 0 JIAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022908276 555965635 /nfs/dbraw/zinc/96/56/35/555965635.db2.gz LWBJWYIECNFYED-FQEVSTJZSA-N 1 1 457.958 4.395 50 0 JIAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022908276 555965638 /nfs/dbraw/zinc/96/56/38/555965638.db2.gz LWBJWYIECNFYED-FQEVSTJZSA-N 1 1 457.958 4.395 50 0 JIAAMO COc1cc(OC)c(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1Cl ZINC000022912871 555968474 /nfs/dbraw/zinc/96/84/74/555968474.db2.gz MQEYTEQREVUPOU-UHFFFAOYSA-N 1 1 459.999 4.328 50 0 JIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000022917843 555971349 /nfs/dbraw/zinc/97/13/49/555971349.db2.gz JVPIIHMCWAZHLR-DEOSSOPVSA-N 1 1 462.981 4.429 50 0 JIAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1c(Cl)cccc1Cl ZINC000022930681 555983815 /nfs/dbraw/zinc/98/38/15/555983815.db2.gz OIFBSFYMIKQVHI-UHFFFAOYSA-N 1 1 469.800 4.232 50 0 JIAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)Nc1cccc(F)c1 ZINC000022932505 555985290 /nfs/dbraw/zinc/98/52/90/555985290.db2.gz LVQPZSMLXFZRFH-UHFFFAOYSA-N 1 1 486.897 4.083 50 0 JIAAMO CN(Cc1cnc2ccccn12)C(=O)CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000023128413 556017696 /nfs/dbraw/zinc/01/76/96/556017696.db2.gz LFHXQEWDETTZRT-VWLOTQADSA-N 1 1 458.537 4.458 50 0 JIAAMO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000023483414 556075021 /nfs/dbraw/zinc/07/50/21/556075021.db2.gz ZXACABLAXCYFCR-DEOSSOPVSA-N 1 1 460.965 4.380 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)c(OC)c(OC)c2)N3)C1 ZINC000015947281 556085217 /nfs/dbraw/zinc/08/52/17/556085217.db2.gz NURLLWOUGRJJBF-KRWDZBQOSA-N 1 1 499.374 4.177 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009648 556108329 /nfs/dbraw/zinc/10/83/29/556108329.db2.gz ATWWDPFSYDNMEL-XQNUDUSMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009648 556108331 /nfs/dbraw/zinc/10/83/31/556108331.db2.gz ATWWDPFSYDNMEL-XQNUDUSMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009920 556108911 /nfs/dbraw/zinc/10/89/11/556108911.db2.gz KPDRMPVLXMQCKG-XQNUDUSMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009920 556108914 /nfs/dbraw/zinc/10/89/14/556108914.db2.gz KPDRMPVLXMQCKG-XQNUDUSMSA-N 1 1 490.774 4.386 50 0 JIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000023990040 556114470 /nfs/dbraw/zinc/11/44/70/556114470.db2.gz JICMVWMFMJZEKH-QGZVFWFLSA-N 1 1 483.663 4.473 50 0 JIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000023990040 556114473 /nfs/dbraw/zinc/11/44/73/556114473.db2.gz JICMVWMFMJZEKH-QGZVFWFLSA-N 1 1 483.663 4.473 50 0 JIAAMO C[NH+](C)CCCN1C(=O)C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000024193001 556126087 /nfs/dbraw/zinc/12/60/87/556126087.db2.gz NQCWZIGLWWJFQM-GOSISDBHSA-N 1 1 469.390 4.072 50 0 JIAAMO C[NH+](C)[C@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1Cl ZINC000024975118 556166774 /nfs/dbraw/zinc/16/67/74/556166774.db2.gz AFBJYAFFXIOOAS-QGZVFWFLSA-N 1 1 491.082 4.169 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024984719 556169337 /nfs/dbraw/zinc/16/93/37/556169337.db2.gz NTHZSRVNRNEYGF-HXUWFJFHSA-N 1 1 492.645 4.459 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024984719 556169339 /nfs/dbraw/zinc/16/93/39/556169339.db2.gz NTHZSRVNRNEYGF-HXUWFJFHSA-N 1 1 492.645 4.459 50 0 JIAAMO COc1cccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000016993574 556197487 /nfs/dbraw/zinc/19/74/87/556197487.db2.gz IAVGQYDHJTUJEI-LJAQVGFWSA-N 1 1 496.611 4.226 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccccc3Br)CC2)[nH+]1 ZINC000017012559 556202347 /nfs/dbraw/zinc/20/23/47/556202347.db2.gz IHMVVHZNLXZWJU-UHFFFAOYSA-N 1 1 452.356 4.254 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000017296937 556252162 /nfs/dbraw/zinc/25/21/62/556252162.db2.gz AGWAFVNEXPDFHA-VWLOTQADSA-N 1 1 496.007 4.324 50 0 JIAAMO COc1ccc(C(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2ccc(OC)cc2)cc1 ZINC000027572000 556298548 /nfs/dbraw/zinc/29/85/48/556298548.db2.gz OHXVACDXEUPRAS-HSZRJFAPSA-N 1 1 487.600 4.260 50 0 JIAAMO Cc1ccc(-c2cc(NC(=O)C[NH+]3CCC(C(=O)N4CCCC4)CC3)n(-c3ccccc3)n2)cc1 ZINC000032858088 556513195 /nfs/dbraw/zinc/51/31/95/556513195.db2.gz LOAZBZGXPRSTDI-UHFFFAOYSA-N 1 1 471.605 4.121 50 0 JIAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N(C)Cc3nnc5n3CCCCC5)n2)CCC4)CC1 ZINC000032865948 556516458 /nfs/dbraw/zinc/51/64/58/556516458.db2.gz ZQFCGPRUQFXZSU-UHFFFAOYSA-N 1 1 465.671 4.366 50 0 JIAAMO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033019312 563110300 /nfs/dbraw/zinc/11/03/00/563110300.db2.gz GLKGXHHESGCNKZ-HSZRJFAPSA-N 1 1 477.630 4.065 50 0 JIAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055243494 569591268 /nfs/dbraw/zinc/59/12/68/569591268.db2.gz HZRWAXGZZGQGOP-HHHXNRCGSA-N 1 1 499.099 4.422 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CCCCC2)C1 ZINC000055576415 569592331 /nfs/dbraw/zinc/59/23/31/569592331.db2.gz BXLQEJQYOGWDHS-KRWDZBQOSA-N 1 1 487.622 4.377 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CCCCC2)C1 ZINC000055576415 569592332 /nfs/dbraw/zinc/59/23/32/569592332.db2.gz BXLQEJQYOGWDHS-KRWDZBQOSA-N 1 1 487.622 4.377 50 0 JIAAMO COc1ccc(-c2nnn(C3CC[NH+](CC(=O)Nc4ccccc4-c4ccccc4)CC3)n2)cc1OC ZINC000008694531 569593190 /nfs/dbraw/zinc/59/31/90/569593190.db2.gz HTERRZAUTVIRQD-UHFFFAOYSA-N 1 1 498.587 4.300 50 0 JIAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(Cc5cccnc5)CC3)n2)CCC4)CC1 ZINC000057318517 569598604 /nfs/dbraw/zinc/59/86/04/569598604.db2.gz QCNFZGJOXKPINW-UHFFFAOYSA-N 1 1 462.667 4.129 50 0 JIAAMO COC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415039 569600333 /nfs/dbraw/zinc/60/03/33/569600333.db2.gz PKKQBXZUQNMBDD-QHCPKHFHSA-N 1 1 453.970 4.076 50 0 JIAAMO COC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415039 569600334 /nfs/dbraw/zinc/60/03/34/569600334.db2.gz PKKQBXZUQNMBDD-QHCPKHFHSA-N 1 1 453.970 4.076 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415811 569601189 /nfs/dbraw/zinc/60/11/89/569601189.db2.gz JYDIHOGESQMDHU-AREMUKBSSA-N 1 1 477.605 4.211 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415813 569601270 /nfs/dbraw/zinc/60/12/70/569601270.db2.gz JYDIHOGESQMDHU-SANMLTNESA-N 1 1 477.605 4.211 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000059487378 569605328 /nfs/dbraw/zinc/60/53/28/569605328.db2.gz FZIFLTRWNWZNKI-AVKZGCRPSA-N 1 1 463.537 4.010 50 0 biogenic JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018534 569618392 /nfs/dbraw/zinc/61/83/92/569618392.db2.gz ZQECQZQJXPWXEX-QHCPKHFHSA-N 1 1 471.605 4.082 50 0 JIAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1OC ZINC000064801876 569631671 /nfs/dbraw/zinc/63/16/71/569631671.db2.gz VTRIBLXJOUSOPD-UHFFFAOYSA-N 1 1 483.594 4.337 50 0 JIAAMO CCn1c2c(C(=O)Nc3ccc(F)cc3Cl)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835957 569636464 /nfs/dbraw/zinc/63/64/64/569636464.db2.gz QVFGWCWCUVHKAT-UHFFFAOYSA-N 1 1 479.943 4.119 50 0 JIAAMO C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062278 569655783 /nfs/dbraw/zinc/65/57/83/569655783.db2.gz QPLRRSWMYRDXQA-SFHVURJKSA-N 1 1 498.114 4.077 50 0 JIAAMO Cc1ccc(-c2noc(-c3ccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nc3)n2)cc1 ZINC000065097808 569661639 /nfs/dbraw/zinc/66/16/39/569661639.db2.gz HTQCXRPRKCMZND-UHFFFAOYSA-N 1 1 455.518 4.158 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829708 569663268 /nfs/dbraw/zinc/66/32/68/569663268.db2.gz WIENNNJGVFREGW-JIPXPUAJSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829708 569663269 /nfs/dbraw/zinc/66/32/69/569663269.db2.gz WIENNNJGVFREGW-JIPXPUAJSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@H](C)C2)cc1 ZINC000034829759 569663446 /nfs/dbraw/zinc/66/34/46/569663446.db2.gz XXMPFRCLWKGSSW-IBVKSMDESA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@H](C)C2)cc1 ZINC000034829759 569663448 /nfs/dbraw/zinc/66/34/48/569663448.db2.gz XXMPFRCLWKGSSW-IBVKSMDESA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC000034830265 569663819 /nfs/dbraw/zinc/66/38/19/569663819.db2.gz LWMHITUXBAWDED-IBVKSMDESA-N 1 1 477.630 4.360 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035165670 569677075 /nfs/dbraw/zinc/67/70/75/569677075.db2.gz WBXVAXJMDKXTKO-HAUPEQAHSA-N 1 1 470.500 4.463 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035165670 569677076 /nfs/dbraw/zinc/67/70/76/569677076.db2.gz WBXVAXJMDKXTKO-HAUPEQAHSA-N 1 1 470.500 4.463 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000085878794 569716283 /nfs/dbraw/zinc/71/62/83/569716283.db2.gz IFCCIXNUNRNEOZ-CNXCYTMISA-N 1 1 479.665 4.099 50 0 biogenic JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851646 569716347 /nfs/dbraw/zinc/71/63/47/569716347.db2.gz CBLIVWJSXAKKQY-FLFXDLLNSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851646 569716348 /nfs/dbraw/zinc/71/63/48/569716348.db2.gz CBLIVWJSXAKKQY-FLFXDLLNSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1ccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](CCc4ccccc4)C[C@H]23)cc1OC ZINC000035870027 569718059 /nfs/dbraw/zinc/71/80/59/569718059.db2.gz DBXWCYGZMPBZQJ-AZGAKELHSA-N 1 1 471.601 4.248 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2ccccc2OC)CC1 ZINC000095925478 569730072 /nfs/dbraw/zinc/73/00/72/569730072.db2.gz LOFOZSYXHLZKQH-UHFFFAOYSA-N 1 1 479.650 4.469 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(NC(=O)c2cncc(Br)c2)c1 ZINC000096116433 569735319 /nfs/dbraw/zinc/73/53/19/569735319.db2.gz FOIUMPFEMUAUHS-LAUBAEHRSA-N 1 1 471.399 4.091 50 0 biogenic JIAAMO O=C1C[C@@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000100153578 569754121 /nfs/dbraw/zinc/75/41/21/569754121.db2.gz IXLIHQAFPPBBBA-RUZDIDTESA-N 1 1 458.533 4.106 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccco2)C(=O)c2ccco2)CC1 ZINC000036312098 569759868 /nfs/dbraw/zinc/75/98/68/569759868.db2.gz ZTZNNQPKQFYBRN-UHFFFAOYSA-N 1 1 464.497 4.261 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](CCOC)C[C@@H](O)CC ZINC000036316363 569762827 /nfs/dbraw/zinc/76/28/27/569762827.db2.gz XVYQLKFLUKMJQW-NRFANRHFSA-N 1 1 453.583 4.455 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](CCOC)C[C@@H](O)CC ZINC000036316363 569762828 /nfs/dbraw/zinc/76/28/28/569762828.db2.gz XVYQLKFLUKMJQW-NRFANRHFSA-N 1 1 453.583 4.455 50 0 JIAAMO CCOc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342553 569765969 /nfs/dbraw/zinc/76/59/69/569765969.db2.gz VHAXIKAMGUSKQR-AREMUKBSSA-N 1 1 477.605 4.219 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346164 569768927 /nfs/dbraw/zinc/76/89/27/569768927.db2.gz GBLXXSKBDHOAHW-QHCPKHFHSA-N 1 1 453.583 4.127 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346164 569768928 /nfs/dbraw/zinc/76/89/28/569768928.db2.gz GBLXXSKBDHOAHW-QHCPKHFHSA-N 1 1 453.583 4.127 50 0 JIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346411 569769797 /nfs/dbraw/zinc/76/97/97/569769797.db2.gz HPYAHOGTWZSMTQ-UPVQGACJSA-N 1 1 469.557 4.100 50 0 JIAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346411 569769798 /nfs/dbraw/zinc/76/97/98/569769798.db2.gz HPYAHOGTWZSMTQ-UPVQGACJSA-N 1 1 469.557 4.100 50 0 JIAAMO C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CC[N@@H+](C)C1CCCCC1 ZINC000037443425 569791111 /nfs/dbraw/zinc/79/11/11/569791111.db2.gz RMRXTYKQFSVLDO-ZOIIRCJOSA-N 1 1 468.642 4.408 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101343126 569793714 /nfs/dbraw/zinc/79/37/14/569793714.db2.gz VSTPGKXOXGIIRZ-YHZQYDDPSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343126 569793715 /nfs/dbraw/zinc/79/37/15/569793715.db2.gz VSTPGKXOXGIIRZ-YHZQYDDPSA-N 1 1 471.944 4.233 50 0 JIAAMO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497518 569800641 /nfs/dbraw/zinc/80/06/41/569800641.db2.gz WPDVZUKIOFSVJK-QGZVFWFLSA-N 1 1 485.654 4.100 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497518 569800642 /nfs/dbraw/zinc/80/06/42/569800642.db2.gz WPDVZUKIOFSVJK-QGZVFWFLSA-N 1 1 485.654 4.100 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3=O)c2c1 ZINC000101497555 569800894 /nfs/dbraw/zinc/80/08/94/569800894.db2.gz WYQAOAMUHLVFOL-QGZVFWFLSA-N 1 1 485.654 4.100 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCC[N@H+]4CCCC[C@H]4C)c3=O)c2c1 ZINC000101497555 569800895 /nfs/dbraw/zinc/80/08/95/569800895.db2.gz WYQAOAMUHLVFOL-QGZVFWFLSA-N 1 1 485.654 4.100 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101798673 569805255 /nfs/dbraw/zinc/80/52/55/569805255.db2.gz PBIMFQMCWXSRPS-UHFFFAOYSA-N 1 1 450.970 4.217 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798673 569805256 /nfs/dbraw/zinc/80/52/56/569805256.db2.gz PBIMFQMCWXSRPS-UHFFFAOYSA-N 1 1 450.970 4.217 50 0 JIAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000040112694 569816265 /nfs/dbraw/zinc/81/62/65/569816265.db2.gz JJIULWSZBTVOOY-SFHVURJKSA-N 1 1 494.057 4.391 50 0 JIAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000040112694 569816266 /nfs/dbraw/zinc/81/62/66/569816266.db2.gz JJIULWSZBTVOOY-SFHVURJKSA-N 1 1 494.057 4.391 50 0 JIAAMO CC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@@H](c4ccc(C(C)C)cc4)N23)CC1 ZINC000102743534 569819491 /nfs/dbraw/zinc/81/94/91/569819491.db2.gz KNLASLIVOSPUQA-XMMPIXPASA-N 1 1 482.650 4.112 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCC(NC(=O)c4ccncc4)CC3)c2c1C ZINC000040155546 569820787 /nfs/dbraw/zinc/82/07/87/569820787.db2.gz LJSKOSSKBZCJOA-UHFFFAOYSA-N 1 1 478.666 4.334 50 0 JIAAMO NC(=O)C[N@@H+]1CCCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000040155534 569820824 /nfs/dbraw/zinc/82/08/24/569820824.db2.gz GETLJXNQRKQFED-UHFFFAOYSA-N 1 1 488.082 4.123 50 0 JIAAMO NC(=O)C[N@H+]1CCCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000040155534 569820826 /nfs/dbraw/zinc/82/08/26/569820826.db2.gz GETLJXNQRKQFED-UHFFFAOYSA-N 1 1 488.082 4.123 50 0 JIAAMO CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102941140 569829646 /nfs/dbraw/zinc/82/96/46/569829646.db2.gz UWNIQFODGGRYET-DFBJGRDBSA-N 1 1 496.677 4.432 50 0 JIAAMO Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCC[N@@H+](C)CC4)N32)cc1 ZINC000103230522 569833896 /nfs/dbraw/zinc/83/38/96/569833896.db2.gz PRVKVTDDRUXUCI-DEOSSOPVSA-N 1 1 482.650 4.076 50 0 JIAAMO COc1cc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccc(C)cc3n2)cc(OC)c1OC ZINC000045974103 569841743 /nfs/dbraw/zinc/84/17/43/569841743.db2.gz WGIMFLFYSXBHMD-UHFFFAOYSA-N 1 1 459.546 4.231 50 0 JIAAMO COc1cc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccc(C)cc3n2)cc(OC)c1OC ZINC000045974103 569841744 /nfs/dbraw/zinc/84/17/44/569841744.db2.gz WGIMFLFYSXBHMD-UHFFFAOYSA-N 1 1 459.546 4.231 50 0 JIAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032400 569843012 /nfs/dbraw/zinc/84/30/12/569843012.db2.gz KTAULUSYBKCMLM-UHFFFAOYSA-N 1 1 480.590 4.256 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104982685 569847914 /nfs/dbraw/zinc/84/79/14/569847914.db2.gz YQSBJWPSPTVLDH-LADGPHEKSA-N 1 1 461.002 4.377 50 0 JIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)cc1 ZINC000105004623 569849938 /nfs/dbraw/zinc/84/99/38/569849938.db2.gz GABOQKQKKIPFTH-RDGATRHJSA-N 1 1 486.678 4.059 50 0 JIAAMO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000105009663 569850681 /nfs/dbraw/zinc/85/06/81/569850681.db2.gz XCEFPTRFJDLEIP-FDDCHVKYSA-N 1 1 451.567 4.265 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000106535946 569854261 /nfs/dbraw/zinc/85/42/61/569854261.db2.gz UOMKNIOOXOCHDJ-LUCIHVKJSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000106535946 569854262 /nfs/dbraw/zinc/85/42/62/569854262.db2.gz UOMKNIOOXOCHDJ-LUCIHVKJSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000106535204 569854302 /nfs/dbraw/zinc/85/43/02/569854302.db2.gz OZSGSWFXERWLLT-HLIRBWCUSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000106535204 569854303 /nfs/dbraw/zinc/85/43/03/569854303.db2.gz OZSGSWFXERWLLT-HLIRBWCUSA-N 1 1 471.944 4.233 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C[C@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000108982397 569860167 /nfs/dbraw/zinc/86/01/67/569860167.db2.gz LQOXGXHYMADDCP-NEKDWFFYSA-N 1 1 461.558 4.294 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](C[C@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000108982397 569860168 /nfs/dbraw/zinc/86/01/68/569860168.db2.gz LQOXGXHYMADDCP-NEKDWFFYSA-N 1 1 461.558 4.294 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC ZINC000169679247 569869659 /nfs/dbraw/zinc/86/96/59/569869659.db2.gz RKMWNKUKYOJVFN-ZJSXRUAMSA-N 1 1 474.667 4.096 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)c1 ZINC000169679930 569870113 /nfs/dbraw/zinc/87/01/13/569870113.db2.gz SHFWKKWZFIASQA-RCZVLFRGSA-N 1 1 486.678 4.059 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000169680384 569870506 /nfs/dbraw/zinc/87/05/06/569870506.db2.gz QRGZBJLSJXOBHE-RCZVLFRGSA-N 1 1 488.694 4.307 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000230138065 570045924 /nfs/dbraw/zinc/04/59/24/570045924.db2.gz IJDNGSDGRNZCKZ-ZCYQVOJMSA-N 1 1 456.030 4.374 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245245213 570058841 /nfs/dbraw/zinc/05/88/41/570058841.db2.gz CBLIVWJSXAKKQY-GSRZOBFVSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245245213 570058842 /nfs/dbraw/zinc/05/88/42/570058842.db2.gz CBLIVWJSXAKKQY-GSRZOBFVSA-N 1 1 470.356 4.041 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)C ZINC000245325630 570064505 /nfs/dbraw/zinc/06/45/05/570064505.db2.gz BNTHIQDVVCNFLR-DENIHFKCSA-N 1 1 481.058 4.014 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000248113828 570074243 /nfs/dbraw/zinc/07/42/43/570074243.db2.gz UDZJUEYWVZNLJR-HYBUGGRVSA-N 1 1 453.652 4.109 50 0 JIAAMO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248139736 570075274 /nfs/dbraw/zinc/07/52/74/570075274.db2.gz BLENMZQNJMHXLZ-JOCHJYFZSA-N 1 1 475.637 4.187 50 0 JIAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000248244411 570076573 /nfs/dbraw/zinc/07/65/73/570076573.db2.gz GGSSOHAHFTZPNA-HQCZVFHSSA-N 1 1 462.631 4.077 50 0 JIAAMO CCCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000248244411 570076574 /nfs/dbraw/zinc/07/65/74/570076574.db2.gz GGSSOHAHFTZPNA-HQCZVFHSSA-N 1 1 462.631 4.077 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248339445 570078067 /nfs/dbraw/zinc/07/80/67/570078067.db2.gz SWIKMMFFIIJRSK-RAZUEPIFSA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)CC2)nc2ccccc21 ZINC000249695854 570078697 /nfs/dbraw/zinc/07/86/97/570078697.db2.gz RQRQTUZXFUYWAJ-UHFFFAOYSA-N 1 1 484.019 4.410 50 0 JIAAMO CCN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000249702741 570078896 /nfs/dbraw/zinc/07/88/96/570078896.db2.gz ZDHSKEIIBYGTAH-QFIPXVFZSA-N 1 1 480.056 4.114 50 0 JIAAMO COc1ccc2c(c1)CCc1c(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)[nH]nc1-2 ZINC000263585628 570171230 /nfs/dbraw/zinc/17/12/30/570171230.db2.gz KWIHENJVZHCISJ-HUGNGJMYSA-N 1 1 458.606 4.219 50 0 JIAAMO COc1ccc2c(c1)CCc1c(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)n[nH]c1-2 ZINC000263585628 570171231 /nfs/dbraw/zinc/17/12/31/570171231.db2.gz KWIHENJVZHCISJ-HUGNGJMYSA-N 1 1 458.606 4.219 50 0 JIAAMO COc1ccc2c(c1)CCc1c(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)n[nH]c1-2 ZINC000263585628 570171232 /nfs/dbraw/zinc/17/12/32/570171232.db2.gz KWIHENJVZHCISJ-HUGNGJMYSA-N 1 1 458.606 4.219 50 0 JIAAMO COC(=O)CC[C@H]1CN(Cc2ccc(F)cc2F)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000299773957 570176187 /nfs/dbraw/zinc/17/61/87/570176187.db2.gz GOUCVZDEBHHOLQ-GBXCKJPGSA-N 1 1 488.575 4.184 50 0 JIAAMO CSc1ccc2cc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2c1 ZINC000299792248 570176985 /nfs/dbraw/zinc/17/69/85/570176985.db2.gz DKQYFHXIALCHGI-GOSISDBHSA-N 1 1 489.563 4.488 50 0 JIAAMO Cc1ccc(CNC(=O)CNC(=S)N2CC[N@@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)cc1 ZINC000002953401 194178395 /nfs/dbraw/zinc/17/83/95/194178395.db2.gz WNYDJIYBLMZQEV-UHFFFAOYSA-N 1 1 478.706 4.315 50 0 JIAAMO O=C(NCc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000002960570 194181678 /nfs/dbraw/zinc/18/16/78/194181678.db2.gz ZRJGWLOAOYUAJA-QFIPXVFZSA-N 1 1 457.553 4.331 50 0 JIAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2C)cc1 ZINC000003657955 194354489 /nfs/dbraw/zinc/35/44/89/194354489.db2.gz RGQHCJMKRPQVIE-PMWPQBSLSA-N 1 1 463.622 4.090 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cn2cc(Br)cn2)o1 ZINC000004174491 194382585 /nfs/dbraw/zinc/38/25/85/194382585.db2.gz CPVKIAHAOPJYAZ-ICSRJNTNSA-N 1 1 455.356 4.043 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000012750690 195105513 /nfs/dbraw/zinc/10/55/13/195105513.db2.gz ICNUXCJIAKSXEA-AWEZNQCLSA-N 1 1 456.340 4.267 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000012750690 195105516 /nfs/dbraw/zinc/10/55/16/195105516.db2.gz ICNUXCJIAKSXEA-AWEZNQCLSA-N 1 1 456.340 4.267 50 0 JIAAMO COc1ccccc1CNC(=O)CNC(=S)N1CC[N@@H+](Cc2ccc(C)cc2)C2(CCCCC2)C1 ZINC000020687962 195205433 /nfs/dbraw/zinc/20/54/33/195205433.db2.gz MEEJOWCLWNORBH-UHFFFAOYSA-N 1 1 494.705 4.015 50 0 JIAAMO CCN1CC[NH+](C[C@@H](O)CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)CC1 ZINC000020828655 195229672 /nfs/dbraw/zinc/22/96/72/195229672.db2.gz TWVJVHCTCLPIGE-YWEHKCAJSA-N 1 1 464.698 4.380 50 0 JIAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000020935946 195252829 /nfs/dbraw/zinc/25/28/29/195252829.db2.gz VDQPLKPSZIDRQO-QHCPKHFHSA-N 1 1 473.639 4.190 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000021097989 195275986 /nfs/dbraw/zinc/27/59/86/195275986.db2.gz FTLTXHZYUCWTRM-AREMUKBSSA-N 1 1 479.646 4.142 50 0 JIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)C1 ZINC000021166963 195289146 /nfs/dbraw/zinc/28/91/46/195289146.db2.gz CLHITRWYIVNTAS-CQSZACIVSA-N 1 1 453.029 4.208 50 0 JIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)C1 ZINC000021166968 195289200 /nfs/dbraw/zinc/28/92/00/195289200.db2.gz CLHITRWYIVNTAS-AWEZNQCLSA-N 1 1 453.029 4.208 50 0 JIAAMO C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000021309232 195293977 /nfs/dbraw/zinc/29/39/77/195293977.db2.gz WRYCUFKRUXWDCT-CRAIPNDOSA-N 1 1 482.631 4.285 50 0 JIAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000021367924 195300232 /nfs/dbraw/zinc/30/02/32/195300232.db2.gz OJLBTUPNLIMSRY-UHFFFAOYSA-N 1 1 451.498 4.046 50 0 JIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)c1C ZINC000021934641 195335931 /nfs/dbraw/zinc/33/59/31/195335931.db2.gz HBIVLOWBVZYFQI-UHFFFAOYSA-N 1 1 465.601 4.466 50 0 JIAAMO C[N@@H+](Cc1ccccc1NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C1CCCCC1 ZINC000057585543 195351191 /nfs/dbraw/zinc/35/11/91/195351191.db2.gz JICYYQOGBWYAED-DEOSSOPVSA-N 1 1 475.699 4.211 50 0 JIAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146162 518878476 /nfs/dbraw/zinc/87/84/76/518878476.db2.gz BZLVYKWTJBNSBW-UXHICEINSA-N 1 1 474.985 4.240 50 0 JIAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146162 518878482 /nfs/dbraw/zinc/87/84/82/518878482.db2.gz BZLVYKWTJBNSBW-UXHICEINSA-N 1 1 474.985 4.240 50 0 JIAAMO CC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@H]3CCOC3)C2)CC1 ZINC000014880306 519511433 /nfs/dbraw/zinc/51/14/33/519511433.db2.gz GGBCNZCFFYDNGR-QFIPXVFZSA-N 1 1 493.629 4.336 50 0 JIAAMO CC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@H]3CCOC3)C2)CC1 ZINC000014880306 519511438 /nfs/dbraw/zinc/51/14/38/519511438.db2.gz GGBCNZCFFYDNGR-QFIPXVFZSA-N 1 1 493.629 4.336 50 0 JIAAMO CCC[N@H+]1CCc2nc(SCc3nc(-c4ccc(OC)cc4OC)oc3C)[nH]c(=O)c2C1 ZINC000033287196 519863775 /nfs/dbraw/zinc/86/37/75/519863775.db2.gz BLIMRSCLWOUOSP-UHFFFAOYSA-N 1 1 456.568 4.223 50 0 JIAAMO CC(C)c1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000033139849 519869706 /nfs/dbraw/zinc/86/97/06/519869706.db2.gz BEWMRRBHWUQHDT-UHFFFAOYSA-N 1 1 471.403 4.167 50 0 JIAAMO CCN(C(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1)c1ccccc1 ZINC000021880560 519901143 /nfs/dbraw/zinc/90/11/43/519901143.db2.gz GQTUWHUGBDFYJQ-UHFFFAOYSA-N 1 1 450.539 4.019 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl ZINC000036304986 520091729 /nfs/dbraw/zinc/09/17/29/520091729.db2.gz HXGRBVIXUPCVIU-FQEVSTJZSA-N 1 1 474.001 4.379 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036302570 520092015 /nfs/dbraw/zinc/09/20/15/520092015.db2.gz COYLCECTWAOKNY-QFIPXVFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036302570 520092019 /nfs/dbraw/zinc/09/20/19/520092019.db2.gz COYLCECTWAOKNY-QFIPXVFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000036308868 520318709 /nfs/dbraw/zinc/31/87/09/520318709.db2.gz SZMXNXCZQRPVEW-DHLKQENFSA-N 1 1 488.694 4.484 50 0 JIAAMO CCCC[N@@H+](C)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O ZINC000008611024 520401589 /nfs/dbraw/zinc/40/15/89/520401589.db2.gz TZHQHDWYIRGANN-UHFFFAOYSA-N 1 1 494.039 4.291 50 0 JIAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2CC[N@@H+](C)C2CCCCC2)CC1 ZINC000021811118 520951717 /nfs/dbraw/zinc/95/17/17/520951717.db2.gz APNNXSUTEHSYRX-HRYTWTRCSA-N 1 1 468.642 4.408 50 0 JIAAMO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014747941 521525041 /nfs/dbraw/zinc/52/50/41/521525041.db2.gz FPCMCDBLMPKEDZ-NKFKGCMQSA-N 1 1 467.013 4.413 50 0 JIAAMO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000014964340 521576932 /nfs/dbraw/zinc/57/69/32/521576932.db2.gz MHLQJEKZTIWZED-QFIPXVFZSA-N 1 1 456.546 4.068 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@@H](O)COC)C1CC1 ZINC000036302618 522638973 /nfs/dbraw/zinc/63/89/73/522638973.db2.gz SDSVLNGHPPJWKU-OAQYLSRUSA-N 1 1 451.567 4.207 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@@H](O)COC)C1CC1 ZINC000036302618 522638985 /nfs/dbraw/zinc/63/89/85/522638985.db2.gz SDSVLNGHPPJWKU-OAQYLSRUSA-N 1 1 451.567 4.207 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C(C)=O)CCCCC2)cc(OC)c1 ZINC000043883943 522647548 /nfs/dbraw/zinc/64/75/48/522647548.db2.gz WREUVRAFUVFBKL-SQJMNOBHSA-N 1 1 471.642 4.458 50 0 JIAAMO CC[C@H](O)C1CC[NH+](Cc2nc3ccccc3c(N(C)Cc3ccc(OC)c(OC)c3)n2)CC1 ZINC000014995008 522782834 /nfs/dbraw/zinc/78/28/34/522782834.db2.gz JBDARZXVJVZLGS-QHCPKHFHSA-N 1 1 464.610 4.266 50 0 JIAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304657 522784692 /nfs/dbraw/zinc/78/46/92/522784692.db2.gz FDQUWFSTKUEQHE-JOCHJYFZSA-N 1 1 451.567 4.201 50 0 JIAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cc(C)cc(C)c2)CC3)o1 ZINC000014968539 522960505 /nfs/dbraw/zinc/96/05/05/522960505.db2.gz SWVLAUCBJQRZMU-QHCPKHFHSA-N 1 1 479.625 4.210 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1OC ZINC000021880564 523287591 /nfs/dbraw/zinc/28/75/91/523287591.db2.gz FNVAUZGTGOVGQW-UHFFFAOYSA-N 1 1 456.930 4.258 50 0 JIAAMO C[N@@H+](Cc1cccc(OCCNC(=O)[C@H]2Cc3ccccc3O2)c1)Cc1cccc2cccnc21 ZINC000014988709 523316844 /nfs/dbraw/zinc/31/68/44/523316844.db2.gz JRMSQAXAVWWWOB-HHHXNRCGSA-N 1 1 467.569 4.366 50 0 JIAAMO COc1ccc(/C=C/C(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4cnn(C)c4)cc3)CC2)cc1 ZINC000012455395 523385882 /nfs/dbraw/zinc/38/58/82/523385882.db2.gz AGWHEELWPOBAPM-MDWZMJQESA-N 1 1 474.605 4.144 50 0 JIAAMO CCc1c(C(=O)NCc2nc(-c3ccccc3)cs2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000014980458 523698709 /nfs/dbraw/zinc/69/87/09/523698709.db2.gz ZJPOYANSUVQOGC-HXUWFJFHSA-N 1 1 464.635 4.257 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036306009 523736080 /nfs/dbraw/zinc/73/60/80/523736080.db2.gz HCGNJGORVASNNN-QHCPKHFHSA-N 1 1 497.636 4.370 50 0 JIAAMO C[N@H+]1CCC[C@H](C(=O)NCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)n2)C1 ZINC000014879449 523838076 /nfs/dbraw/zinc/83/80/76/523838076.db2.gz BGCGHLZEMHGZQB-KRWDZBQOSA-N 1 1 457.500 4.219 50 0 JIAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@@H+](C)Cc1nc3ccccc3s1)CC2 ZINC000014749688 524032267 /nfs/dbraw/zinc/03/22/67/524032267.db2.gz VARRSIRXNSLDHD-IBGZPJMESA-N 1 1 459.619 4.232 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1C ZINC000016259256 524642843 /nfs/dbraw/zinc/64/28/43/524642843.db2.gz QTTXBRJUFJJDBM-DEOSSOPVSA-N 1 1 493.629 4.371 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)(C)C)C2CC2)c1 ZINC000036309477 524759246 /nfs/dbraw/zinc/75/92/46/524759246.db2.gz BVAUONZMURLACZ-XUZZJYLKSA-N 1 1 486.678 4.202 50 0 JIAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 ZINC000022799031 524958104 /nfs/dbraw/zinc/95/81/04/524958104.db2.gz IWWLGGCZAXFZKC-INIZCTEOSA-N 1 1 485.934 4.391 50 0 JIAAMO Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000033289210 525480745 /nfs/dbraw/zinc/48/07/45/525480745.db2.gz VRAYUPLSYDGEDX-UHFFFAOYSA-N 1 1 464.591 4.181 50 0 JIAAMO COc1ccc2[nH]cc([C@H](O)C[N@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000012437039 525493807 /nfs/dbraw/zinc/49/38/07/525493807.db2.gz ZZFLEMPMVQJSPH-RRPNLBNLSA-N 1 1 481.552 4.106 50 0 biogenic JIAAMO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CC[N@H+](C)C2CCCCC2)C3=O)o1 ZINC000021810868 525616591 /nfs/dbraw/zinc/61/65/91/525616591.db2.gz OWKZHZULFNHINB-MHZLTWQESA-N 1 1 468.642 4.471 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000021810419 525954908 /nfs/dbraw/zinc/95/49/08/525954908.db2.gz NKJRUZHZFYOYOQ-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000021810419 525954916 /nfs/dbraw/zinc/95/49/16/525954916.db2.gz NKJRUZHZFYOYOQ-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO Cc1ccc(C)c(-n2cnn(CN3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c2=S)c1 ZINC000022816357 526257152 /nfs/dbraw/zinc/25/71/52/526257152.db2.gz VOXAOYWNLRCFBD-UHFFFAOYSA-N 1 1 458.031 4.328 50 0 JIAAMO O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000048309409 526887288 /nfs/dbraw/zinc/88/72/88/526887288.db2.gz JCYGJYIOYMTBPT-UHFFFAOYSA-N 1 1 498.855 4.271 50 0 JIAAMO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@@H](c1cccnc1)N1CCCCC1 ZINC000014986647 526993406 /nfs/dbraw/zinc/99/34/06/526993406.db2.gz JVHRSHIVHBDAHO-GGAORHGYSA-N 1 1 485.028 4.162 50 0 JIAAMO O=C(CSc1nnc2[nH]c3ccccc3n21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012510004 527088241 /nfs/dbraw/zinc/08/82/41/527088241.db2.gz PDICJNTVVPXLAG-UHFFFAOYSA-N 1 1 482.613 4.237 50 0 JIAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014881746 527282257 /nfs/dbraw/zinc/28/22/57/527282257.db2.gz KVOGEDMRJZXAJG-UHFFFAOYSA-N 1 1 475.980 4.109 50 0 JIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002231587 554105628 /nfs/dbraw/zinc/10/56/28/554105628.db2.gz ZCPXEGOKYXYPQK-LOSJGSFVSA-N 1 1 466.497 4.286 50 0 JIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000002345737 554158589 /nfs/dbraw/zinc/15/85/89/554158589.db2.gz YTHDCUCOECLFQM-DNRSQYFGSA-N 1 1 454.567 4.019 50 0 JIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000002345737 554158591 /nfs/dbraw/zinc/15/85/91/554158591.db2.gz YTHDCUCOECLFQM-DNRSQYFGSA-N 1 1 454.567 4.019 50 0 JIAAMO COc1ccc([C@H](NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2)cc1 ZINC000008882582 554777311 /nfs/dbraw/zinc/77/73/11/554777311.db2.gz LRXBEGZZLBVSHD-HHHXNRCGSA-N 1 1 463.622 4.015 50 0 JIAAMO C[C@@H](NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000008936450 554830410 /nfs/dbraw/zinc/83/04/10/554830410.db2.gz OVVKLDRIYWKPFF-OAQYLSRUSA-N 1 1 484.600 4.467 50 0 JIAAMO O=C1C[C@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000009046256 554870530 /nfs/dbraw/zinc/87/05/30/554870530.db2.gz ZGKYPAUKBWJUSO-VWLOTQADSA-N 1 1 458.533 4.106 50 0 JIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000009115668 554902616 /nfs/dbraw/zinc/90/26/16/554902616.db2.gz PEMREEAMSAREFN-HKBQPEDESA-N 1 1 456.995 4.419 50 0 JIAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cc3ccccc3s2)CC1 ZINC000009126017 554919121 /nfs/dbraw/zinc/91/91/21/554919121.db2.gz KJVFTKVHYGXBAG-UHFFFAOYSA-N 1 1 498.674 4.080 50 0 JIAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000009269286 555044241 /nfs/dbraw/zinc/04/42/41/555044241.db2.gz UOHUUHIMXLSCGE-UHFFFAOYSA-N 1 1 495.645 4.426 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009462965 555232179 /nfs/dbraw/zinc/23/21/79/555232179.db2.gz MKPIPQFKSRMULY-QFIPXVFZSA-N 1 1 488.009 4.325 50 0 JIAAMO CCn1c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009672145 555393185 /nfs/dbraw/zinc/39/31/85/555393185.db2.gz MDMHPQHZMXDXCE-UHFFFAOYSA-N 1 1 483.663 4.296 50 0 JIAAMO COc1ccc(C[N@@H+](C)C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009585683 555395421 /nfs/dbraw/zinc/39/54/21/555395421.db2.gz IMVTXWGTGSCGQI-QHCPKHFHSA-N 1 1 451.563 4.311 50 0 JIAAMO CC(C)C(=O)Nc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000019831670 555505373 /nfs/dbraw/zinc/50/53/73/555505373.db2.gz PNHXSAMWBHGYDE-UHFFFAOYSA-N 1 1 495.674 4.159 50 0 JIAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000019835074 555506695 /nfs/dbraw/zinc/50/66/95/555506695.db2.gz OUTSZKAXSRSZIE-UHFFFAOYSA-N 1 1 488.588 4.362 50 0 JIAAMO Cc1ccc(C(C)C)c(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)c1 ZINC000020034454 555609179 /nfs/dbraw/zinc/60/91/79/555609179.db2.gz TWIFJHYVLLDHQU-WMPKNSHKSA-N 1 1 498.708 4.347 50 0 biogenic JIAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)c1 ZINC000020034454 555609183 /nfs/dbraw/zinc/60/91/83/555609183.db2.gz TWIFJHYVLLDHQU-WMPKNSHKSA-N 1 1 498.708 4.347 50 0 biogenic JIAAMO Cc1c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000020036844 555611230 /nfs/dbraw/zinc/61/12/30/555611230.db2.gz RCSGRUNNQATZRJ-UHFFFAOYSA-N 1 1 452.558 4.295 50 0 JIAAMO CN(c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013896674 555643883 /nfs/dbraw/zinc/64/38/83/555643883.db2.gz AMCHGSHJMDQEAO-UHFFFAOYSA-N 1 1 484.021 4.123 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000014022855 555673921 /nfs/dbraw/zinc/67/39/21/555673921.db2.gz DRDMJTBEWJQVJW-UHFFFAOYSA-N 1 1 457.530 4.372 50 0 JIAAMO O=C(c1cccc(CN2CCCC2=O)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014141745 555707032 /nfs/dbraw/zinc/70/70/32/555707032.db2.gz OJDYHRDCUVBNHL-UHFFFAOYSA-N 1 1 453.586 4.356 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214055 555708781 /nfs/dbraw/zinc/70/87/81/555708781.db2.gz CQTOGAJBFITDOY-AUSIDOKSSA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214055 555708784 /nfs/dbraw/zinc/70/87/84/555708784.db2.gz CQTOGAJBFITDOY-AUSIDOKSSA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214055 555708788 /nfs/dbraw/zinc/70/87/88/555708788.db2.gz CQTOGAJBFITDOY-AUSIDOKSSA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214055 555708790 /nfs/dbraw/zinc/70/87/90/555708790.db2.gz CQTOGAJBFITDOY-AUSIDOKSSA-N 1 1 453.970 4.391 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000014200403 555732019 /nfs/dbraw/zinc/73/20/19/555732019.db2.gz JNJODGWEEORRBG-KBPBESRZSA-N 1 1 458.411 4.230 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242798 555739541 /nfs/dbraw/zinc/73/95/41/555739541.db2.gz ZXZHKBALOLLGBT-GJRHBRKLSA-N 1 1 487.625 4.228 50 0 JIAAMO COc1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000020289735 555761281 /nfs/dbraw/zinc/76/12/81/555761281.db2.gz RJMSJXSVHYFSBW-KBMIEXCESA-N 1 1 465.619 4.447 50 0 JIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)C1 ZINC000014528864 555816631 /nfs/dbraw/zinc/81/66/31/555816631.db2.gz MMWHRLMHDSCURD-IAGOWNOFSA-N 1 1 458.603 4.251 50 0 JIAAMO COc1cc(Cl)c(C[NH+]2CCC3(C[C@H]3C(=O)NCCCc3ccncc3)CC2)cc1OC ZINC000011785723 555818235 /nfs/dbraw/zinc/81/82/35/555818235.db2.gz VHGAQSDBBGQTDH-FQEVSTJZSA-N 1 1 458.002 4.103 50 0 JIAAMO COc1cc(Cl)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCc3ccncc3)CC2)cc1OC ZINC000011785722 555818343 /nfs/dbraw/zinc/81/83/43/555818343.db2.gz VHGAQSDBBGQTDH-HXUWFJFHSA-N 1 1 458.002 4.103 50 0 JIAAMO c1cc(CNC2CC[NH+](Cc3ccccc3)CC2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576825 555831419 /nfs/dbraw/zinc/83/14/19/555831419.db2.gz NVAPRBXSQOVFIE-UHFFFAOYSA-N 1 1 450.656 4.463 50 0 JIAAMO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014542330 555833005 /nfs/dbraw/zinc/83/30/05/555833005.db2.gz IFCDLESCSPKADS-UHFFFAOYSA-N 1 1 489.645 4.457 50 0 JIAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000011841527 555834185 /nfs/dbraw/zinc/83/41/85/555834185.db2.gz SBKHKDQVURRWIZ-XLIONFOSSA-N 1 1 476.524 4.475 50 0 JIAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000011841527 555834186 /nfs/dbraw/zinc/83/41/86/555834186.db2.gz SBKHKDQVURRWIZ-XLIONFOSSA-N 1 1 476.524 4.475 50 0 JIAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4C)cc2)CC3)cc1 ZINC000020599859 555841317 /nfs/dbraw/zinc/84/13/17/555841317.db2.gz IKSVFUXMAUFZLJ-UHFFFAOYSA-N 1 1 495.627 4.293 50 0 JIAAMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000011869747 555845913 /nfs/dbraw/zinc/84/59/13/555845913.db2.gz MFEBQNBLFCEBMY-GGAORHGYSA-N 1 1 468.594 4.124 50 0 JIAAMO CSc1nccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)C3)n1 ZINC000015004802 555849454 /nfs/dbraw/zinc/84/94/54/555849454.db2.gz HIFQDWKLOLHJDG-KNQAVFIVSA-N 1 1 496.036 4.171 50 0 JIAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011958757 555870060 /nfs/dbraw/zinc/87/00/60/555870060.db2.gz YURMDBKITCUNIP-XMMPIXPASA-N 1 1 450.627 4.206 50 0 JIAAMO O=C(/C=C/c1cccs1)NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000012041754 555894414 /nfs/dbraw/zinc/89/44/14/555894414.db2.gz FUCSZZPGCPZFEY-VAWYXSNFSA-N 1 1 462.619 4.064 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000012048489 555895595 /nfs/dbraw/zinc/89/55/95/555895595.db2.gz RTUPWDBBNSAOTK-KRWDZBQOSA-N 1 1 484.526 4.440 50 0 JIAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)c2cccc(Cn3cccn3)c2)Cc2ccccc2O1 ZINC000012052520 555896757 /nfs/dbraw/zinc/89/67/57/555896757.db2.gz KWPKCTFSAHZVBX-NDEPHWFRSA-N 1 1 482.584 4.306 50 0 JIAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)c2cccc(Cn3cccn3)c2)Cc2ccccc2O1 ZINC000012052520 555896759 /nfs/dbraw/zinc/89/67/59/555896759.db2.gz KWPKCTFSAHZVBX-NDEPHWFRSA-N 1 1 482.584 4.306 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726173 555963570 /nfs/dbraw/zinc/96/35/70/555963570.db2.gz FZDITTSCSFGSCB-INIZCTEOSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726173 555963572 /nfs/dbraw/zinc/96/35/72/555963572.db2.gz FZDITTSCSFGSCB-INIZCTEOSA-N 1 1 456.930 4.258 50 0 JIAAMO Cc1ccc(C[N@H+]2CC[C@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CCC5)C2)cc1 ZINC000015733819 555979552 /nfs/dbraw/zinc/97/95/52/555979552.db2.gz NMSHUNZSYRKIQU-HXUWFJFHSA-N 1 1 465.619 4.104 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1F ZINC000012453645 555981161 /nfs/dbraw/zinc/98/11/61/555981161.db2.gz NYNYMGFHNZRMOL-NRFANRHFSA-N 1 1 450.558 4.484 50 0 JIAAMO Cc1ccc(C[N@H+]2CCCN(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1 ZINC000023247979 556034076 /nfs/dbraw/zinc/03/40/76/556034076.db2.gz IPHGGSLTPAMHEA-PMERELPUSA-N 1 1 482.628 4.150 50 0 JIAAMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CO[C@@H](c3ccccc3)c3ccccc3C)CC2)cc1 ZINC000023389327 556051404 /nfs/dbraw/zinc/05/14/04/556051404.db2.gz RRILBAJUSDBCJQ-PXJZQJOASA-N 1 1 458.602 4.487 50 0 JIAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 ZINC000012567884 556067747 /nfs/dbraw/zinc/06/77/47/556067747.db2.gz YZYWVFHFGDBAFF-SFHVURJKSA-N 1 1 465.598 4.417 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000012588561 556084890 /nfs/dbraw/zinc/08/48/90/556084890.db2.gz PHGDKKCGIQCKKC-VWLOTQADSA-N 1 1 457.574 4.143 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@@]21[C@H](C(=O)c2ccccc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000016010073 556109487 /nfs/dbraw/zinc/10/94/87/556109487.db2.gz NEPASYFAGKCLAO-GXQHJZMOSA-N 1 1 463.537 4.010 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016011842 556110641 /nfs/dbraw/zinc/11/06/41/556110641.db2.gz YPJRDMQHTFIOQP-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016011842 556110642 /nfs/dbraw/zinc/11/06/42/556110642.db2.gz YPJRDMQHTFIOQP-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023989353 556112827 /nfs/dbraw/zinc/11/28/27/556112827.db2.gz UAOLDOHQWYJLSP-KRWDZBQOSA-N 1 1 483.663 4.296 50 0 JIAAMO O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000024754632 556150049 /nfs/dbraw/zinc/15/00/49/556150049.db2.gz CETJYJDPCDJEPD-UHFFFAOYSA-N 1 1 486.635 4.272 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891235 556172542 /nfs/dbraw/zinc/17/25/42/556172542.db2.gz WUZMFGMSRWJWLQ-DFBJGRDBSA-N 1 1 465.619 4.447 50 0 JIAAMO COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000016891226 556172588 /nfs/dbraw/zinc/17/25/88/556172588.db2.gz YFNWSCBRLHJMDS-DFBJGRDBSA-N 1 1 495.645 4.456 50 0 JIAAMO Cc1cc(O)c([C@H](c2ccccn2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993607 556197541 /nfs/dbraw/zinc/19/75/41/556197541.db2.gz BDLSVUPPEWWIFT-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO CCc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000017045707 556210818 /nfs/dbraw/zinc/21/08/18/556210818.db2.gz CWUPAYXEUIJXNS-KAYWLYCHSA-N 1 1 466.585 4.111 50 0 JIAAMO COc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025480555 556217944 /nfs/dbraw/zinc/21/79/44/556217944.db2.gz XXBYDHMMYPBHLF-XTEPFMGCSA-N 1 1 455.558 4.284 50 0 JIAAMO CCn1c(=O)c2cc(Br)ccc2nc1SC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000025777021 556233179 /nfs/dbraw/zinc/23/31/79/556233179.db2.gz YCSJJGOQKWAQIK-GOSISDBHSA-N 1 1 474.424 4.172 50 0 JIAAMO CCn1c(=O)c2cc(Br)ccc2nc1SC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000025777021 556233184 /nfs/dbraw/zinc/23/31/84/556233184.db2.gz YCSJJGOQKWAQIK-GOSISDBHSA-N 1 1 474.424 4.172 50 0 JIAAMO O=C(Nc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)Nc1cccc(Cl)c1 ZINC000017179095 556233799 /nfs/dbraw/zinc/23/37/99/556233799.db2.gz CNTSBZDLVMMPCC-UHFFFAOYSA-N 1 1 469.998 4.327 50 0 JIAAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000013056799 556251707 /nfs/dbraw/zinc/25/17/07/556251707.db2.gz NZGNKHCFEBAJAV-UHFFFAOYSA-N 1 1 464.031 4.284 50 0 JIAAMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000013056799 556251710 /nfs/dbraw/zinc/25/17/10/556251710.db2.gz NZGNKHCFEBAJAV-UHFFFAOYSA-N 1 1 464.031 4.284 50 0 JIAAMO COc1ccc(-c2nc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cs2)cc1OC ZINC000029773512 556357304 /nfs/dbraw/zinc/35/73/04/556357304.db2.gz YAIRJTMPTFVHQT-UHFFFAOYSA-N 1 1 455.555 4.315 50 0 JIAAMO COc1ccc(-c2nc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cs2)cc1OC ZINC000029773512 556357309 /nfs/dbraw/zinc/35/73/09/556357309.db2.gz YAIRJTMPTFVHQT-UHFFFAOYSA-N 1 1 455.555 4.315 50 0 JIAAMO Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC[N@H+]4CCc5ccccc5C4)cc3)n2)cc1 ZINC000032579070 556446160 /nfs/dbraw/zinc/44/61/60/556446160.db2.gz OXBJIDRGMGOABG-UHFFFAOYSA-N 1 1 468.557 4.265 50 0 JIAAMO O=C(c1cccnc1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055309181 569591484 /nfs/dbraw/zinc/59/14/84/569591484.db2.gz JCRNNQNVVWSDAN-XMMPIXPASA-N 1 1 488.607 4.474 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000057111186 569594429 /nfs/dbraw/zinc/59/44/29/569594429.db2.gz KCHVYXZPZJNAHH-OMICENBGSA-N 1 1 481.527 4.149 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000057111186 569594430 /nfs/dbraw/zinc/59/44/30/569594430.db2.gz KCHVYXZPZJNAHH-OMICENBGSA-N 1 1 481.527 4.149 50 0 JIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000057286273 569595528 /nfs/dbraw/zinc/59/55/28/569595528.db2.gz AJWXFJIZMMAYBU-DEOSSOPVSA-N 1 1 469.632 4.240 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c2c1C ZINC000008735153 569601854 /nfs/dbraw/zinc/60/18/54/569601854.db2.gz OFAMTNKKKKNQOD-UHFFFAOYSA-N 1 1 492.693 4.281 50 0 JIAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000059487370 569605317 /nfs/dbraw/zinc/60/53/17/569605317.db2.gz WLWRWWMRVLYYQB-WLGONLEPSA-N 1 1 483.955 4.355 50 0 biogenic JIAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000059487370 569605319 /nfs/dbraw/zinc/60/53/19/569605319.db2.gz WLWRWWMRVLYYQB-WLGONLEPSA-N 1 1 483.955 4.355 50 0 biogenic JIAAMO COc1cccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059487380 569605388 /nfs/dbraw/zinc/60/53/88/569605388.db2.gz ZENSQUXNPDFMBE-LPKQAODOSA-N 1 1 493.563 4.018 50 0 biogenic JIAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000061997764 569609944 /nfs/dbraw/zinc/60/99/44/569609944.db2.gz REPRGRJYMMLSNR-LJUDXYAASA-N 1 1 469.566 4.071 50 0 biogenic JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000061999342 569610037 /nfs/dbraw/zinc/61/00/37/569610037.db2.gz OZCCPRUAIQWUJS-BAAZAXTHSA-N 1 1 477.564 4.318 50 0 biogenic JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000064165487 569616344 /nfs/dbraw/zinc/61/63/44/569616344.db2.gz DJEIXMPUWMBXGD-AOUJKTHWSA-N 1 1 467.953 4.096 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000064165487 569616345 /nfs/dbraw/zinc/61/63/45/569616345.db2.gz DJEIXMPUWMBXGD-AOUJKTHWSA-N 1 1 467.953 4.096 50 0 JIAAMO Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N4CC[NH+](C5CCCCC5)CC4)c3)n2)cc1 ZINC000064610894 569622990 /nfs/dbraw/zinc/62/29/90/569622990.db2.gz VUXYRTUDMKIVHD-UHFFFAOYSA-N 1 1 466.607 4.351 50 0 JIAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC000034681708 569643630 /nfs/dbraw/zinc/64/36/30/569643630.db2.gz HKEMIRIQXQPTBJ-UHFFFAOYSA-N 1 1 450.970 4.465 50 0 JIAAMO CC(C)(C)C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034830036 569663697 /nfs/dbraw/zinc/66/36/97/569663697.db2.gz MBKQOTNEMPQGAO-DEOSSOPVSA-N 1 1 453.652 4.193 50 0 JIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccco1 ZINC000034830095 569663703 /nfs/dbraw/zinc/66/37/03/569663703.db2.gz NUYDYOAYFJRNKZ-DFBJGRDBSA-N 1 1 463.603 4.052 50 0 JIAAMO CC(C)(C)CC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034830469 569663837 /nfs/dbraw/zinc/66/38/37/569663837.db2.gz WGPOAMYNLUDCCW-RUZDIDTESA-N 1 1 471.642 4.332 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000034830384 569663854 /nfs/dbraw/zinc/66/38/54/569663854.db2.gz UDZJUEYWVZNLJR-GBXCKJPGSA-N 1 1 453.652 4.109 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000065614942 569676336 /nfs/dbraw/zinc/67/63/36/569676336.db2.gz PFASDOJHLDFLIH-QFIPXVFZSA-N 1 1 458.002 4.110 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3F)[nH]c(=O)c2C1 ZINC000067291333 569685692 /nfs/dbraw/zinc/68/56/92/569685692.db2.gz ITSFHOMDJCEDDQ-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3F)[nH]c(=O)c2C1 ZINC000067291333 569685693 /nfs/dbraw/zinc/68/56/93/569685693.db2.gz ITSFHOMDJCEDDQ-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO CCCCN1C(=O)C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000068710722 569691656 /nfs/dbraw/zinc/69/16/56/569691656.db2.gz UCALTGYVCZYRGD-KCWPFWIISA-N 1 1 499.602 4.444 50 0 JIAAMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000084536007 569709422 /nfs/dbraw/zinc/70/94/22/569709422.db2.gz ZSMVJRBPOUOLDJ-FGZHOGPDSA-N 1 1 485.575 4.311 50 0 JIAAMO O=C(NCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871509 569718806 /nfs/dbraw/zinc/71/88/06/569718806.db2.gz OONLYAQEVINLIU-JTHBVZDNSA-N 1 1 458.528 4.022 50 0 JIAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035925681 569729026 /nfs/dbraw/zinc/72/90/26/569729026.db2.gz OOILOIDVIQVXDZ-UHFFFAOYSA-N 1 1 456.594 4.489 50 0 JIAAMO CCC[C@@H](O)C[N@H+](C)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927992 569730655 /nfs/dbraw/zinc/73/06/55/569730655.db2.gz AJIWYQVAWAHOGM-XMMPIXPASA-N 1 1 450.602 4.471 50 0 JIAAMO CCC[C@@H](O)C[N@@H+](C)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927992 569730656 /nfs/dbraw/zinc/73/06/56/569730656.db2.gz AJIWYQVAWAHOGM-XMMPIXPASA-N 1 1 450.602 4.471 50 0 JIAAMO Cc1cn2c(/C=C\C(=O)N3CC[NH+](CCCc4nc(-c5ccc(C)cc5)no4)CC3)c(C)nc2s1 ZINC000096130213 569736266 /nfs/dbraw/zinc/73/62/66/569736266.db2.gz IEXGXCPCZXNKTP-KHPPLWFESA-N 1 1 490.633 4.161 50 0 JIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccc2c(c1)OCO2 ZINC000036312929 569760472 /nfs/dbraw/zinc/76/04/72/569760472.db2.gz QMEWYONXJVOTNQ-QHCPKHFHSA-N 1 1 493.604 4.459 50 0 JIAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccc2c(c1)OCO2 ZINC000036312929 569760473 /nfs/dbraw/zinc/76/04/73/569760473.db2.gz QMEWYONXJVOTNQ-QHCPKHFHSA-N 1 1 493.604 4.459 50 0 JIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000036316067 569762034 /nfs/dbraw/zinc/76/20/34/569762034.db2.gz BNRXGQQINYZXKV-DEOSSOPVSA-N 1 1 478.637 4.093 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000036341234 569764336 /nfs/dbraw/zinc/76/43/36/569764336.db2.gz FFPKLDYMJVKSEI-GDLZYMKVSA-N 1 1 498.627 4.199 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343731 569766479 /nfs/dbraw/zinc/76/64/79/569766479.db2.gz SVIGNYUJYNOFTI-CVDCTZTESA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343731 569766480 /nfs/dbraw/zinc/76/64/80/569766480.db2.gz SVIGNYUJYNOFTI-CVDCTZTESA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344584 569767042 /nfs/dbraw/zinc/76/70/42/569767042.db2.gz QXFAKHFMUYPBCO-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344584 569767044 /nfs/dbraw/zinc/76/70/44/569767044.db2.gz QXFAKHFMUYPBCO-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1cccnc1 ZINC000038545857 569802459 /nfs/dbraw/zinc/80/24/59/569802459.db2.gz YOTDNTSDEONCFC-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(OC)c(Cl)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101878970 569807057 /nfs/dbraw/zinc/80/70/57/569807057.db2.gz GFZMAXDRMNDYQX-UHFFFAOYSA-N 1 1 480.996 4.055 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(OC)c(Cl)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878970 569807059 /nfs/dbraw/zinc/80/70/59/569807059.db2.gz GFZMAXDRMNDYQX-UHFFFAOYSA-N 1 1 480.996 4.055 50 0 JIAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C[C@@H](C)O1 ZINC000040047017 569814891 /nfs/dbraw/zinc/81/48/91/569814891.db2.gz VRPQNMHDIQJYJB-ZIAGYGMSSA-N 1 1 458.912 4.162 50 0 JIAAMO Cc1cccc(-n2c(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nnc2-c2ccncc2)c1 ZINC000040387566 569824443 /nfs/dbraw/zinc/82/44/43/569824443.db2.gz ZSBDHQTVKWSSFS-UHFFFAOYSA-N 1 1 484.629 4.318 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000103903201 569838979 /nfs/dbraw/zinc/83/89/79/569838979.db2.gz LWMXCQOFZGXXDH-OFNKIYASSA-N 1 1 452.643 4.427 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985342 569848757 /nfs/dbraw/zinc/84/87/57/569848757.db2.gz LLCHXWAXCCFIAI-ILBGXUMGSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985342 569848759 /nfs/dbraw/zinc/84/87/59/569848759.db2.gz LLCHXWAXCCFIAI-ILBGXUMGSA-N 1 1 452.501 4.400 50 0 JIAAMO COc1ccc(C[C@H]([NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000049590299 569849431 /nfs/dbraw/zinc/84/94/31/569849431.db2.gz ZTJOXRSRAPPHLJ-QFIPXVFZSA-N 1 1 475.545 4.031 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008200 569850207 /nfs/dbraw/zinc/85/02/07/569850207.db2.gz PEDYDMFQKNUUQS-YADARESESA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008200 569850209 /nfs/dbraw/zinc/85/02/09/569850209.db2.gz PEDYDMFQKNUUQS-YADARESESA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008666 569850352 /nfs/dbraw/zinc/85/03/52/569850352.db2.gz MFMRSHMEAYRJGT-PGRDOPGGSA-N 1 1 497.979 4.022 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000105008666 569850354 /nfs/dbraw/zinc/85/03/54/569850354.db2.gz MFMRSHMEAYRJGT-PGRDOPGGSA-N 1 1 497.979 4.022 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000106155169 569853842 /nfs/dbraw/zinc/85/38/42/569853842.db2.gz AJDJEASCEUBGGS-GMAHTHKFSA-N 1 1 454.014 4.221 50 0 JIAAMO O=C(NCc1ccncc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000106606237 569854348 /nfs/dbraw/zinc/85/43/48/569854348.db2.gz LSNMGCOHUAYBRJ-ILBGXUMGSA-N 1 1 498.524 4.419 50 0 JIAAMO O=C(NCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679280 569869590 /nfs/dbraw/zinc/86/95/90/569869590.db2.gz OONLYAQEVINLIU-GMAHTHKFSA-N 1 1 458.528 4.022 50 0 JIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)c1 ZINC000229663481 570041010 /nfs/dbraw/zinc/04/10/10/570041010.db2.gz GFPWAQIHWBGSEM-PPSLNNBKSA-N 1 1 493.563 4.018 50 0 JIAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000245279899 570061673 /nfs/dbraw/zinc/06/16/73/570061673.db2.gz JLIPPFYTAUXHIZ-XUZZJYLKSA-N 1 1 474.667 4.061 50 0 JIAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC1CC1 ZINC000245279947 570061688 /nfs/dbraw/zinc/06/16/88/570061688.db2.gz KSPOAOFVXHDJFI-XUZZJYLKSA-N 1 1 456.652 4.434 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245280460 570061816 /nfs/dbraw/zinc/06/18/16/570061816.db2.gz RLCULUKWQZYZLP-ILBGXUMGSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245280460 570061818 /nfs/dbraw/zinc/06/18/18/570061818.db2.gz RLCULUKWQZYZLP-ILBGXUMGSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245280845 570062078 /nfs/dbraw/zinc/06/20/78/570062078.db2.gz UOOAVECXJGMSEM-ISKFKSNPSA-N 1 1 483.584 4.397 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@@H]1CCCO1 ZINC000245330382 570066833 /nfs/dbraw/zinc/06/68/33/570066833.db2.gz XXRCPFYLRVCLPP-MZYLBHOOSA-N 1 1 457.615 4.099 50 0 JIAAMO CC1CCN(Cc2nc3sc4c(c3c(N3CCC[N@@H+](C[C@H]5CCCO5)CC3)n2)CCC4)CC1 ZINC000247822045 570069771 /nfs/dbraw/zinc/06/97/71/570069771.db2.gz HDTXPDBFIFFVNN-HXUWFJFHSA-N 1 1 469.699 4.103 50 0 JIAAMO COc1ccc(C[N@@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@@H]32)cc1OC ZINC000248329527 570077694 /nfs/dbraw/zinc/07/76/94/570077694.db2.gz DFILFLBFZIMCIO-JMGFHGDASA-N 1 1 457.611 4.202 50 0 JIAAMO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3CC)C2)CC1 ZINC000249694999 570078730 /nfs/dbraw/zinc/07/87/30/570078730.db2.gz QCQOBWFDRIIOGH-QHCPKHFHSA-N 1 1 459.638 4.179 50 0 JIAAMO COC(=O)CC[C@H]1CN(Cc2c(F)cccc2F)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000299758707 570174346 /nfs/dbraw/zinc/17/43/46/570174346.db2.gz MLGVRSMGMDQNFI-YADARESESA-N 1 1 488.575 4.184 50 0 JIAAMO CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)CC[NH+](CC)CC)cc21 ZINC000001793693 194141533 /nfs/dbraw/zinc/14/15/33/194141533.db2.gz DOXLERIYHMSOMJ-UHFFFAOYSA-N 1 1 450.627 4.462 50 0 JIAAMO CC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289365 194665679 /nfs/dbraw/zinc/66/56/79/194665679.db2.gz DBHAJVGGSVBHCF-QKLQHJQFSA-N 1 1 454.640 4.355 50 0 JIAAMO COc1cc2nc(NCCC[N@@H+](C)Cc3ccccc3)n3nc(-c4cccnc4)nc3c2cc1OC ZINC000009831161 194981081 /nfs/dbraw/zinc/98/10/81/194981081.db2.gz BPXVNRLPFRHPFZ-UHFFFAOYSA-N 1 1 483.576 4.291 50 0 JIAAMO Cc1occc1-c1nnc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000012642207 195071909 /nfs/dbraw/zinc/07/19/09/195071909.db2.gz IVXFGCVQDHHFAS-NRFANRHFSA-N 1 1 473.602 4.319 50 0 JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000012662336 195081649 /nfs/dbraw/zinc/08/16/49/195081649.db2.gz UCEGJTAQUBKYER-RJWMVNQGSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000012662336 195081651 /nfs/dbraw/zinc/08/16/51/195081651.db2.gz UCEGJTAQUBKYER-RJWMVNQGSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012693346 195089365 /nfs/dbraw/zinc/08/93/65/195089365.db2.gz MCXXMABDGUEYBL-FQEVSTJZSA-N 1 1 480.030 4.065 50 0 JIAAMO Cc1ccc(S(=O)(=O)n2cc(CCC[N@H+]3CCn4cccc4[C@H]3C)c(C(F)(F)F)n2)cc1 ZINC000012775364 195120287 /nfs/dbraw/zinc/12/02/87/195120287.db2.gz FKYLURSBFCXXSB-QGZVFWFLSA-N 1 1 466.529 4.258 50 0 JIAAMO O=C(CSCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000012798279 195137662 /nfs/dbraw/zinc/13/76/62/195137662.db2.gz GCBVBTYFTNJKIJ-UHFFFAOYSA-N 1 1 477.605 4.431 50 0 JIAAMO CCOc1ccc(Sc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020724947 195207053 /nfs/dbraw/zinc/20/70/53/195207053.db2.gz CMRACTYOSXZASA-UHFFFAOYSA-N 1 1 451.592 4.237 50 0 JIAAMO CCOC(=O)c1c(C)oc2ncnc(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c21 ZINC000020942009 195255930 /nfs/dbraw/zinc/25/59/30/195255930.db2.gz NSXFHWTXBOKGER-SFHVURJKSA-N 1 1 451.571 4.029 50 0 JIAAMO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c2-n2cccc2)cc1 ZINC000020933698 195252244 /nfs/dbraw/zinc/25/22/44/195252244.db2.gz VPZZLTNWRUTSGE-UHFFFAOYSA-N 1 1 486.595 4.053 50 0 JIAAMO COc1ccc(-c2noc(NCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1OC ZINC000020996806 195264974 /nfs/dbraw/zinc/26/49/74/195264974.db2.gz LLNZIYZIMSUKGG-UHFFFAOYSA-N 1 1 477.487 4.007 50 0 JIAAMO CC(C)c1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000033139850 519869694 /nfs/dbraw/zinc/86/96/94/519869694.db2.gz UHGBTEWWZJTUGI-UHFFFAOYSA-N 1 1 471.403 4.167 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303668 520090753 /nfs/dbraw/zinc/09/07/53/520090753.db2.gz HRCYCVVENCRPRX-QFIPXVFZSA-N 1 1 474.001 4.472 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303668 520090761 /nfs/dbraw/zinc/09/07/61/520090761.db2.gz HRCYCVVENCRPRX-QFIPXVFZSA-N 1 1 474.001 4.472 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036309280 520091758 /nfs/dbraw/zinc/09/17/58/520091758.db2.gz BNTHIQDVVCNFLR-UGKGYDQZSA-N 1 1 481.058 4.014 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C1CCCCC1 ZINC000036206576 520154110 /nfs/dbraw/zinc/15/41/10/520154110.db2.gz SBIMWLHBNQQUNS-GOSISDBHSA-N 1 1 471.623 4.192 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)Cc1ccccc1 ZINC000036309945 520318516 /nfs/dbraw/zinc/31/85/16/520318516.db2.gz WXCATHIYEHFGLP-NOZRDPDXSA-N 1 1 478.658 4.487 50 0 JIAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(OC)cc4OC)CC3)C2=O)cc1 ZINC000018220123 520385825 /nfs/dbraw/zinc/38/58/25/520385825.db2.gz AIQOXLPHNJHLNE-VWLOTQADSA-N 1 1 480.605 4.469 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3n(Cc3ccccn3)c2=O)C1 ZINC000012452473 520540642 /nfs/dbraw/zinc/54/06/42/520540642.db2.gz RQPRYCYEIFPVBO-FQEVSTJZSA-N 1 1 467.013 4.179 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000012387566 520926040 /nfs/dbraw/zinc/92/60/40/520926040.db2.gz KSXFTKWYPRYRGB-QGZVFWFLSA-N 1 1 451.995 4.400 50 0 JIAAMO CC1CCN(c2nc3ccc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3s2)CC1 ZINC000020415003 521048240 /nfs/dbraw/zinc/04/82/40/521048240.db2.gz BIXIVJOLELKSDX-UHFFFAOYSA-N 1 1 491.705 4.470 50 0 JIAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)sc2c1 ZINC000020383618 521303125 /nfs/dbraw/zinc/30/31/25/521303125.db2.gz UTKRCOWOPHRPHG-OAQYLSRUSA-N 1 1 464.635 4.256 50 0 JIAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)nc1 ZINC000033474408 521499183 /nfs/dbraw/zinc/49/91/83/521499183.db2.gz BSSATGVOJARIAC-XFXZXTDPSA-N 1 1 462.619 4.132 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COC(C)C ZINC000036309221 521537615 /nfs/dbraw/zinc/53/76/15/521537615.db2.gz JQUDEFAMVSQVAS-GMAHTHKFSA-N 1 1 474.667 4.059 50 0 JIAAMO CCOC(=O)c1ncoc1-c1ccccc1C(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000033131138 521600163 /nfs/dbraw/zinc/60/01/63/521600163.db2.gz PAGJWBAYBNASPF-UHFFFAOYSA-N 1 1 496.995 4.032 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697663 522062682 /nfs/dbraw/zinc/06/26/82/522062682.db2.gz YEGJMYNMKDWJKF-RUZDIDTESA-N 1 1 485.987 4.213 50 0 JIAAMO COc1cc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)s2)cc(OC)c1OC ZINC000012456756 522495280 /nfs/dbraw/zinc/49/52/80/522495280.db2.gz PYSSBBIKQDGGIE-QGZVFWFLSA-N 1 1 471.627 4.295 50 0 JIAAMO COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[C@@H]4CCCCC[N@H+]4C)c(C)o3)cc2)o1 ZINC000012198364 522966721 /nfs/dbraw/zinc/96/67/21/522966721.db2.gz KJLUICRLKFQTRS-QFIPXVFZSA-N 1 1 480.565 4.132 50 0 JIAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036206423 523269246 /nfs/dbraw/zinc/26/92/46/523269246.db2.gz LOICGNNYDJONJF-LJQANCHMSA-N 1 1 494.057 4.177 50 0 JIAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036206423 523269257 /nfs/dbraw/zinc/26/92/57/523269257.db2.gz LOICGNNYDJONJF-LJQANCHMSA-N 1 1 494.057 4.177 50 0 JIAAMO COCCC[N@H+]1CCc2nc(SCc3nc(-c4cccc(Cl)c4)oc3C)[nH]c(=O)c2C1 ZINC000033287170 523305980 /nfs/dbraw/zinc/30/59/80/523305980.db2.gz SFHUQWSQJLTYHN-UHFFFAOYSA-N 1 1 460.987 4.486 50 0 JIAAMO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014752495 523609111 /nfs/dbraw/zinc/60/91/11/523609111.db2.gz GTDSUHHCPZBTDU-HXUWFJFHSA-N 1 1 468.985 4.174 50 0 JIAAMO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014752495 523609119 /nfs/dbraw/zinc/60/91/19/523609119.db2.gz GTDSUHHCPZBTDU-HXUWFJFHSA-N 1 1 468.985 4.174 50 0 JIAAMO CN1CC[NH+](CCCNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)CC1 ZINC000033035457 523899605 /nfs/dbraw/zinc/89/96/05/523899605.db2.gz HBUURQPMPJVULE-HSZRJFAPSA-N 1 1 498.071 4.119 50 0 JIAAMO Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000048361875 524184346 /nfs/dbraw/zinc/18/43/46/524184346.db2.gz QFPVRUHNAQOFGW-CTNGQTDRSA-N 1 1 466.607 4.137 50 0 JIAAMO Cc1cc(C)c(-c2cc(NC(=O)CN3CC[NH+](C[C@@H]4CCCO4)CC3)n(-c3ccccc3)n2)cc1C ZINC000022790124 524210827 /nfs/dbraw/zinc/21/08/27/524210827.db2.gz CKINCBFEQIEXNY-VWLOTQADSA-N 1 1 487.648 4.200 50 0 JIAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)cc1 ZINC000036063973 524415051 /nfs/dbraw/zinc/41/50/51/524415051.db2.gz OULOZNOEDARPJK-UHFFFAOYSA-N 1 1 458.562 4.182 50 0 JIAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)cc1 ZINC000036063973 524415060 /nfs/dbraw/zinc/41/50/60/524415060.db2.gz OULOZNOEDARPJK-UHFFFAOYSA-N 1 1 458.562 4.182 50 0 JIAAMO Cc1ccc(CNC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000035456374 524510887 /nfs/dbraw/zinc/51/08/87/524510887.db2.gz GAWHDQZOLGNICK-UHFFFAOYSA-N 1 1 492.623 4.402 50 0 JIAAMO Cc1ccc(CNC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000035456374 524510892 /nfs/dbraw/zinc/51/08/92/524510892.db2.gz GAWHDQZOLGNICK-UHFFFAOYSA-N 1 1 492.623 4.402 50 0 JIAAMO Cc1cc(N2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275059 525052339 /nfs/dbraw/zinc/05/23/39/525052339.db2.gz HVEFTNHACHNSFI-FQEVSTJZSA-N 1 1 492.643 4.298 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000016393414 525299419 /nfs/dbraw/zinc/29/94/19/525299419.db2.gz XFUDCBVPMWEVBB-UHFFFAOYSA-N 1 1 477.630 4.073 50 0 JIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)C(C)C)cc1 ZINC000036309533 525434439 /nfs/dbraw/zinc/43/44/39/525434439.db2.gz LBKGXMYTMVBARQ-XUZZJYLKSA-N 1 1 474.667 4.058 50 0 JIAAMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022785077 525583445 /nfs/dbraw/zinc/58/34/45/525583445.db2.gz WWOWRMWJSXVSIV-SQJMNOBHSA-N 1 1 469.676 4.282 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456402 525820623 /nfs/dbraw/zinc/82/06/23/525820623.db2.gz DAXVYQIRXGNUAT-UHFFFAOYSA-N 1 1 496.586 4.233 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456402 525820634 /nfs/dbraw/zinc/82/06/34/525820634.db2.gz DAXVYQIRXGNUAT-UHFFFAOYSA-N 1 1 496.586 4.233 50 0 JIAAMO Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000085822553 525872039 /nfs/dbraw/zinc/87/20/39/525872039.db2.gz OWGHJEKXWLZURW-UHFFFAOYSA-N 1 1 466.607 4.351 50 0 JIAAMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(C)c1 ZINC000033280356 525910631 /nfs/dbraw/zinc/91/06/31/525910631.db2.gz ZTHWNHMUKURZOZ-QFIPXVFZSA-N 1 1 499.659 4.322 50 0 JIAAMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(C)c1 ZINC000033280356 525910641 /nfs/dbraw/zinc/91/06/41/525910641.db2.gz ZTHWNHMUKURZOZ-QFIPXVFZSA-N 1 1 499.659 4.322 50 0 JIAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(C)cc3C)n2n1 ZINC000008609673 526246691 /nfs/dbraw/zinc/24/66/91/526246691.db2.gz ASRCUBAMNTYYMI-UHFFFAOYSA-N 1 1 471.590 4.373 50 0 JIAAMO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000014976425 526402879 /nfs/dbraw/zinc/40/28/79/526402879.db2.gz RPHOECRZGMETOJ-UHFFFAOYSA-N 1 1 450.546 4.457 50 0 JIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCC([C@H](O)c2cccnc2)CC1 ZINC000014973130 526495603 /nfs/dbraw/zinc/49/56/03/526495603.db2.gz QLWHVNYQJZDFPT-YTMVLYRLSA-N 1 1 471.601 4.380 50 0 JIAAMO OCCOc1cccc(C[N@@H+]2CCOc3ccc(C4(O)CCN(c5ccccc5F)CC4)cc3C2)c1 ZINC000014986140 527557984 /nfs/dbraw/zinc/55/79/84/527557984.db2.gz RHJCBNLHAWCVRC-UHFFFAOYSA-N 1 1 492.591 4.079 50 0 JIAAMO OCCOc1cccc(C[N@H+]2CCOc3ccc(C4(O)CCN(c5ccccc5F)CC4)cc3C2)c1 ZINC000014986140 527557989 /nfs/dbraw/zinc/55/79/89/527557989.db2.gz RHJCBNLHAWCVRC-UHFFFAOYSA-N 1 1 492.591 4.079 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967977 527666252 /nfs/dbraw/zinc/66/62/52/527666252.db2.gz UXXSMSLDJPISLU-UHFFFAOYSA-N 1 1 468.601 4.356 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000008610254 527667967 /nfs/dbraw/zinc/66/79/67/527667967.db2.gz UHCCYFSSSFLRNA-UHFFFAOYSA-N 1 1 481.641 4.368 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2[C@H](C)COC)CC1 ZINC000096289354 535643349 /nfs/dbraw/zinc/64/33/49/535643349.db2.gz PERKARDDYWQFSZ-OAQYLSRUSA-N 1 1 493.677 4.146 50 0 JIAAMO Cc1[nH]c2ccccc2c1[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000002296017 554137853 /nfs/dbraw/zinc/13/78/53/554137853.db2.gz IWSRKBMDBNICSK-FTJBHMTQSA-N 1 1 465.553 4.405 50 0 JIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002398850 554184398 /nfs/dbraw/zinc/18/43/98/554184398.db2.gz WFALGJSNNQEEKQ-ZEQRLZLVSA-N 1 1 454.461 4.417 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000002449432 554216497 /nfs/dbraw/zinc/21/64/97/554216497.db2.gz QYHBXRKBQHUVCN-LNRXMEIDSA-N 1 1 464.949 4.479 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000002449432 554216498 /nfs/dbraw/zinc/21/64/98/554216498.db2.gz QYHBXRKBQHUVCN-LNRXMEIDSA-N 1 1 464.949 4.479 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(Cn2cc(Br)cn2)o1 ZINC000004489374 554477790 /nfs/dbraw/zinc/47/77/90/554477790.db2.gz CPVKIAHAOPJYAZ-UYAOXDASSA-N 1 1 455.356 4.043 50 0 JIAAMO Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCC[N@@H+]4CCCC[C@H]4C)c(=O)c32)c1 ZINC000008933236 554827053 /nfs/dbraw/zinc/82/70/53/554827053.db2.gz GSNHYKJZQOSINM-JOCHJYFZSA-N 1 1 485.632 4.007 50 0 JIAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000008965371 554839704 /nfs/dbraw/zinc/83/97/04/554839704.db2.gz YCAMTBXJFPFKIP-OYRHEFFESA-N 1 1 477.653 4.353 50 0 JIAAMO CCOC(=O)Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000009151121 554937046 /nfs/dbraw/zinc/93/70/46/554937046.db2.gz UTXGUIQJEVMZCA-UHFFFAOYSA-N 1 1 466.607 4.344 50 0 JIAAMO COc1ccc(CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)c(OC)c1 ZINC000009287894 555061435 /nfs/dbraw/zinc/06/14/35/555061435.db2.gz JVWZKQDQNGZTSC-QFIPXVFZSA-N 1 1 456.970 4.334 50 0 JIAAMO CC[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289392 555063666 /nfs/dbraw/zinc/06/36/66/555063666.db2.gz CMMFYWSTSNNPPA-JOCHJYFZSA-N 1 1 474.630 4.435 50 0 JIAAMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000009314106 555089656 /nfs/dbraw/zinc/08/96/56/555089656.db2.gz WXWQCFGXRJFLEJ-QFIPXVFZSA-N 1 1 498.048 4.165 50 0 JIAAMO Cc1c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009388376 555149788 /nfs/dbraw/zinc/14/97/88/555149788.db2.gz IYIWUVQZQKTMFB-FQEVSTJZSA-N 1 1 497.599 4.368 50 0 JIAAMO Cc1c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009388376 555149789 /nfs/dbraw/zinc/14/97/89/555149789.db2.gz IYIWUVQZQKTMFB-FQEVSTJZSA-N 1 1 497.599 4.368 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000009559267 555353537 /nfs/dbraw/zinc/35/35/37/555353537.db2.gz PRUGRARUEHCLGD-KAYWLYCHSA-N 1 1 493.648 4.169 50 0 JIAAMO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000009674037 555398731 /nfs/dbraw/zinc/39/87/31/555398731.db2.gz FGHQQMNKJVWVAJ-UHFFFAOYSA-N 1 1 456.590 4.470 50 0 JIAAMO Cc1ccc(-n2nc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682044 555410331 /nfs/dbraw/zinc/41/03/31/555410331.db2.gz UTIWBVBMBWZQKQ-OYRHEFFESA-N 1 1 485.632 4.284 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)CC)cc1)c1nc2ccc(F)cc2s1 ZINC000009707942 555431667 /nfs/dbraw/zinc/43/16/67/555431667.db2.gz UNYLDKXNRIGCDG-UHFFFAOYSA-N 1 1 463.600 4.218 50 0 JIAAMO O[C@@H](COc1ccc2cc(Br)ccc2c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019831831 555505350 /nfs/dbraw/zinc/50/53/50/555505350.db2.gz OIMFMRRATPQUES-JOCHJYFZSA-N 1 1 459.359 4.303 50 0 JIAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccc(COC)o4)n3CC2)cc1 ZINC000019837437 555507704 /nfs/dbraw/zinc/50/77/04/555507704.db2.gz YKZCYRWBSQPPKO-QHCPKHFHSA-N 1 1 479.625 4.155 50 0 JIAAMO COc1cccc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc21 ZINC000019863524 555521165 /nfs/dbraw/zinc/52/11/65/555521165.db2.gz JGFBCLXRNHVNIY-UHFFFAOYSA-N 1 1 454.526 4.349 50 0 JIAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000020033134 555608387 /nfs/dbraw/zinc/60/83/87/555608387.db2.gz IFEGAKSFXFLWRL-QHCPKHFHSA-N 1 1 468.594 4.469 50 0 JIAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000020033134 555608391 /nfs/dbraw/zinc/60/83/91/555608391.db2.gz IFEGAKSFXFLWRL-QHCPKHFHSA-N 1 1 468.594 4.469 50 0 JIAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn2)CC1 ZINC000010186600 555640086 /nfs/dbraw/zinc/64/00/86/555640086.db2.gz HOVUEWSGLRURJL-UHFFFAOYSA-N 1 1 472.376 4.220 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961004 555665504 /nfs/dbraw/zinc/66/55/04/555665504.db2.gz LZKPPLWELVQRAT-JYFHCDHNSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961004 555665507 /nfs/dbraw/zinc/66/55/07/555665507.db2.gz LZKPPLWELVQRAT-JYFHCDHNSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961004 555665510 /nfs/dbraw/zinc/66/55/10/555665510.db2.gz LZKPPLWELVQRAT-JYFHCDHNSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@H]2c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961004 555665512 /nfs/dbraw/zinc/66/55/12/555665512.db2.gz LZKPPLWELVQRAT-JYFHCDHNSA-N 1 1 493.604 4.240 50 0 JIAAMO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)sc3nc2c1 ZINC000020178778 555684050 /nfs/dbraw/zinc/68/40/50/555684050.db2.gz WABIMIVPKAPYJL-UHFFFAOYSA-N 1 1 474.630 4.396 50 0 JIAAMO COc1ccc(C2=NO[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000020248255 555742762 /nfs/dbraw/zinc/74/27/62/555742762.db2.gz KQYHCEFNNWMFCR-SANMLTNESA-N 1 1 455.558 4.122 50 0 JIAAMO CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(c3ccccc3OC)CC2)[C@@H](CCC(=O)OC)C1 ZINC000011784090 555815573 /nfs/dbraw/zinc/81/55/73/555815573.db2.gz VILOFMZVJFNVRZ-UKILVPOCSA-N 1 1 495.664 4.060 50 0 JIAAMO CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(c3ccccc3OC)CC2)[C@@H](CCC(=O)OC)C1 ZINC000011784090 555815577 /nfs/dbraw/zinc/81/55/77/555815577.db2.gz VILOFMZVJFNVRZ-UKILVPOCSA-N 1 1 495.664 4.060 50 0 JIAAMO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4cc(F)ccc4F)CC3)C2=O)cc1 ZINC000014531798 555819301 /nfs/dbraw/zinc/81/93/01/555819301.db2.gz GYZPOFBPQYTGPU-UHFFFAOYSA-N 1 1 471.548 4.428 50 0 JIAAMO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4nc(-c5ccccc5)cs4)CC3)C2=O)cc1 ZINC000014534430 555822971 /nfs/dbraw/zinc/82/29/71/555822971.db2.gz MMUDEVCCZRLLSZ-UHFFFAOYSA-N 1 1 476.602 4.248 50 0 JIAAMO COc1ccc(Cn2nc(C(=O)NC3CCCC3)c3c2CC[N@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000014537307 555826733 /nfs/dbraw/zinc/82/67/33/555826733.db2.gz RDWWUFMQGVMBTM-UHFFFAOYSA-N 1 1 474.605 4.179 50 0 JIAAMO COc1ccc(Cn2nc(C(=O)NC3CCCC3)c3c2CC[N@@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000014537307 555826736 /nfs/dbraw/zinc/82/67/36/555826736.db2.gz RDWWUFMQGVMBTM-UHFFFAOYSA-N 1 1 474.605 4.179 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014539627 555829684 /nfs/dbraw/zinc/82/96/84/555829684.db2.gz OVXGZYVWYRQPAL-LOSJGSFVSA-N 1 1 486.591 4.103 50 0 JIAAMO COc1ccccc1[C@H]1CN(CC(=O)N(C)C[C@@H]2CC[N@@H+](CC(C)C)C2)Cc2ccccc2O1 ZINC000011841392 555833907 /nfs/dbraw/zinc/83/39/07/555833907.db2.gz KTMOLJJWWDOPEM-WXVAWEFUSA-N 1 1 465.638 4.067 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3noc4c3CCc3sccc3-4)C[C@H]2C)c1 ZINC000020988117 555849298 /nfs/dbraw/zinc/84/92/98/555849298.db2.gz LXZUJJBOXMSBLM-GOSISDBHSA-N 1 1 450.608 4.141 50 0 JIAAMO CC1=C(CC[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)C(C)(C)CCC1 ZINC000015006775 555851237 /nfs/dbraw/zinc/85/12/37/555851237.db2.gz HFUXHPUCSRHZMV-UHFFFAOYSA-N 1 1 467.633 4.093 50 0 JIAAMO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)C(=O)N1C1CCCC1 ZINC000011912075 555860325 /nfs/dbraw/zinc/86/03/25/555860325.db2.gz WKRNUQSEJYVOAW-MUUNZHRXSA-N 1 1 489.595 4.390 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CC[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000012053009 555896929 /nfs/dbraw/zinc/89/69/29/555896929.db2.gz HYGCSTRCKSZUAE-SFTDATJTSA-N 1 1 481.662 4.041 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097619 555905071 /nfs/dbraw/zinc/90/50/71/555905071.db2.gz IJKVSTZYHQNDKU-VWLOTQADSA-N 1 1 492.664 4.120 50 0 JIAAMO CSc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000012122610 555909567 /nfs/dbraw/zinc/90/95/67/555909567.db2.gz GLPFOBMLPMWBSH-FQEVSTJZSA-N 1 1 453.612 4.169 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(F)cc4Cl)C3)n2)cc1OC ZINC000015726050 555963047 /nfs/dbraw/zinc/96/30/47/555963047.db2.gz OTZJFZTUNFOUPP-OAHLLOKOSA-N 1 1 474.920 4.397 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(F)cc4Cl)C3)n2)cc1OC ZINC000015726050 555963049 /nfs/dbraw/zinc/96/30/49/555963049.db2.gz OTZJFZTUNFOUPP-OAHLLOKOSA-N 1 1 474.920 4.397 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(C)c4)C3)n2)cc1OC ZINC000015726252 555963927 /nfs/dbraw/zinc/96/39/27/555963927.db2.gz KMCJXMPJBCXGQC-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(C)c4)C3)n2)cc1OC ZINC000015726252 555963930 /nfs/dbraw/zinc/96/39/30/555963930.db2.gz KMCJXMPJBCXGQC-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022919033 555972789 /nfs/dbraw/zinc/97/27/89/555972789.db2.gz XINGYKQBNKYCGZ-INIZCTEOSA-N 1 1 471.907 4.262 50 0 JIAAMO Cc1ccc(C(C)C)cc1OC[C@@H](O)CN1CC[NH+](C[C@H](O)COc2cc(C(C)C)ccc2C)CC1 ZINC000022943418 555993507 /nfs/dbraw/zinc/99/35/07/555993507.db2.gz ORKYVIHPLKAZNX-NSOVKSMOSA-N 1 1 498.708 4.347 50 0 JIAAMO CN(Cc1cnc2ccccn12)C(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000023128414 556017600 /nfs/dbraw/zinc/01/76/00/556017600.db2.gz LFHXQEWDETTZRT-RUZDIDTESA-N 1 1 458.537 4.458 50 0 JIAAMO CC(=O)N1CCN(c2ccc(Oc3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)cc2)CC1 ZINC000012543916 556020198 /nfs/dbraw/zinc/02/01/98/556020198.db2.gz RYPYCFAZXOWPEG-UHFFFAOYSA-N 1 1 465.623 4.365 50 0 JIAAMO CCc1ccc(Nc2nnc(SCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000012545235 556021274 /nfs/dbraw/zinc/02/12/74/556021274.db2.gz PTQMTUKAFPAIMQ-FQEVSTJZSA-N 1 1 453.637 4.327 50 0 JIAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000023211959 556031527 /nfs/dbraw/zinc/03/15/27/556031527.db2.gz BCJBLOPQPNJTJH-INIZCTEOSA-N 1 1 475.761 4.251 50 0 JIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCCC2)o1 ZINC000015860425 556031709 /nfs/dbraw/zinc/03/17/09/556031709.db2.gz VMTRAQIQBVXMPN-QGZVFWFLSA-N 1 1 459.340 4.414 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000975 556105706 /nfs/dbraw/zinc/10/57/06/556105706.db2.gz SWIKMMFFIIJRSK-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000016993571 556197577 /nfs/dbraw/zinc/19/75/77/556197577.db2.gz IAVGQYDHJTUJEI-GDLZYMKVSA-N 1 1 496.611 4.226 50 0 JIAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(COc3ccccc3Cl)n2C)CC1 ZINC000026460459 556254533 /nfs/dbraw/zinc/25/45/33/556254533.db2.gz AXPSTKVPTNODRS-GOSISDBHSA-N 1 1 486.041 4.045 50 0 JIAAMO COc1ccc(C[N@H+](C)Cn2c3cc(S(=O)(=O)N4CCCCC4)ccc3oc2=S)cc1 ZINC000013072639 556271554 /nfs/dbraw/zinc/27/15/54/556271554.db2.gz WNYMOTWIVPVMEL-UHFFFAOYSA-N 1 1 461.609 4.236 50 0 JIAAMO COc1ccc(C[N@@H+](C)Cn2c3cc(S(=O)(=O)N4CCCCC4)ccc3oc2=S)cc1 ZINC000013072639 556271555 /nfs/dbraw/zinc/27/15/55/556271555.db2.gz WNYMOTWIVPVMEL-UHFFFAOYSA-N 1 1 461.609 4.236 50 0 JIAAMO O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000018367628 556320551 /nfs/dbraw/zinc/32/05/51/556320551.db2.gz NCORVGKARQJYOI-UHFFFAOYSA-N 1 1 459.575 4.091 50 0 JIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCC2)cc1 ZINC000028290788 556328340 /nfs/dbraw/zinc/32/83/40/556328340.db2.gz YAVPEPHATFUMBR-IBGZPJMESA-N 1 1 471.351 4.131 50 0 JIAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(C)C)cc1 ZINC000029118881 556346973 /nfs/dbraw/zinc/34/69/73/556346973.db2.gz TXGASALQGHVOLF-QHCPKHFHSA-N 1 1 464.532 4.135 50 0 JIAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(C)C)cc1 ZINC000029118881 556346979 /nfs/dbraw/zinc/34/69/79/556346979.db2.gz TXGASALQGHVOLF-QHCPKHFHSA-N 1 1 464.532 4.135 50 0 JIAAMO COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1S2 ZINC000019593644 556355614 /nfs/dbraw/zinc/35/56/14/556355614.db2.gz PHIBDVLPQXJYJA-GOSISDBHSA-N 1 1 452.580 4.164 50 0 JIAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000019741277 556364046 /nfs/dbraw/zinc/36/40/46/556364046.db2.gz IGBTXUOQRFSGSN-OAQYLSRUSA-N 1 1 455.990 4.473 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1OC ZINC000030981265 556390700 /nfs/dbraw/zinc/39/07/00/556390700.db2.gz IUAGGGQQOJBIEF-UHFFFAOYSA-N 1 1 456.930 4.258 50 0 JIAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCC[N@@H+](C[C@@H]5CCCO5)CC4)cc3)ccc12 ZINC000032809834 556499582 /nfs/dbraw/zinc/49/95/82/556499582.db2.gz RVJJUIHDHJOVNA-DEOSSOPVSA-N 1 1 476.573 4.007 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000057140110 569594604 /nfs/dbraw/zinc/59/46/04/569594604.db2.gz DJEIXMPUWMBXGD-NNPDTBDGSA-N 1 1 467.953 4.096 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000057140110 569594605 /nfs/dbraw/zinc/59/46/05/569594605.db2.gz DJEIXMPUWMBXGD-NNPDTBDGSA-N 1 1 467.953 4.096 50 0 JIAAMO COc1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc(OC)c1OC ZINC000057256226 569594971 /nfs/dbraw/zinc/59/49/71/569594971.db2.gz WUFODWGYRJXLJZ-UHFFFAOYSA-N 1 1 479.552 4.426 50 0 JIAAMO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1Cl ZINC000057312320 569596277 /nfs/dbraw/zinc/59/62/77/569596277.db2.gz KXINSTWBUORAJR-QGZVFWFLSA-N 1 1 450.004 4.194 50 0 JIAAMO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+](C(C)C)C3CCCCC3)CC2)cc1 ZINC000032974015 569605331 /nfs/dbraw/zinc/60/53/31/569605331.db2.gz NXNLCSRXSXGUQO-UHFFFAOYSA-N 1 1 477.715 4.335 50 0 JIAAMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000060127894 569608505 /nfs/dbraw/zinc/60/85/05/569608505.db2.gz CNGNXQSTBLAJST-SXWKCWPCSA-N 1 1 457.640 4.061 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999506 569610055 /nfs/dbraw/zinc/61/00/55/569610055.db2.gz RWNBUDDSJWRTSN-DZRFEFHFSA-N 1 1 463.537 4.010 50 0 biogenic JIAAMO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]1 ZINC000033326846 569623900 /nfs/dbraw/zinc/62/39/00/569623900.db2.gz SZUADAWAYTYVGK-UHFFFAOYSA-N 1 1 451.474 4.414 50 0 JIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)C1 ZINC000033332057 569624674 /nfs/dbraw/zinc/62/46/74/569624674.db2.gz ZSNXMBVXUDOFES-GOSISDBHSA-N 1 1 487.442 4.035 50 0 JIAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801977 569631696 /nfs/dbraw/zinc/63/16/96/569631696.db2.gz YQOPLUBVCKSVLG-UHFFFAOYSA-N 1 1 493.511 4.185 50 0 JIAAMO COc1cccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)c1 ZINC000034681913 569643542 /nfs/dbraw/zinc/64/35/42/569643542.db2.gz DMCSDPNIXSAJBS-UHFFFAOYSA-N 1 1 452.505 4.333 50 0 JIAAMO COc1cccc(C[N@H+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)C[C@H]2C)c1 ZINC000034707998 569650036 /nfs/dbraw/zinc/65/00/36/569650036.db2.gz CQLLLYDRKTWAQQ-GOSISDBHSA-N 1 1 454.534 4.257 50 0 JIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830024 569663547 /nfs/dbraw/zinc/66/35/47/569663547.db2.gz WWNBCEXOEYNAKC-MUUNZHRXSA-N 1 1 491.632 4.138 50 0 JIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccco1 ZINC000034830094 569663646 /nfs/dbraw/zinc/66/36/46/569663646.db2.gz NUYDYOAYFJRNKZ-CLOONOSVSA-N 1 1 463.603 4.052 50 0 JIAAMO COc1cccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928028 569673336 /nfs/dbraw/zinc/67/33/36/569673336.db2.gz FQVPMCRTEFWZQU-WDYNHAJCSA-N 1 1 495.623 4.483 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000095100959 569721740 /nfs/dbraw/zinc/72/17/40/569721740.db2.gz IHMYPKRKEWWHOR-DEOSSOPVSA-N 1 1 467.997 4.466 50 0 JIAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000095100959 569721742 /nfs/dbraw/zinc/72/17/42/569721742.db2.gz IHMYPKRKEWWHOR-DEOSSOPVSA-N 1 1 467.997 4.466 50 0 JIAAMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036250260 569758104 /nfs/dbraw/zinc/75/81/04/569758104.db2.gz QLDRMUYVKHWLRN-XMSQKQJNSA-N 1 1 476.459 4.167 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)CC1 ZINC000036312252 569760164 /nfs/dbraw/zinc/76/01/64/569760164.db2.gz ZRBAQKNGFWVIQM-HSZRJFAPSA-N 1 1 496.558 4.193 50 0 JIAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036342537 569765993 /nfs/dbraw/zinc/76/59/93/569765993.db2.gz USZMKRFCDRQOHX-XMMPIXPASA-N 1 1 467.997 4.473 50 0 JIAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccc(C)cc2)C1 ZINC000036343641 569766534 /nfs/dbraw/zinc/76/65/34/569766534.db2.gz HOGVCNXQJALANI-NDEPHWFRSA-N 1 1 482.628 4.499 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@H](c3ccccc3OC)C2)cc1OC ZINC000036345303 569767867 /nfs/dbraw/zinc/76/78/67/569767867.db2.gz PSYVTTRWVBQWEP-GCJKJVERSA-N 1 1 451.567 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345767 569768264 /nfs/dbraw/zinc/76/82/64/569768264.db2.gz SYASLWNCQCWJFD-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345767 569768265 /nfs/dbraw/zinc/76/82/65/569768265.db2.gz SYASLWNCQCWJFD-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346691 569770537 /nfs/dbraw/zinc/77/05/37/569770537.db2.gz TYGMKBYUHSRRLF-JOCHJYFZSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346691 569770538 /nfs/dbraw/zinc/77/05/38/569770538.db2.gz TYGMKBYUHSRRLF-JOCHJYFZSA-N 1 1 475.536 4.097 50 0 JIAAMO CN([NH2+]c1cc(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]1)c1ncc(C(F)(F)F)cc1Cl ZINC000100920988 569775907 /nfs/dbraw/zinc/77/59/07/569775907.db2.gz ITQOMYPZSGGBIX-UHFFFAOYSA-N 1 1 479.768 4.487 50 0 JIAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)NCc1ccccc1 ZINC000037384195 569785479 /nfs/dbraw/zinc/78/54/79/569785479.db2.gz LJTDQWBKSMGPIP-UHFFFAOYSA-N 1 1 499.615 4.125 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(C)n3-c3cccc(Cl)c3)cc2)CC1 ZINC000037398241 569787135 /nfs/dbraw/zinc/78/71/35/569787135.db2.gz HGADXPRQANSSPG-UHFFFAOYSA-N 1 1 456.015 4.299 50 0 JIAAMO O=C(CCCCN1CCN(C(=O)c2ccccc2)CC1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000039929886 569812331 /nfs/dbraw/zinc/81/23/31/569812331.db2.gz OEGVMVCGKMSDHI-UHFFFAOYSA-N 1 1 460.622 4.016 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3ccccc3Cl)C[C@H](O)COCC(C)C)C2)cc1 ZINC000104982466 569847791 /nfs/dbraw/zinc/84/77/91/569847791.db2.gz PNNNBHLZMCUODT-JTHBVZDNSA-N 1 1 461.002 4.377 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3ccccc3Cl)C[C@H](O)COCC(C)C)C2)cc1 ZINC000104982466 569847793 /nfs/dbraw/zinc/84/77/93/569847793.db2.gz PNNNBHLZMCUODT-JTHBVZDNSA-N 1 1 461.002 4.377 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983747 569848315 /nfs/dbraw/zinc/84/83/15/569848315.db2.gz KNSXJQQFPXPRDE-UKILVPOCSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983747 569848316 /nfs/dbraw/zinc/84/83/16/569848316.db2.gz KNSXJQQFPXPRDE-UKILVPOCSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985339 569848659 /nfs/dbraw/zinc/84/86/59/569848659.db2.gz LLCHXWAXCCFIAI-UKILVPOCSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985339 569848660 /nfs/dbraw/zinc/84/86/60/569848660.db2.gz LLCHXWAXCCFIAI-UKILVPOCSA-N 1 1 452.501 4.400 50 0 JIAAMO COc1ccc(Oc2c(C[N@H+](C[C@H](C)O)C[C@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000105002073 569848989 /nfs/dbraw/zinc/84/89/89/569848989.db2.gz GWIQHDFUMKBTKI-YADARESESA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](C)O)C[C@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000105002073 569848990 /nfs/dbraw/zinc/84/89/90/569848990.db2.gz GWIQHDFUMKBTKI-YADARESESA-N 1 1 451.567 4.343 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105012103 569851213 /nfs/dbraw/zinc/85/12/13/569851213.db2.gz QXFAKHFMUYPBCO-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105012103 569851215 /nfs/dbraw/zinc/85/12/15/569851215.db2.gz QXFAKHFMUYPBCO-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012291 569851264 /nfs/dbraw/zinc/85/12/64/569851264.db2.gz RKSYOYGPBUFWBS-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012291 569851265 /nfs/dbraw/zinc/85/12/65/569851265.db2.gz RKSYOYGPBUFWBS-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO O=C(Nc1ccc(F)cc1Br)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000051317153 569851354 /nfs/dbraw/zinc/85/13/54/569851354.db2.gz GKWSHYOIMVJDIF-UHFFFAOYSA-N 1 1 459.319 4.489 50 0 JIAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CN1CCOCC1 ZINC000169679009 569869389 /nfs/dbraw/zinc/86/93/89/569869389.db2.gz TUKSJYNWNQFHFY-URXFXBBRSA-N 1 1 496.627 4.406 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CN1CCOCC1 ZINC000169679007 569869451 /nfs/dbraw/zinc/86/94/51/569869451.db2.gz TUKSJYNWNQFHFY-QPPBQGQZSA-N 1 1 496.627 4.406 50 0 JIAAMO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169681765 569870816 /nfs/dbraw/zinc/87/08/16/569870816.db2.gz UIZAPOUNWAUTMS-IAPPQJPRSA-N 1 1 473.592 4.056 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000230138129 570045826 /nfs/dbraw/zinc/04/58/26/570045826.db2.gz UBYONQYODIYKGW-AHWVRZQESA-N 1 1 479.621 4.118 50 0 JIAAMO COc1ccc(/C=C\C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)c2)cc1 ZINC000230213927 570046256 /nfs/dbraw/zinc/04/62/56/570046256.db2.gz GFLMDYKICCVBPZ-CNGNEYMMSA-N 1 1 475.570 4.218 50 0 JIAAMO COc1ccc(/C=C\C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)c2)cc1 ZINC000230213927 570046257 /nfs/dbraw/zinc/04/62/57/570046257.db2.gz GFLMDYKICCVBPZ-CNGNEYMMSA-N 1 1 475.570 4.218 50 0 JIAAMO O=C(c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245241192 570058386 /nfs/dbraw/zinc/05/83/86/570058386.db2.gz YSDCQNVXTAGNPT-HRCADAONSA-N 1 1 498.347 4.226 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246403 570059251 /nfs/dbraw/zinc/05/92/51/570059251.db2.gz KPDRMPVLXMQCKG-AEFRCRGFSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246403 570059253 /nfs/dbraw/zinc/05/92/53/570059253.db2.gz KPDRMPVLXMQCKG-AEFRCRGFSA-N 1 1 490.774 4.386 50 0 JIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245279543 570061586 /nfs/dbraw/zinc/06/15/86/570061586.db2.gz HPYAHOGTWZSMTQ-ISKFKSNPSA-N 1 1 469.557 4.100 50 0 JIAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245279543 570061587 /nfs/dbraw/zinc/06/15/87/570061587.db2.gz HPYAHOGTWZSMTQ-ISKFKSNPSA-N 1 1 469.557 4.100 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000245280389 570061904 /nfs/dbraw/zinc/06/19/04/570061904.db2.gz OTYXDKPKHYRVPC-WIOPSUGQSA-N 1 1 495.620 4.266 50 0 JIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000245312917 570063944 /nfs/dbraw/zinc/06/39/44/570063944.db2.gz YTHDCUCOECLFQM-HDYLNDSGSA-N 1 1 454.567 4.019 50 0 JIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000245312917 570063945 /nfs/dbraw/zinc/06/39/45/570063945.db2.gz YTHDCUCOECLFQM-HDYLNDSGSA-N 1 1 454.567 4.019 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000245328720 570066015 /nfs/dbraw/zinc/06/60/15/570066015.db2.gz OVAKCEBGXRURCR-BWKNWUBXSA-N 1 1 489.104 4.037 50 0 JIAAMO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000245343358 570067221 /nfs/dbraw/zinc/06/72/21/570067221.db2.gz MTMURUGASJLJGV-WOJBJXKFSA-N 1 1 468.642 4.046 50 0 JIAAMO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000248093092 570073930 /nfs/dbraw/zinc/07/39/30/570073930.db2.gz WLCJGSLJAITWHK-QHCPKHFHSA-N 1 1 459.638 4.087 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000248171842 570075944 /nfs/dbraw/zinc/07/59/44/570075944.db2.gz WRNVVAHGDIDAJU-JIPXPUAJSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000248171842 570075945 /nfs/dbraw/zinc/07/59/45/570075945.db2.gz WRNVVAHGDIDAJU-JIPXPUAJSA-N 1 1 473.642 4.377 50 0 JIAAMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@H]4C[N@@H+]4C[C@H](C)CC[C@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000253388621 570095504 /nfs/dbraw/zinc/09/55/04/570095504.db2.gz LCJGVSFMDQXVDC-HYDPVBSBSA-N 1 1 471.682 4.457 50 0 JIAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[N@H+]1CCCC[C@H]1C ZINC000001445828 194122594 /nfs/dbraw/zinc/12/25/94/194122594.db2.gz FDTBBRMHFHHBMK-CYBMUJFWSA-N 1 1 451.361 4.417 50 0 JIAAMO O=C(C[N@H+](CCc1cccs1)Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012759843 195110163 /nfs/dbraw/zinc/11/01/63/195110163.db2.gz QQSWJQXVAQAUNO-UHFFFAOYSA-N 1 1 489.688 4.278 50 0 JIAAMO O=C(C[N@@H+](CCc1cccs1)Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012759843 195110166 /nfs/dbraw/zinc/11/01/66/195110166.db2.gz QQSWJQXVAQAUNO-UHFFFAOYSA-N 1 1 489.688 4.278 50 0 JIAAMO COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+](C)C ZINC000012778962 195123050 /nfs/dbraw/zinc/12/30/50/195123050.db2.gz JVVCSDLNSPVHOY-PZJWPPBQSA-N 1 1 466.409 4.176 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 ZINC000012790110 195131231 /nfs/dbraw/zinc/13/12/31/195131231.db2.gz GWJPUYYUEZAMLJ-NRFANRHFSA-N 1 1 475.973 4.313 50 0 JIAAMO O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012807713 195142587 /nfs/dbraw/zinc/14/25/87/195142587.db2.gz CYDOAPLJAYOIMG-UHFFFAOYSA-N 1 1 494.665 4.005 50 0 JIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000012819504 195148722 /nfs/dbraw/zinc/14/87/22/195148722.db2.gz WGBOXIUEVIXKTB-OAQYLSRUSA-N 1 1 480.030 4.155 50 0 JIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000012819504 195148725 /nfs/dbraw/zinc/14/87/25/195148725.db2.gz WGBOXIUEVIXKTB-OAQYLSRUSA-N 1 1 480.030 4.155 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1 ZINC000020939446 195254639 /nfs/dbraw/zinc/25/46/39/195254639.db2.gz CQTLAUQZMGHYMN-FQEVSTJZSA-N 1 1 453.612 4.057 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)C1 ZINC000021166681 195288855 /nfs/dbraw/zinc/28/88/55/195288855.db2.gz HHEKFEMUMSSHGT-GASCZTMLSA-N 1 1 467.056 4.454 50 0 JIAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527896 195306176 /nfs/dbraw/zinc/30/61/76/195306176.db2.gz KBVNJAZTLQORHQ-VWLOTQADSA-N 1 1 493.611 4.338 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)C1CCCCC1 ZINC000021527875 195306209 /nfs/dbraw/zinc/30/62/09/195306209.db2.gz SDBIPMMCJSYEDW-UHFFFAOYSA-N 1 1 471.605 4.082 50 0 JIAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000058161317 195369261 /nfs/dbraw/zinc/36/92/61/195369261.db2.gz ZVUNTRIYPHEHJN-UHFFFAOYSA-N 1 1 451.592 4.035 50 0 JIAAMO C/C(=C\c1ccccc1)CNc1cc(C(=O)N2CCC[N@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014745803 518447567 /nfs/dbraw/zinc/44/75/67/518447567.db2.gz FSEJTQIJTQEGBO-LTGZKZEYSA-N 1 1 498.693 4.057 50 0 JIAAMO CC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@@H]3CCOC3)C2)CC1 ZINC000014880304 519510868 /nfs/dbraw/zinc/51/08/68/519510868.db2.gz GGBCNZCFFYDNGR-JOCHJYFZSA-N 1 1 493.629 4.336 50 0 JIAAMO CC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@@H]3CCOC3)C2)CC1 ZINC000014880304 519510881 /nfs/dbraw/zinc/51/08/81/519510881.db2.gz GGBCNZCFFYDNGR-JOCHJYFZSA-N 1 1 493.629 4.336 50 0 JIAAMO CC(C)c1cc(C(=O)N2CCc3c(cc(-c4cccc(F)c4)c(=O)n3CC[NH+]3CCCCC3)C2)n[nH]1 ZINC000014741832 519831904 /nfs/dbraw/zinc/83/19/04/519831904.db2.gz HCMANCQWTIMETA-UHFFFAOYSA-N 1 1 491.611 4.185 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000036305610 520090850 /nfs/dbraw/zinc/09/08/50/520090850.db2.gz OTYXDKPKHYRVPC-DHLKQENFSA-N 1 1 495.620 4.266 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303666 520150975 /nfs/dbraw/zinc/15/09/75/520150975.db2.gz HRCYCVVENCRPRX-JOCHJYFZSA-N 1 1 474.001 4.472 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303666 520150981 /nfs/dbraw/zinc/15/09/81/520150981.db2.gz HRCYCVVENCRPRX-JOCHJYFZSA-N 1 1 474.001 4.472 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304054 520151588 /nfs/dbraw/zinc/15/15/88/520151588.db2.gz FQFNWDHCWSFVOB-OAQYLSRUSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304054 520151592 /nfs/dbraw/zinc/15/15/92/520151592.db2.gz FQFNWDHCWSFVOB-OAQYLSRUSA-N 1 1 475.536 4.097 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cc(OC)cc(OC)c2)CCO3)C1 ZINC000014972190 520540201 /nfs/dbraw/zinc/54/02/01/520540201.db2.gz PVMLHYFYFRESRY-DEOSSOPVSA-N 1 1 495.664 4.179 50 0 JIAAMO CCN(CC)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000036065170 520876380 /nfs/dbraw/zinc/87/63/80/520876380.db2.gz JOWVUZHKDLBRFA-UHFFFAOYSA-N 1 1 455.672 4.300 50 0 JIAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305727 521180878 /nfs/dbraw/zinc/18/08/78/521180878.db2.gz FEZNWADZKRILQJ-NRFANRHFSA-N 1 1 453.583 4.497 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@@H](O)COC(C)C ZINC000036309282 521534550 /nfs/dbraw/zinc/53/45/50/521534550.db2.gz KQUFLCPGNJAUER-OFNKIYASSA-N 1 1 495.085 4.404 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(Cl)c(C)c4)cnn(C)c3=O)cc2)CC1 ZINC000036073255 521669647 /nfs/dbraw/zinc/66/96/47/521669647.db2.gz WFFIYEQGPIVPMG-UHFFFAOYSA-N 1 1 481.984 4.056 50 0 JIAAMO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)CC1 ZINC000017365827 521698086 /nfs/dbraw/zinc/69/80/86/521698086.db2.gz IHPMJQAXPZTCNF-UHFFFAOYSA-N 1 1 486.403 4.242 50 0 JIAAMO COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022714080 522016153 /nfs/dbraw/zinc/01/61/53/522016153.db2.gz XDZDDAJMYAMGHK-UHFFFAOYSA-N 1 1 494.595 4.097 50 0 JIAAMO COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036305673 522400789 /nfs/dbraw/zinc/40/07/89/522400789.db2.gz WBHUOQROUIGXBT-NRFANRHFSA-N 1 1 451.567 4.107 50 0 JIAAMO C[N@@H+](CCNC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)Cc1ccccc1 ZINC000065005899 522842295 /nfs/dbraw/zinc/84/22/95/522842295.db2.gz OECNSVAKKPXABI-UHFFFAOYSA-N 1 1 474.605 4.196 50 0 JIAAMO COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014746009 523354309 /nfs/dbraw/zinc/35/43/09/523354309.db2.gz NEEQCHMNWLWDJU-VQTJNVASSA-N 1 1 480.527 4.081 50 0 JIAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4cc(-c5ccccc5)no4)CC3)cc2)cn1 ZINC000014889083 523515244 /nfs/dbraw/zinc/51/52/44/523515244.db2.gz OQXXPXFKODQRMH-UHFFFAOYSA-N 1 1 485.588 4.391 50 0 JIAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@@H+](C)Cc1nc(-c3ccccc3)cs1)C2 ZINC000014745412 523612070 /nfs/dbraw/zinc/61/20/70/523612070.db2.gz RKZXOMPDAVJABS-LJQANCHMSA-N 1 1 481.691 4.205 50 0 JIAAMO CCc1cc(N2CCCC[C@@H]2C)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036028358 523792544 /nfs/dbraw/zinc/79/25/44/523792544.db2.gz KEDDPXYCKRYBSX-IBGZPJMESA-N 1 1 453.656 4.098 50 0 JIAAMO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)s1 ZINC000033078378 523849871 /nfs/dbraw/zinc/84/98/71/523849871.db2.gz RBTFTSAHYULLGW-NRFANRHFSA-N 1 1 463.651 4.035 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027993 524104008 /nfs/dbraw/zinc/10/40/08/524104008.db2.gz ZZYRKPSABBVZTO-LJQANCHMSA-N 1 1 493.633 4.364 50 0 JIAAMO C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CC[N@@H+](C)C1CCCCC1 ZINC000021811427 524171066 /nfs/dbraw/zinc/17/10/66/524171066.db2.gz RMRXTYKQFSVLDO-YOPMBXEFSA-N 1 1 468.642 4.408 50 0 JIAAMO Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035485292 524433815 /nfs/dbraw/zinc/43/38/15/524433815.db2.gz OYSKVILZFAAMME-SVBPBHIXSA-N 1 1 466.585 4.165 50 0 biogenic JIAAMO Cc1cc(C)n2nc(C(=O)NC[C@@H](C)Oc3cccc(C[N@@H+](C)Cc4cccs4)c3)cc2n1 ZINC000014976073 524565414 /nfs/dbraw/zinc/56/54/14/524565414.db2.gz MLGRYYXPQZOVPR-LJQANCHMSA-N 1 1 463.607 4.237 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)c1 ZINC000036309509 524757935 /nfs/dbraw/zinc/75/79/35/524757935.db2.gz SHFWKKWZFIASQA-WIOPSUGQSA-N 1 1 486.678 4.059 50 0 JIAAMO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([N@@H+](CCO)Cc2ccccc2)C4)cc1 ZINC000020138018 524775225 /nfs/dbraw/zinc/77/52/25/524775225.db2.gz WIYFNPMMGVANAA-QFIPXVFZSA-N 1 1 459.615 4.167 50 0 JIAAMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000021779033 524811989 /nfs/dbraw/zinc/81/19/89/524811989.db2.gz MSEKRRGSOOMIHN-MHZLTWQESA-N 1 1 485.584 4.131 50 0 JIAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036310868 525135300 /nfs/dbraw/zinc/13/53/00/525135300.db2.gz FNUQZXXMPCADLF-AREMUKBSSA-N 1 1 460.622 4.288 50 0 JIAAMO Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc2C1=O ZINC000043809568 525220504 /nfs/dbraw/zinc/22/05/04/525220504.db2.gz XBYIOWZSURIWMD-UHFFFAOYSA-N 1 1 453.542 4.144 50 0 JIAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020464778 525609057 /nfs/dbraw/zinc/60/90/57/525609057.db2.gz XMQTXAAXVRTODI-UHFFFAOYSA-N 1 1 454.567 4.252 50 0 biogenic JIAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000033139745 525827298 /nfs/dbraw/zinc/82/72/98/525827298.db2.gz KUWBDJTYHIITNC-UHFFFAOYSA-N 1 1 498.587 4.028 50 0 JIAAMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000022800468 525954868 /nfs/dbraw/zinc/95/48/68/525954868.db2.gz YIXTXYBZXNVNDF-QFIPXVFZSA-N 1 1 460.603 4.123 50 0 JIAAMO CSc1nc(C(=O)NCc2nc(-c3cccc(NC(=O)[C@@H]4CCC[N@@H+](C)C4)c3)oc2C)cs1 ZINC000012245233 526210629 /nfs/dbraw/zinc/21/06/29/526210629.db2.gz XULXHPWACZFWBL-MRXNPFEDSA-N 1 1 485.635 4.039 50 0 JIAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(C)c3)n2n1 ZINC000008609664 526246619 /nfs/dbraw/zinc/24/66/19/526246619.db2.gz ADQMOZRGESHEKG-UHFFFAOYSA-N 1 1 457.563 4.064 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000033114333 526250304 /nfs/dbraw/zinc/25/03/04/526250304.db2.gz XAHUKHZIZCCUBX-KRWDZBQOSA-N 1 1 497.596 4.113 50 0 JIAAMO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000014991385 526813655 /nfs/dbraw/zinc/81/36/55/526813655.db2.gz YVXILCKYBCLCLJ-HXUWFJFHSA-N 1 1 469.589 4.361 50 0 JIAAMO O=c1nc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000022810677 527438475 /nfs/dbraw/zinc/43/84/75/527438475.db2.gz GTMQQKKFHFBMJB-NRFANRHFSA-N 1 1 481.021 4.468 50 0 JIAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002309355 554143222 /nfs/dbraw/zinc/14/32/22/554143222.db2.gz GOGSUHRXIFKMSW-ZDUSSCGKSA-N 1 1 456.340 4.102 50 0 JIAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002309355 554143224 /nfs/dbraw/zinc/14/32/24/554143224.db2.gz GOGSUHRXIFKMSW-ZDUSSCGKSA-N 1 1 456.340 4.102 50 0 JIAAMO CC[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000009115725 554902799 /nfs/dbraw/zinc/90/27/99/554902799.db2.gz YUMMOVIYYCPVGZ-JGCGQSQUSA-N 1 1 454.592 4.238 50 0 JIAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c2cc(C)ccc2O1 ZINC000009406086 555165783 /nfs/dbraw/zinc/16/57/83/555165783.db2.gz ZPZCEKDZUUAFNY-VWLOTQADSA-N 1 1 492.664 4.443 50 0 JIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000009638699 555347697 /nfs/dbraw/zinc/34/76/97/555347697.db2.gz MCXXMABDGUEYBL-HXUWFJFHSA-N 1 1 480.030 4.065 50 0 JIAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000009578303 555378952 /nfs/dbraw/zinc/37/89/52/555378952.db2.gz QBIZGNQHRUZORY-UHFFFAOYSA-N 1 1 465.351 4.260 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000020108837 555644009 /nfs/dbraw/zinc/64/40/09/555644009.db2.gz KVAOPTHHEFJMMN-ITCWORFJSA-N 1 1 495.639 4.237 50 0 JIAAMO CCN1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)ccc3n2)CC1 ZINC000020153599 555672957 /nfs/dbraw/zinc/67/29/57/555672957.db2.gz RBNBQBBJMDLBSS-SFTDATJTSA-N 1 1 482.742 4.340 50 0 JIAAMO CCN1CCN(c2cc(C)c3cc(NC(=S)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)ccc3n2)CC1 ZINC000020153595 555673049 /nfs/dbraw/zinc/67/30/49/555673049.db2.gz RBNBQBBJMDLBSS-OYRHEFFESA-N 1 1 482.742 4.340 50 0 JIAAMO CCN1CCN(c2cc(C)c3cc(NC(=S)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)ccc3n2)CC1 ZINC000020153595 555673053 /nfs/dbraw/zinc/67/30/53/555673053.db2.gz RBNBQBBJMDLBSS-OYRHEFFESA-N 1 1 482.742 4.340 50 0 JIAAMO CCc1cc([C@H](c2cccc(OC)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218763 555712341 /nfs/dbraw/zinc/71/23/41/555712341.db2.gz OLGKVPDVZOHNQP-VWLOTQADSA-N 1 1 479.646 4.271 50 0 JIAAMO COc1ccc(CNC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC ZINC000014196757 555729305 /nfs/dbraw/zinc/72/93/05/555729305.db2.gz SFXLPTPKGSIWFU-UHFFFAOYSA-N 1 1 459.999 4.463 50 0 JIAAMO Clc1ccc(-c2noc3ncnc(N(CCC[NH+]4CCOCC4)Cc4ccco4)c32)cc1 ZINC000020330078 555775517 /nfs/dbraw/zinc/77/55/17/555775517.db2.gz LIXOHHFECZGNOR-UHFFFAOYSA-N 1 1 453.930 4.260 50 0 JIAAMO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014542482 555833284 /nfs/dbraw/zinc/83/32/84/555833284.db2.gz HFXQICWWEULJBA-RBUKOAKNSA-N 1 1 450.558 4.156 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(OC)c(F)c2)CCO3)C1 ZINC000011869232 555845591 /nfs/dbraw/zinc/84/55/91/555845591.db2.gz HNGBILXUVZIONN-HSZRJFAPSA-N 1 1 483.628 4.309 50 0 JIAAMO C[C@]1(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011908906 555855665 /nfs/dbraw/zinc/85/56/65/555855665.db2.gz DRUCGJYLGYRFGU-RUZDIDTESA-N 1 1 455.961 4.169 50 0 JIAAMO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)c1 ZINC000021795364 555856340 /nfs/dbraw/zinc/85/63/40/555856340.db2.gz IWEKXKRRWKXRHM-UHFFFAOYSA-N 1 1 462.554 4.208 50 0 JIAAMO O=C(c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012016307 555884576 /nfs/dbraw/zinc/88/45/76/555884576.db2.gz MEQFYPYZXXZKBM-UHFFFAOYSA-N 1 1 450.542 4.062 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1 ZINC000012037801 555891007 /nfs/dbraw/zinc/89/10/07/555891007.db2.gz HOCROXDBMSALBJ-RUZDIDTESA-N 1 1 475.637 4.479 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(-c5ccno5)cc4)C3)n2)cc1OC ZINC000015726289 555964289 /nfs/dbraw/zinc/96/42/89/555964289.db2.gz YUMUXGZWELMLOO-LJQANCHMSA-N 1 1 489.532 4.260 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(-c5ccno5)cc4)C3)n2)cc1OC ZINC000015726289 555964291 /nfs/dbraw/zinc/96/42/91/555964291.db2.gz YUMUXGZWELMLOO-LJQANCHMSA-N 1 1 489.532 4.260 50 0 JIAAMO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726333 555964318 /nfs/dbraw/zinc/96/43/18/555964318.db2.gz KYJDZRWOAJKBNA-UHFFFAOYSA-N 1 1 466.538 4.003 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(-c5ccno5)cc4)C3)n2)cc1OC ZINC000015726291 555964541 /nfs/dbraw/zinc/96/45/41/555964541.db2.gz YUMUXGZWELMLOO-IBGZPJMESA-N 1 1 489.532 4.260 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(-c5ccno5)cc4)C3)n2)cc1OC ZINC000015726291 555964546 /nfs/dbraw/zinc/96/45/46/555964546.db2.gz YUMUXGZWELMLOO-IBGZPJMESA-N 1 1 489.532 4.260 50 0 JIAAMO Cc1sc2nc(-c3cccc(NC(=O)CN4CC[NH+](Cc5ccccc5)CC4)c3)[nH]c(=O)c2c1C ZINC000022917701 555971385 /nfs/dbraw/zinc/97/13/85/555971385.db2.gz PHYHPAAEIFJELZ-UHFFFAOYSA-N 1 1 487.629 4.025 50 0 JIAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)N(c3ccccc3)C3CCCCC3)CC2)cc1 ZINC000022931678 555984889 /nfs/dbraw/zinc/98/48/89/555984889.db2.gz VXCRGCHGZJUNPP-UHFFFAOYSA-N 1 1 451.611 4.058 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)C3=Cc4cc(Br)ccc4OC3)cc2)CC1 ZINC000022938038 555991042 /nfs/dbraw/zinc/99/10/42/555991042.db2.gz VXDYGIKZDFZPNM-UHFFFAOYSA-N 1 1 456.384 4.001 50 0 JIAAMO O=C([C@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023142802 556022242 /nfs/dbraw/zinc/02/22/42/556022242.db2.gz LAFAVXFNINKKDP-DEOSSOPVSA-N 1 1 490.051 4.400 50 0 JIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)CC2)cc1 ZINC000023245825 556033642 /nfs/dbraw/zinc/03/36/42/556033642.db2.gz DSVGSNSXAYAPKZ-MHZLTWQESA-N 1 1 470.569 4.498 50 0 JIAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCC[N@@H+](C)C4CCCCC4)CC3)[nH]c2c1 ZINC000015868691 556046065 /nfs/dbraw/zinc/04/60/65/556046065.db2.gz DAMDCPXJGRDJJE-IBGZPJMESA-N 1 1 468.642 4.046 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000012591764 556087577 /nfs/dbraw/zinc/08/75/77/556087577.db2.gz FBEBUSUVRUEQDQ-AZGAKELHSA-N 1 1 475.614 4.268 50 0 JIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000015969179 556095339 /nfs/dbraw/zinc/09/53/39/556095339.db2.gz GFPWAQIHWBGSEM-FCLIQBFMSA-N 1 1 493.563 4.018 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016007657 556107942 /nfs/dbraw/zinc/10/79/42/556107942.db2.gz ZKZUDSGOXJNPSH-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023989352 556112711 /nfs/dbraw/zinc/11/27/11/556112711.db2.gz UAOLDOHQWYJLSP-QGZVFWFLSA-N 1 1 483.663 4.296 50 0 JIAAMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024097265 556121246 /nfs/dbraw/zinc/12/12/46/556121246.db2.gz PTMQFXUBFWLJMA-UHFFFAOYSA-N 1 1 472.010 4.446 50 0 JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000016043010 556122508 /nfs/dbraw/zinc/12/25/08/556122508.db2.gz UCEGJTAQUBKYER-OCDQVXHZSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000016043010 556122512 /nfs/dbraw/zinc/12/25/12/556122512.db2.gz UCEGJTAQUBKYER-OCDQVXHZSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000024977084 556167130 /nfs/dbraw/zinc/16/71/30/556167130.db2.gz SRUVAARHALQAJY-HSZRJFAPSA-N 1 1 476.042 4.463 50 0 JIAAMO C[C@H]([NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000024985082 556169620 /nfs/dbraw/zinc/16/96/20/556169620.db2.gz URPVCNAFVIIMRI-JTSKRJEESA-N 1 1 491.569 4.458 50 0 JIAAMO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000016993719 556197876 /nfs/dbraw/zinc/19/78/76/556197876.db2.gz CKTXUOGJMNBULE-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(Br)c4)CC3)n2)cc1 ZINC000017012439 556202457 /nfs/dbraw/zinc/20/24/57/556202457.db2.gz DLDPECOLKRJVNS-UHFFFAOYSA-N 1 1 482.382 4.262 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cccc(I)c3)CC2)[nH+]1 ZINC000017012495 556202467 /nfs/dbraw/zinc/20/24/67/556202467.db2.gz HKJSDRGAYMNLQX-UHFFFAOYSA-N 1 1 499.356 4.096 50 0 JIAAMO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(Nc3ccccc3)cc(C)[nH+]2)CC1 ZINC000017012664 556202837 /nfs/dbraw/zinc/20/28/37/556202837.db2.gz GPJNFVLPTRFEJC-UHFFFAOYSA-N 1 1 495.649 4.346 50 0 JIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000017012868 556203055 /nfs/dbraw/zinc/20/30/55/556203055.db2.gz UKHJORXWKKLRND-UHFFFAOYSA-N 1 1 489.601 4.201 50 0 JIAAMO Cc1nc2ccc(S(=O)(=O)N3CCN(c4nc(Nc5ccc(C)cc5)cc(C)[nH+]4)CC3)cc2s1 ZINC000017042709 556209395 /nfs/dbraw/zinc/20/93/95/556209395.db2.gz CZBPEFPCMQBGSM-UHFFFAOYSA-N 1 1 494.646 4.266 50 0 JIAAMO CC[NH+]1CCN(C(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc32)CC1 ZINC000025357935 556210451 /nfs/dbraw/zinc/21/04/51/556210451.db2.gz KVLLSMXEXAOOHC-UHFFFAOYSA-N 1 1 453.970 4.007 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(I)c1 ZINC000013022713 556212491 /nfs/dbraw/zinc/21/24/91/556212491.db2.gz IYPNJOZAEQBWMQ-GOSISDBHSA-N 1 1 478.330 4.228 50 0 JIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(I)c1 ZINC000013022713 556212494 /nfs/dbraw/zinc/21/24/94/556212494.db2.gz IYPNJOZAEQBWMQ-GOSISDBHSA-N 1 1 478.330 4.228 50 0 JIAAMO COc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025480558 556217992 /nfs/dbraw/zinc/21/79/92/556217992.db2.gz XXBYDHMMYPBHLF-IXCJQBJRSA-N 1 1 455.558 4.284 50 0 JIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(C(C)C)ccc4C)CC3)n2)cc1 ZINC000017121364 556219468 /nfs/dbraw/zinc/21/94/68/556219468.db2.gz OCIAVQINFDRVBK-UHFFFAOYSA-N 1 1 495.649 4.480 50 0 JIAAMO CCc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)[NH+](C)C)cc1 ZINC000018017134 556276913 /nfs/dbraw/zinc/27/69/13/556276913.db2.gz WEBRAEPSXNKFBQ-XMMPIXPASA-N 1 1 481.618 4.091 50 0 JIAAMO COc1ccc(CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)c(OC)c1 ZINC000018220127 556312789 /nfs/dbraw/zinc/31/27/89/556312789.db2.gz JVWZKQDQNGZTSC-JOCHJYFZSA-N 1 1 456.970 4.334 50 0 JIAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)CCc2scnc2C)Cc2ccccc2O1 ZINC000019739603 556363687 /nfs/dbraw/zinc/36/36/87/556363687.db2.gz QOIIHACOYAGAIS-QHCPKHFHSA-N 1 1 451.592 4.145 50 0 JIAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)CCc2scnc2C)Cc2ccccc2O1 ZINC000019739603 556363689 /nfs/dbraw/zinc/36/36/89/556363689.db2.gz QOIIHACOYAGAIS-QHCPKHFHSA-N 1 1 451.592 4.145 50 0 JIAAMO O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019802520 556378647 /nfs/dbraw/zinc/37/86/47/556378647.db2.gz AXXCOAIJYUZHFX-RUZDIDTESA-N 1 1 482.628 4.152 50 0 JIAAMO O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019802517 556378730 /nfs/dbraw/zinc/37/87/30/556378730.db2.gz AXXCOAIJYUZHFX-VWLOTQADSA-N 1 1 482.628 4.152 50 0 JIAAMO CCc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000019811707 556382513 /nfs/dbraw/zinc/38/25/13/556382513.db2.gz NRSKCMLDFNQKQR-UHFFFAOYSA-N 1 1 491.657 4.097 50 0 JIAAMO O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000031818088 556407780 /nfs/dbraw/zinc/40/77/80/556407780.db2.gz ZOWWSJBODALNSB-VWLOTQADSA-N 1 1 482.584 4.101 50 0 JIAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)CCOc1ccccc1F ZINC000032797426 556496595 /nfs/dbraw/zinc/49/65/95/556496595.db2.gz FZRZQQZZRFCWAP-INIZCTEOSA-N 1 1 469.479 4.019 50 0 JIAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)CCOc1ccccc1F ZINC000032797426 556496599 /nfs/dbraw/zinc/49/65/99/556496599.db2.gz FZRZQQZZRFCWAP-INIZCTEOSA-N 1 1 469.479 4.019 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611780 562947756 /nfs/dbraw/zinc/94/77/56/562947756.db2.gz SBEPQYBRFJHCEN-RUZDIDTESA-N 1 1 467.997 4.074 50 0 JIAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008687687 562953536 /nfs/dbraw/zinc/95/35/36/562953536.db2.gz PVQGKFFWSQEPOA-UHFFFAOYSA-N 1 1 481.637 4.214 50 0 JIAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000055245479 569591355 /nfs/dbraw/zinc/59/13/55/569591355.db2.gz JLHWBEQCWOQDPW-HHHXNRCGSA-N 1 1 451.611 4.160 50 0 JIAAMO CC(C)c1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)on1 ZINC000055384462 569591607 /nfs/dbraw/zinc/59/16/07/569591607.db2.gz BTKHHRSABYTGSK-IBGZPJMESA-N 1 1 450.505 4.244 50 0 JIAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000057015898 569593964 /nfs/dbraw/zinc/59/39/64/569593964.db2.gz QHSZYTHCFMSJLE-AVRWGWEMSA-N 1 1 479.602 4.167 50 0 JIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000057099731 569594400 /nfs/dbraw/zinc/59/44/00/569594400.db2.gz BTRYFGLKGPLYPZ-PJWZMHGESA-N 1 1 483.593 4.325 50 0 JIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000057099731 569594401 /nfs/dbraw/zinc/59/44/01/569594401.db2.gz BTRYFGLKGPLYPZ-PJWZMHGESA-N 1 1 483.593 4.325 50 0 JIAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cc(C)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000059485831 569605377 /nfs/dbraw/zinc/60/53/77/569605377.db2.gz UVQOSKVIBZJBKR-ZNXVIZGJSA-N 1 1 493.563 4.018 50 0 biogenic JIAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000061999393 569610046 /nfs/dbraw/zinc/61/00/46/569610046.db2.gz MERVUSSRRGAVCO-BAAZAXTHSA-N 1 1 477.564 4.264 50 0 biogenic JIAAMO Cc1cc(=O)c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(C2CC2)n1Cc1cccs1 ZINC000064074706 569616145 /nfs/dbraw/zinc/61/61/45/569616145.db2.gz DVZLONKJGLLUNP-DEOSSOPVSA-N 1 1 487.669 4.459 50 0 JIAAMO COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1C ZINC000064120716 569616439 /nfs/dbraw/zinc/61/64/39/569616439.db2.gz ONMFNJKQGCQNBW-HHHXNRCGSA-N 1 1 499.655 4.032 50 0 JIAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064802143 569631929 /nfs/dbraw/zinc/63/19/29/569631929.db2.gz DIGJJDYTNVHPFE-UHFFFAOYSA-N 1 1 481.578 4.091 50 0 JIAAMO CCn1c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835896 569636481 /nfs/dbraw/zinc/63/64/81/569636481.db2.gz JJKVGDJYVOEJIX-UHFFFAOYSA-N 1 1 475.980 4.288 50 0 JIAAMO CCn1c2c(C(=O)Nc3cccc(SC)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835938 569636542 /nfs/dbraw/zinc/63/65/42/569636542.db2.gz MMOUBRNYTVSLHM-UHFFFAOYSA-N 1 1 473.602 4.048 50 0 JIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000034258763 569639885 /nfs/dbraw/zinc/63/98/85/569639885.db2.gz ZDRCCBNQLIKVRB-KIHHCIJBSA-N 1 1 469.928 4.494 50 0 JIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000034258763 569639886 /nfs/dbraw/zinc/63/98/86/569639886.db2.gz ZDRCCBNQLIKVRB-KIHHCIJBSA-N 1 1 469.928 4.494 50 0 JIAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc1 ZINC000034667875 569640627 /nfs/dbraw/zinc/64/06/27/569640627.db2.gz AGNAHVSIFPUXIQ-UHFFFAOYSA-N 1 1 454.933 4.214 50 0 JIAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034683852 569644654 /nfs/dbraw/zinc/64/46/54/569644654.db2.gz UXGTYJCZLDZMOM-UHFFFAOYSA-N 1 1 474.579 4.476 50 0 JIAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2cc(C)ccc2F)CC3)c1 ZINC000034755572 569655818 /nfs/dbraw/zinc/65/58/18/569655818.db2.gz BGXCSYSGYBEUCM-UHFFFAOYSA-N 1 1 477.584 4.035 50 0 JIAAMO Nc1c(NC(=O)NCCC[NH+]2CCOCC2)c(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 ZINC000034785546 569659278 /nfs/dbraw/zinc/65/92/78/569659278.db2.gz MAHIRMVGXKOQIS-UHFFFAOYSA-N 1 1 489.407 4.272 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034787148 569659543 /nfs/dbraw/zinc/65/95/43/569659543.db2.gz WQYPTDDLIHFRFC-VWLOTQADSA-N 1 1 480.033 4.334 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034787148 569659544 /nfs/dbraw/zinc/65/95/44/569659544.db2.gz WQYPTDDLIHFRFC-VWLOTQADSA-N 1 1 480.033 4.334 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034787679 569659830 /nfs/dbraw/zinc/65/98/30/569659830.db2.gz TXCGBUMOEJNTEH-SANMLTNESA-N 1 1 465.663 4.255 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034787679 569659831 /nfs/dbraw/zinc/65/98/31/569659831.db2.gz TXCGBUMOEJNTEH-SANMLTNESA-N 1 1 465.663 4.255 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034787816 569659942 /nfs/dbraw/zinc/65/99/42/569659942.db2.gz JORLNSWMWGOSHU-NDEPHWFRSA-N 1 1 491.632 4.057 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034787816 569659943 /nfs/dbraw/zinc/65/99/43/569659943.db2.gz JORLNSWMWGOSHU-NDEPHWFRSA-N 1 1 491.632 4.057 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@H](C)C1 ZINC000034829793 569663457 /nfs/dbraw/zinc/66/34/57/569663457.db2.gz BFCATSRURMDIIV-ZBLYBZFDSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2)[C@H](C)C1 ZINC000034829793 569663459 /nfs/dbraw/zinc/66/34/59/569663459.db2.gz BFCATSRURMDIIV-ZBLYBZFDSA-N 1 1 473.642 4.377 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919586 569672111 /nfs/dbraw/zinc/67/21/11/569672111.db2.gz NDGPVDPZUZRJNO-HSZRJFAPSA-N 1 1 498.693 4.169 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035268870 569679120 /nfs/dbraw/zinc/67/91/20/569679120.db2.gz SCTFLBFPFHWYDX-OALUTQOASA-N 1 1 450.608 4.340 50 0 JIAAMO O=C(c1ccc(Cl)cc1)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035361876 569682318 /nfs/dbraw/zinc/68/23/18/569682318.db2.gz RUBZKBGHKJULEQ-YRLQWRJRSA-N 1 1 483.955 4.355 50 0 biogenic JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[nH]c(=O)c2C1 ZINC000067291413 569685438 /nfs/dbraw/zinc/68/54/38/569685438.db2.gz KBEXDPQABABYTD-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[nH]c(=O)c2C1 ZINC000067291413 569685439 /nfs/dbraw/zinc/68/54/39/569685439.db2.gz KBEXDPQABABYTD-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1)Cc1ccccc1 ZINC000035398145 569688857 /nfs/dbraw/zinc/68/88/57/569688857.db2.gz LLJUDLLLVLVYNH-VWLOTQADSA-N 1 1 457.622 4.307 50 0 JIAAMO CC[N@@H+](CCNC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)Cc1ccccc1 ZINC000035398625 569688977 /nfs/dbraw/zinc/68/89/77/569688977.db2.gz MFHNOKHIOZMRRX-UHFFFAOYSA-N 1 1 461.585 4.137 50 0 JIAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035404575 569691600 /nfs/dbraw/zinc/69/16/00/569691600.db2.gz IXHLLKUTHXXIGM-UHFFFAOYSA-N 1 1 479.987 4.103 50 0 JIAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035404575 569691601 /nfs/dbraw/zinc/69/16/01/569691601.db2.gz IXHLLKUTHXXIGM-UHFFFAOYSA-N 1 1 479.987 4.103 50 0 JIAAMO O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068739905 569691887 /nfs/dbraw/zinc/69/18/87/569691887.db2.gz QVWYRRHMUIOJGR-IBGZPJMESA-N 1 1 496.702 4.268 50 0 JIAAMO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](CCc2c(C)nc3n(c2=O)CCCC3)C1 ZINC000085393517 569710129 /nfs/dbraw/zinc/71/01/29/569710129.db2.gz CSFRQWKRGLYKFX-UHFFFAOYSA-N 1 1 481.644 4.390 50 0 JIAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)c2ccccc2)cc1 ZINC000035830078 569713138 /nfs/dbraw/zinc/71/31/38/569713138.db2.gz VTNJXFGOJXUSFF-QYOOZWMWSA-N 1 1 464.521 4.089 50 0 JIAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)c2ccccc2)cc1 ZINC000035830078 569713140 /nfs/dbraw/zinc/71/31/40/569713140.db2.gz VTNJXFGOJXUSFF-QYOOZWMWSA-N 1 1 464.521 4.089 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000085878804 569716330 /nfs/dbraw/zinc/71/63/30/569716330.db2.gz IFCCIXNUNRNEOZ-QTDJFWLRSA-N 1 1 479.665 4.099 50 0 biogenic JIAAMO Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c1nc[nH+]c2N ZINC000095550949 569727567 /nfs/dbraw/zinc/72/75/67/569727567.db2.gz SIXVRXARNAVBTC-UHFFFAOYSA-N 1 1 451.452 4.368 50 0 in-vitro JIAAMO Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c(C)c1 ZINC000035982166 569742846 /nfs/dbraw/zinc/74/28/46/569742846.db2.gz CFQJYANOZLREKD-KAYWLYCHSA-N 1 1 466.585 4.165 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043221 569754614 /nfs/dbraw/zinc/75/46/14/569754614.db2.gz AUPRXLSCIZFGGY-BXKMTCNYSA-N 1 1 455.599 4.298 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043221 569754615 /nfs/dbraw/zinc/75/46/15/569754615.db2.gz AUPRXLSCIZFGGY-BXKMTCNYSA-N 1 1 455.599 4.298 50 0 JIAAMO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250188 569758199 /nfs/dbraw/zinc/75/81/99/569758199.db2.gz LNLVNOGMUSUONS-PGRDOPGGSA-N 1 1 465.560 4.423 50 0 JIAAMO CC(C)CC[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H](O)COCC(C)C ZINC000036313423 569760841 /nfs/dbraw/zinc/76/08/41/569760841.db2.gz GTONIBXSVMBYOR-NRFANRHFSA-N 1 1 477.621 4.199 50 0 JIAAMO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)c1Cc1ccc(C)cc1 ZINC000036340631 569763976 /nfs/dbraw/zinc/76/39/76/569763976.db2.gz IJDNKWNNRXBTSG-VWLOTQADSA-N 1 1 474.649 4.117 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC000036341442 569764568 /nfs/dbraw/zinc/76/45/68/569764568.db2.gz JBSPZFIHDHJKEO-HSZRJFAPSA-N 1 1 451.567 4.122 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036346105 569768959 /nfs/dbraw/zinc/76/89/59/569768959.db2.gz QVFDFBGCPBRDHC-XMMPIXPASA-N 1 1 494.611 4.017 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036346444 569769889 /nfs/dbraw/zinc/76/98/89/569769889.db2.gz ZITXBIJBNSHSFU-VWLOTQADSA-N 1 1 494.611 4.017 50 0 JIAAMO CCOc1ccc(C[N@H+](CCOC)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032496 569843154 /nfs/dbraw/zinc/84/31/54/569843154.db2.gz PCGQFMUCONLXSO-UHFFFAOYSA-N 1 1 456.612 4.246 50 0 JIAAMO CCOc1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032496 569843155 /nfs/dbraw/zinc/84/31/55/569843155.db2.gz PCGQFMUCONLXSO-UHFFFAOYSA-N 1 1 456.612 4.246 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000105004927 569849983 /nfs/dbraw/zinc/84/99/83/569849983.db2.gz XSDFBYVWSWWGRS-ISKFKSNPSA-N 1 1 494.657 4.187 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105008651 569850257 /nfs/dbraw/zinc/85/02/57/569850257.db2.gz CNAYBHWDIOTPNA-GBXCKJPGSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105008651 569850259 /nfs/dbraw/zinc/85/02/59/569850259.db2.gz CNAYBHWDIOTPNA-GBXCKJPGSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010212 569850625 /nfs/dbraw/zinc/85/06/25/569850625.db2.gz DWCRCQWBWYUFEZ-SQJMNOBHSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010212 569850626 /nfs/dbraw/zinc/85/06/26/569850626.db2.gz DWCRCQWBWYUFEZ-SQJMNOBHSA-N 1 1 465.569 4.395 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@@H](c3ccccc3OC)C2)cc1OC ZINC000169680411 569870467 /nfs/dbraw/zinc/87/04/67/569870467.db2.gz PSYVTTRWVBQWEP-XMSQKQJNSA-N 1 1 451.567 4.265 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000230028094 570043786 /nfs/dbraw/zinc/04/37/86/570043786.db2.gz FBEBUSUVRUEQDQ-AOYPEHQESA-N 1 1 475.614 4.268 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245280382 570061950 /nfs/dbraw/zinc/06/19/50/570061950.db2.gz OTLBJIYRLJFSRN-UKILVPOCSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245280382 570061951 /nfs/dbraw/zinc/06/19/51/570061951.db2.gz OTLBJIYRLJFSRN-UKILVPOCSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245280380 570061969 /nfs/dbraw/zinc/06/19/69/570061969.db2.gz OTLBJIYRLJFSRN-ILBGXUMGSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245280380 570061970 /nfs/dbraw/zinc/06/19/70/570061970.db2.gz OTLBJIYRLJFSRN-ILBGXUMGSA-N 1 1 483.584 4.491 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000247865278 570070306 /nfs/dbraw/zinc/07/03/06/570070306.db2.gz IOWYQQPKKPAEHG-AVDZWTPASA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000247865278 570070309 /nfs/dbraw/zinc/07/03/09/570070309.db2.gz IOWYQQPKKPAEHG-AVDZWTPASA-N 1 1 470.356 4.041 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000247974438 570071917 /nfs/dbraw/zinc/07/19/17/570071917.db2.gz FEEQFOXOBUUIRT-UHFFFAOYSA-N 1 1 463.601 4.317 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)c1 ZINC000248122715 570074735 /nfs/dbraw/zinc/07/47/35/570074735.db2.gz SOHVXLVKSXPXRH-UHFFFAOYSA-N 1 1 459.638 4.486 50 0 JIAAMO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000248140469 570075315 /nfs/dbraw/zinc/07/53/15/570075315.db2.gz BQCLRZPRMGMXJD-UHFFFAOYSA-N 1 1 475.637 4.187 50 0 JIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248148777 570075448 /nfs/dbraw/zinc/07/54/48/570075448.db2.gz FWTWQTAIOQUQJT-GJZUVCINSA-N 1 1 472.601 4.190 50 0 JIAAMO COc1ccc(C[N@@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@H]32)cc1OC ZINC000248329528 570077687 /nfs/dbraw/zinc/07/76/87/570077687.db2.gz DFILFLBFZIMCIO-XDARBLIXSA-N 1 1 457.611 4.202 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252517131 570082790 /nfs/dbraw/zinc/08/27/90/570082790.db2.gz ANFRBLULAUNXFI-YRAONVGVSA-N 1 1 489.881 4.098 50 0 JIAAMO CCOc1ccc(-n2c(SCCC[NH+]3CCOCC3)nnc2-c2cccc(OC)c2)cc1 ZINC000253425401 570098801 /nfs/dbraw/zinc/09/88/01/570098801.db2.gz ALTMLNMXCWQHCZ-UHFFFAOYSA-N 1 1 454.596 4.156 50 0 JIAAMO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000004481722 194390950 /nfs/dbraw/zinc/39/09/50/194390950.db2.gz LKDRWIXKXUILAK-UHFFFAOYSA-N 1 1 471.888 4.298 50 0 JIAAMO COc1ccccc1NC(=O)c1ccc(N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012607748 195052529 /nfs/dbraw/zinc/05/25/29/195052529.db2.gz JYYOVBCNBNIGDE-OAQYLSRUSA-N 1 1 472.589 4.092 50 0 JIAAMO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000012623996 195058647 /nfs/dbraw/zinc/05/86/47/195058647.db2.gz DHEPVALOTPPKTI-QFIPXVFZSA-N 1 1 473.404 4.073 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000012685051 195085853 /nfs/dbraw/zinc/08/58/53/195085853.db2.gz PJZHRYFOZDRAOR-HSZRJFAPSA-N 1 1 467.591 4.062 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000012750684 195105471 /nfs/dbraw/zinc/10/54/71/195105471.db2.gz ICNUXCJIAKSXEA-CQSZACIVSA-N 1 1 456.340 4.267 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000012750684 195105472 /nfs/dbraw/zinc/10/54/72/195105472.db2.gz ICNUXCJIAKSXEA-CQSZACIVSA-N 1 1 456.340 4.267 50 0 JIAAMO Cn1c(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000012781798 195124952 /nfs/dbraw/zinc/12/49/52/195124952.db2.gz QWYTZGUCGHPWGI-UHFFFAOYSA-N 1 1 485.698 4.023 50 0 JIAAMO Cc1ccc2nc(-c3ccc(NC(=O)C4CC[NH+]([C@@H]5CCS(=O)(=O)C5)CC4)cc3)sc2c1 ZINC000012793425 195133823 /nfs/dbraw/zinc/13/38/23/195133823.db2.gz FEBMQDNFTIUASQ-HXUWFJFHSA-N 1 1 469.632 4.109 50 0 JIAAMO O=S(=O)(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000021535162 195310895 /nfs/dbraw/zinc/31/08/95/195310895.db2.gz JPMSDQDEDMRVMS-UHFFFAOYSA-N 1 1 471.526 4.149 50 0 JIAAMO CCC[N@H+]1Cc2ccc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2C1 ZINC000058163377 195369673 /nfs/dbraw/zinc/36/96/73/195369673.db2.gz YMHKOMZJENTUNY-FOWTUZBSSA-N 1 1 453.608 4.063 50 0 JIAAMO CC(C)COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309762 519757391 /nfs/dbraw/zinc/75/73/91/519757391.db2.gz YBYSYROXAQYCEK-QPPBQGQZSA-N 1 1 492.657 4.136 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3n(Cc3ccccn3)c2=O)C1 ZINC000012452470 520526480 /nfs/dbraw/zinc/52/64/80/520526480.db2.gz RQPRYCYEIFPVBO-HXUWFJFHSA-N 1 1 467.013 4.179 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccccc2OC)CCO3)C1 ZINC000014990329 520540846 /nfs/dbraw/zinc/54/08/46/520540846.db2.gz YJVMMTZUEBREPZ-DEOSSOPVSA-N 1 1 465.638 4.170 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCOc3ccc(C4(O)CCN(c5ccccc5F)CC4)cc3C2)CC1 ZINC000014884475 520926074 /nfs/dbraw/zinc/92/60/74/520926074.db2.gz FNHJLZWFBCDNRH-UHFFFAOYSA-N 1 1 497.611 4.129 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COC(C)C ZINC000036309404 521535324 /nfs/dbraw/zinc/53/53/24/521535324.db2.gz GEKJOAXKPIGCTB-VWNXMTODSA-N 1 1 488.694 4.368 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000036309492 521537435 /nfs/dbraw/zinc/53/74/35/521537435.db2.gz LOQWVRAYKCYJDD-QPPBQGQZSA-N 1 1 474.667 4.059 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 ZINC000021880332 521657083 /nfs/dbraw/zinc/65/70/83/521657083.db2.gz XNGFXTXGVQFFOK-FQEVSTJZSA-N 1 1 453.612 4.057 50 0 JIAAMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc4nc(-c5ccc(C)cc5)oc4c3)CC2)CC1 ZINC000033116040 521662234 /nfs/dbraw/zinc/66/22/34/521662234.db2.gz NVHXXYFSUTWOEI-UHFFFAOYSA-N 1 1 474.605 4.210 50 0 JIAAMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467012 521818793 /nfs/dbraw/zinc/81/87/93/521818793.db2.gz XPTOVLWZVFCPKW-NRFANRHFSA-N 1 1 460.603 4.215 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697780 522064760 /nfs/dbraw/zinc/06/47/60/522064760.db2.gz BKVZEHUTOFCGOV-SANMLTNESA-N 1 1 497.636 4.281 50 0 JIAAMO C[N@@H+](CCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1)C1CCCCC1 ZINC000033260177 522843380 /nfs/dbraw/zinc/84/33/80/522843380.db2.gz XRAPSIOWUGURRH-UHFFFAOYSA-N 1 1 496.059 4.042 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000014880987 523121189 /nfs/dbraw/zinc/12/11/89/523121189.db2.gz LYAZIDSWSWNZHT-UKILVPOCSA-N 1 1 483.628 4.109 50 0 JIAAMO COC(=O)CC[C@H]1CN(Cc2ccc(OC)c(C)c2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000014880987 523121195 /nfs/dbraw/zinc/12/11/95/523121195.db2.gz LYAZIDSWSWNZHT-UKILVPOCSA-N 1 1 483.628 4.109 50 0 JIAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)/C=C/c4cccc(F)c4)CC3)cc2)cn1 ZINC000012244278 523516228 /nfs/dbraw/zinc/51/62/28/523516228.db2.gz KGXIFVUUPNMSNS-DHZHZOJOSA-N 1 1 462.569 4.274 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020508276 523810480 /nfs/dbraw/zinc/81/04/80/523810480.db2.gz UQHJUNQSIMWCEZ-IGKWTDBASA-N 1 1 469.651 4.056 50 0 JIAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000008687951 523928251 /nfs/dbraw/zinc/92/82/51/523928251.db2.gz OORBZCIIWKPGFV-UHFFFAOYSA-N 1 1 492.645 4.019 50 0 JIAAMO COc1ccc(C[N@@H+](C)C(C)C)cc1OC1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000014980968 524002798 /nfs/dbraw/zinc/00/27/98/524002798.db2.gz XOUDKBVLAZIHGD-UHFFFAOYSA-N 1 1 453.583 4.177 50 0 JIAAMO CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000033288336 524009282 /nfs/dbraw/zinc/00/92/82/524009282.db2.gz DEPYHNNGCWFGOL-FQEVSTJZSA-N 1 1 451.615 4.038 50 0 JIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC(C)C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014748860 524042162 /nfs/dbraw/zinc/04/21/62/524042162.db2.gz CZGGYIQDUWSHQM-LEWJYISDSA-N 1 1 458.574 4.132 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000033318351 524198901 /nfs/dbraw/zinc/19/89/01/524198901.db2.gz DOSUUZVKBTYZOR-UHFFFAOYSA-N 1 1 453.930 4.280 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2C1 ZINC000033331794 524456049 /nfs/dbraw/zinc/45/60/49/524456049.db2.gz KXWVQBIVQCGYNY-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2C1 ZINC000033331794 524456056 /nfs/dbraw/zinc/45/60/56/524456056.db2.gz KXWVQBIVQCGYNY-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)CN3CCOCC3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306620 524786124 /nfs/dbraw/zinc/78/61/24/524786124.db2.gz ITHXRLJMXGGAPP-RUZDIDTESA-N 1 1 490.648 4.093 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cccc(C)c2C)cc1 ZINC000016225562 525503074 /nfs/dbraw/zinc/50/30/74/525503074.db2.gz VOWWRNIJWGQSEY-UHFFFAOYSA-N 1 1 491.657 4.152 50 0 JIAAMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022785070 525586590 /nfs/dbraw/zinc/58/65/90/525586590.db2.gz WWOWRMWJSXVSIV-BWKNWUBXSA-N 1 1 469.676 4.282 50 0 JIAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)Cn2nccc2C)C3)s1 ZINC000012280362 525740057 /nfs/dbraw/zinc/74/00/57/525740057.db2.gz MQHNJPHXDHVEPT-OAQYLSRUSA-N 1 1 494.661 4.370 50 0 JIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000018008427 526580526 /nfs/dbraw/zinc/58/05/26/526580526.db2.gz VQMULORKOFPAAS-JOCHJYFZSA-N 1 1 471.554 4.177 50 0 JIAAMO Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033173733 526860953 /nfs/dbraw/zinc/86/09/53/526860953.db2.gz OEWPTHJKCFQLCK-UHFFFAOYSA-N 1 1 463.547 4.369 50 0 JIAAMO Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000046141263 526864188 /nfs/dbraw/zinc/86/41/88/526864188.db2.gz LPPOBTIKICLCTR-UHFFFAOYSA-N 1 1 472.636 4.413 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000020385169 527666720 /nfs/dbraw/zinc/66/67/20/527666720.db2.gz FUIUPZDBZTYBDF-UHFFFAOYSA-N 1 1 486.641 4.341 50 0 JIAAMO O=C(c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000000647258 553728256 /nfs/dbraw/zinc/72/82/56/553728256.db2.gz YSDCQNVXTAGNPT-PMPSAXMXSA-N 1 1 498.347 4.226 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@@]21[C@H](C(=O)c2ccccc2)[C@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000002129895 554059873 /nfs/dbraw/zinc/05/98/73/554059873.db2.gz NEPASYFAGKCLAO-RZNYTTDSSA-N 1 1 463.537 4.010 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002430369 554204573 /nfs/dbraw/zinc/20/45/73/554204573.db2.gz ZKZUDSGOXJNPSH-YDLHNXBPSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000002629534 554252073 /nfs/dbraw/zinc/25/20/73/554252073.db2.gz ZJODBUNAXOHTHH-INIZCTEOSA-N 1 1 459.178 4.092 50 0 JIAAMO O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002770565 554336500 /nfs/dbraw/zinc/33/65/00/554336500.db2.gz KTLADZQNZMRSFJ-LLVKDONJSA-N 1 1 455.893 4.050 50 0 JIAAMO COc1ccc([C@@H]2C[C@H]3C[C@H](COC(=O)c4cc(OC)c(OC)c(OC)c4)CC[N@H+]3C2)cc1 ZINC000005220693 554487169 /nfs/dbraw/zinc/48/71/69/554487169.db2.gz VEJCWCSDKURLNQ-DUXKGJEZSA-N 1 1 455.551 4.146 50 0 biogenic JIAAMO Cc1oc2cc(OCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc2c(=O)c1-c1ccccc1 ZINC000008878174 554773789 /nfs/dbraw/zinc/77/37/89/554773789.db2.gz HRMSVZQXQZQTJP-IRLDBZIGSA-N 1 1 468.553 4.428 50 0 biogenic JIAAMO C[C@H](NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000008936444 554830465 /nfs/dbraw/zinc/83/04/65/554830465.db2.gz OVVKLDRIYWKPFF-NRFANRHFSA-N 1 1 484.600 4.467 50 0 JIAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292385 555067620 /nfs/dbraw/zinc/06/76/20/555067620.db2.gz GZMZHCSKXFQDLW-DQEYMECFSA-N 1 1 453.502 4.211 50 0 JIAAMO Cc1cccc(N2CC[N@@H+]([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C)c1 ZINC000009408734 555171633 /nfs/dbraw/zinc/17/16/33/555171633.db2.gz FIUCLLFZQMWXMP-WDJPJFJCSA-N 1 1 462.059 4.449 50 0 JIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000009442672 555215082 /nfs/dbraw/zinc/21/50/82/555215082.db2.gz RAQVAHLAQZMHFG-VWLOTQADSA-N 1 1 493.629 4.378 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000009501910 555286400 /nfs/dbraw/zinc/28/64/00/555286400.db2.gz PGAQINJGUSUSMZ-RUZDIDTESA-N 1 1 476.621 4.380 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009776958 555495284 /nfs/dbraw/zinc/49/52/84/555495284.db2.gz SBQFQZWQNFOQSX-KAYWLYCHSA-N 1 1 493.648 4.169 50 0 JIAAMO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000013572466 555511286 /nfs/dbraw/zinc/51/12/86/555511286.db2.gz IYIOPCNBPWTIBE-QHPPWGGTSA-N 1 1 478.589 4.282 50 0 JIAAMO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000009849605 555551786 /nfs/dbraw/zinc/55/17/86/555551786.db2.gz CYKZSCGTFYMVAI-UHFFFAOYSA-N 1 1 461.400 4.424 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104123 555636234 /nfs/dbraw/zinc/63/62/34/555636234.db2.gz YVYRKVYQIIOOQC-KAYWLYCHSA-N 1 1 475.633 4.473 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000020149305 555665096 /nfs/dbraw/zinc/66/50/96/555665096.db2.gz DJQAYSUYCLGAPN-UHFFFAOYSA-N 1 1 454.368 4.116 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014085113 555683944 /nfs/dbraw/zinc/68/39/44/555683944.db2.gz YOTPOOAGJBPKFK-IBGZPJMESA-N 1 1 476.602 4.388 50 0 JIAAMO C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288391 555757721 /nfs/dbraw/zinc/75/77/21/555757721.db2.gz HPMSDHSJRLGHSD-CYFREDJKSA-N 1 1 497.064 4.086 50 0 JIAAMO COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000020289732 555761186 /nfs/dbraw/zinc/76/11/86/555761186.db2.gz RJMSJXSVHYFSBW-UQBPGWFLSA-N 1 1 465.619 4.447 50 0 JIAAMO COC(=O)c1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000011343877 555774395 /nfs/dbraw/zinc/77/43/95/555774395.db2.gz IYHHABDLLJMBGJ-LJQANCHMSA-N 1 1 459.546 4.035 50 0 JIAAMO COC(=O)c1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000011343877 555774396 /nfs/dbraw/zinc/77/43/96/555774396.db2.gz IYHHABDLLJMBGJ-LJQANCHMSA-N 1 1 459.546 4.035 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1c1cccs1 ZINC000020508119 555792112 /nfs/dbraw/zinc/79/21/12/555792112.db2.gz LWKMNJOHRZCBPE-QPNVDGBVSA-N 1 1 483.678 4.159 50 0 JIAAMO COc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)Cc2ccon2)cc1 ZINC000011783271 555814322 /nfs/dbraw/zinc/81/43/22/555814322.db2.gz BVBJYXIRVRBUHV-PKTZIBPZSA-N 1 1 455.555 4.216 50 0 JIAAMO COc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)Cc2ccon2)cc1 ZINC000011783271 555814326 /nfs/dbraw/zinc/81/43/26/555814326.db2.gz BVBJYXIRVRBUHV-PKTZIBPZSA-N 1 1 455.555 4.216 50 0 JIAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014534769 555823699 /nfs/dbraw/zinc/82/36/99/555823699.db2.gz QQWBGXCLUMXGJB-RUZDIDTESA-N 1 1 452.602 4.265 50 0 JIAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccccc2-c2ccco2)CC3)c1 ZINC000011814040 555829607 /nfs/dbraw/zinc/82/96/07/555829607.db2.gz UBWHDZQOMBWJPM-LJQANCHMSA-N 1 1 471.561 4.096 50 0 JIAAMO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011814700 555829915 /nfs/dbraw/zinc/82/99/15/555829915.db2.gz LFTMKNJRZKLVKR-MUUNZHRXSA-N 1 1 492.627 4.430 50 0 JIAAMO COc1ccc(OC)c(NCc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000020576313 555831003 /nfs/dbraw/zinc/83/10/03/555831003.db2.gz UFHRIUGRWAVGAA-UHFFFAOYSA-N 1 1 490.633 4.280 50 0 JIAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000020581337 555834905 /nfs/dbraw/zinc/83/49/05/555834905.db2.gz BJZGBQPOXDLUEZ-UHFFFAOYSA-N 1 1 481.618 4.118 50 0 JIAAMO OC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CN(Cc1cccn1-c1ccc(Cl)cn1)CCO2 ZINC000011881811 555850294 /nfs/dbraw/zinc/85/02/94/555850294.db2.gz WEJNKRFBAPXTHA-DEOSSOPVSA-N 1 1 467.013 4.267 50 0 JIAAMO CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011910333 555857712 /nfs/dbraw/zinc/85/77/12/555857712.db2.gz ACGSVGLTOUCARZ-DEOSSOPVSA-N 1 1 495.023 4.398 50 0 JIAAMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030613 555865003 /nfs/dbraw/zinc/86/50/03/555865003.db2.gz JATIRVNZSXGEIV-AWEZNQCLSA-N 1 1 471.321 4.402 50 0 JIAAMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030613 555865008 /nfs/dbraw/zinc/86/50/08/555865008.db2.gz JATIRVNZSXGEIV-AWEZNQCLSA-N 1 1 471.321 4.402 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000012048487 555895744 /nfs/dbraw/zinc/89/57/44/555895744.db2.gz RTUPWDBBNSAOTK-QGZVFWFLSA-N 1 1 484.526 4.440 50 0 JIAAMO O=C(CNC(=O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)Nc1ccccc1Br ZINC000015483817 555911118 /nfs/dbraw/zinc/91/11/18/555911118.db2.gz KMZASHSBRNMCLS-UHFFFAOYSA-N 1 1 476.390 4.478 50 0 JIAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2)C(C)C ZINC000012132863 555912324 /nfs/dbraw/zinc/91/23/24/555912324.db2.gz RADLQFIFSDMRQZ-AREMUKBSSA-N 1 1 460.626 4.328 50 0 JIAAMO C/C=C(\C)C[N@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000012151254 555923764 /nfs/dbraw/zinc/92/37/64/555923764.db2.gz TXDNMARIXMRNRW-BHVIYNAPSA-N 1 1 450.608 4.389 50 0 JIAAMO C/C=C(\C)C[N@@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000012151254 555923766 /nfs/dbraw/zinc/92/37/66/555923766.db2.gz TXDNMARIXMRNRW-BHVIYNAPSA-N 1 1 450.608 4.389 50 0 JIAAMO COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)c21 ZINC000012152481 555926421 /nfs/dbraw/zinc/92/64/21/555926421.db2.gz XFNJQCPEWBXRKR-FQEVSTJZSA-N 1 1 483.657 4.052 50 0 JIAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000015671340 555928289 /nfs/dbraw/zinc/92/82/89/555928289.db2.gz AYDUOTGJADBXGR-UHFFFAOYSA-N 1 1 453.568 4.247 50 0 JIAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)nc1CSc1ccccc1 ZINC000022936590 555989442 /nfs/dbraw/zinc/98/94/42/555989442.db2.gz FYAYZRMXJKAYLA-UHFFFAOYSA-N 1 1 464.635 4.310 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000023055248 556003351 /nfs/dbraw/zinc/00/33/51/556003351.db2.gz XPMDWKIAMKSWEV-UHFFFAOYSA-N 1 1 495.620 4.307 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000023055248 556003355 /nfs/dbraw/zinc/00/33/55/556003355.db2.gz XPMDWKIAMKSWEV-UHFFFAOYSA-N 1 1 495.620 4.307 50 0 JIAAMO COc1cccc(OCC[NH+]2CCN(c3nc4ccccc4c(NCc4ccco4)n3)CC2)c1 ZINC000023109510 556010248 /nfs/dbraw/zinc/01/02/48/556010248.db2.gz ZAGVJBKLTUSYHW-UHFFFAOYSA-N 1 1 459.550 4.045 50 0 JIAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)C1CCCCC1 ZINC000023128975 556018143 /nfs/dbraw/zinc/01/81/43/556018143.db2.gz ZJXFWTXCCRUBCM-UHFFFAOYSA-N 1 1 487.648 4.154 50 0 JIAAMO CN(C)c1cccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)c1 ZINC000023130746 556019759 /nfs/dbraw/zinc/01/97/59/556019759.db2.gz WGEGHQQIPZRSJK-BKMJKUGQSA-N 1 1 485.072 4.348 50 0 JIAAMO CN(C)c1cccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2[NH+]2CCOCC2)c1 ZINC000023130746 556019762 /nfs/dbraw/zinc/01/97/62/556019762.db2.gz WGEGHQQIPZRSJK-BKMJKUGQSA-N 1 1 485.072 4.348 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023334999 556044179 /nfs/dbraw/zinc/04/41/79/556044179.db2.gz CTRBHGCUNRRVTO-UHFFFAOYSA-N 1 1 473.621 4.186 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868581 556045698 /nfs/dbraw/zinc/04/56/98/556045698.db2.gz LWMXCQOFZGXXDH-NZQKXSOJSA-N 1 1 452.643 4.427 50 0 JIAAMO C[N@@H+]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C[C@@H]1c1ccccc1 ZINC000023374958 556050183 /nfs/dbraw/zinc/05/01/83/556050183.db2.gz CRQRSVUCSIMAAD-OAQYLSRUSA-N 1 1 451.640 4.291 50 0 JIAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C[C@@H]1c1ccccc1 ZINC000023374958 556050185 /nfs/dbraw/zinc/05/01/85/556050185.db2.gz CRQRSVUCSIMAAD-OAQYLSRUSA-N 1 1 451.640 4.291 50 0 JIAAMO CCc1oc2ccccc2c1C[N@H+](C)Cn1c(C[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000023982516 556110095 /nfs/dbraw/zinc/11/00/95/556110095.db2.gz XMWWUGVDWDIRBN-SFHVURJKSA-N 1 1 451.592 4.412 50 0 JIAAMO CCc1oc2ccccc2c1C[N@@H+](C)Cn1c(C[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000023982516 556110096 /nfs/dbraw/zinc/11/00/96/556110096.db2.gz XMWWUGVDWDIRBN-SFHVURJKSA-N 1 1 451.592 4.412 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016011743 556110565 /nfs/dbraw/zinc/11/05/65/556110565.db2.gz AEFPDQHBOGSGGK-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016011743 556110567 /nfs/dbraw/zinc/11/05/67/556110567.db2.gz AEFPDQHBOGSGGK-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000024022959 556116643 /nfs/dbraw/zinc/11/66/43/556116643.db2.gz LNJYFUNIOOOECL-AREMUKBSSA-N 1 1 465.569 4.332 50 0 JIAAMO O=C(c1cccc2ccccc21)N1CCC[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000024622533 556142989 /nfs/dbraw/zinc/14/29/89/556142989.db2.gz TVUNSIMLMFWRKU-RUZDIDTESA-N 1 1 455.602 4.079 50 0 JIAAMO O=C(Cc1cccc2ccccc21)NCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024840328 556160055 /nfs/dbraw/zinc/16/00/55/556160055.db2.gz IABFOABGRUCLHL-UHFFFAOYSA-N 1 1 483.534 4.252 50 0 JIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000017042689 556209112 /nfs/dbraw/zinc/20/91/12/556209112.db2.gz PNFQXLZJPZTLRS-UHFFFAOYSA-N 1 1 457.987 4.001 50 0 JIAAMO CCOc1c(C)cc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1C ZINC000017306977 556254357 /nfs/dbraw/zinc/25/43/57/556254357.db2.gz GZLXOMQZKGASGH-UHFFFAOYSA-N 1 1 495.649 4.363 50 0 JIAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)CC1 ZINC000026533429 556256085 /nfs/dbraw/zinc/25/60/85/556256085.db2.gz PPTVGGKLSNPXOD-UHFFFAOYSA-N 1 1 457.534 4.375 50 0 JIAAMO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000013062727 556258048 /nfs/dbraw/zinc/25/80/48/556258048.db2.gz MWFPMORPUUYRGH-UHFFFAOYSA-N 1 1 455.889 4.418 50 0 JIAAMO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217472 556311836 /nfs/dbraw/zinc/31/18/36/556311836.db2.gz VNFOZTRLVFHMPP-SANMLTNESA-N 1 1 492.019 4.350 50 0 JIAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000029699925 556355656 /nfs/dbraw/zinc/35/56/56/556355656.db2.gz BFZURHWVECZLHS-JOCHJYFZSA-N 1 1 477.527 4.208 50 0 JIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000029699925 556355659 /nfs/dbraw/zinc/35/56/59/556355659.db2.gz BFZURHWVECZLHS-JOCHJYFZSA-N 1 1 477.527 4.208 50 0 JIAAMO CCCCOCCCNC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823645 556394477 /nfs/dbraw/zinc/39/44/77/556394477.db2.gz LWCFSVVETZSBCV-UHFFFAOYSA-N 1 1 465.638 4.023 50 0 JIAAMO O=C(CCNC(=O)c1ccco1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000032809441 556498984 /nfs/dbraw/zinc/49/89/84/556498984.db2.gz JGBRVQQIZPZCEM-UHFFFAOYSA-N 1 1 457.983 4.126 50 0 JIAAMO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000053219112 563205204 /nfs/dbraw/zinc/20/52/04/563205204.db2.gz SLHOTSULTKLUPX-UHFFFAOYSA-N 1 1 469.560 4.209 50 0 JIAAMO CC(C)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)on1 ZINC000055384468 569591641 /nfs/dbraw/zinc/59/16/41/569591641.db2.gz BTKHHRSABYTGSK-LJQANCHMSA-N 1 1 450.505 4.244 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000008720281 569597951 /nfs/dbraw/zinc/59/79/51/569597951.db2.gz ZHKDWRBKHHQDHN-UHFFFAOYSA-N 1 1 493.629 4.412 50 0 JIAAMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000062626383 569613734 /nfs/dbraw/zinc/61/37/34/569613734.db2.gz HKMWDOLBEVBOMT-HXUWFJFHSA-N 1 1 485.009 4.386 50 0 JIAAMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000062626383 569613735 /nfs/dbraw/zinc/61/37/35/569613735.db2.gz HKMWDOLBEVBOMT-HXUWFJFHSA-N 1 1 485.009 4.386 50 0 JIAAMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000062678880 569614178 /nfs/dbraw/zinc/61/41/78/569614178.db2.gz ZYLNCHROGJQINO-UHFFFAOYSA-N 1 1 479.602 4.253 50 0 JIAAMO C[N@@H+](CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21)C1CCCCC1 ZINC000033332060 569624623 /nfs/dbraw/zinc/62/46/23/569624623.db2.gz PNEYZMAPBDWEFO-UHFFFAOYSA-N 1 1 487.442 4.178 50 0 JIAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1C ZINC000064801833 569631639 /nfs/dbraw/zinc/63/16/39/569631639.db2.gz OEPIZMHWAAMYCJ-UHFFFAOYSA-N 1 1 453.568 4.247 50 0 JIAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2cc(-c3ccccc3)ncn2)CC1)Cc1ccccc1 ZINC000064872560 569640745 /nfs/dbraw/zinc/64/07/45/569640745.db2.gz UQRFEDLJLUUAFR-UHFFFAOYSA-N 1 1 457.622 4.388 50 0 JIAAMO COc1ccc(OC)c(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)c1 ZINC000034681908 569643606 /nfs/dbraw/zinc/64/36/06/569643606.db2.gz DEEJPWVJLUTNBK-UHFFFAOYSA-N 1 1 482.531 4.342 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)CC(C)C)[C@H](C)C1 ZINC000034830284 569663879 /nfs/dbraw/zinc/66/38/79/569663879.db2.gz NJAWSBSUFJETEB-JIPXPUAJSA-N 1 1 467.679 4.500 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035165671 569677132 /nfs/dbraw/zinc/67/71/32/569677132.db2.gz WBXVAXJMDKXTKO-DAHKTCFSSA-N 1 1 470.500 4.463 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035165671 569677133 /nfs/dbraw/zinc/67/71/33/569677133.db2.gz WBXVAXJMDKXTKO-DAHKTCFSSA-N 1 1 470.500 4.463 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000035374617 569684209 /nfs/dbraw/zinc/68/42/09/569684209.db2.gz JOPUQPAPCXEEHS-MSCJQJAMSA-N 1 1 463.537 4.010 50 0 JIAAMO O=C(c1cnc2ccc(F)cc2c1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCCCC1 ZINC000067288139 569684795 /nfs/dbraw/zinc/68/47/95/569684795.db2.gz CJAHFVJIXMSSJR-UHFFFAOYSA-N 1 1 476.552 4.051 50 0 JIAAMO COc1cccc([C@@H](CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)[NH+](C)C)c1 ZINC000069531641 569693279 /nfs/dbraw/zinc/69/32/79/569693279.db2.gz FNHRCBJDDFQDPX-OAQYLSRUSA-N 1 1 488.510 4.118 50 0 JIAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)cc2)C1 ZINC000069615434 569693536 /nfs/dbraw/zinc/69/35/36/569693536.db2.gz MRQXJKUGBKBBAQ-SFHVURJKSA-N 1 1 482.675 4.477 50 0 JIAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000070017076 569694888 /nfs/dbraw/zinc/69/48/88/569694888.db2.gz MYATWHDSUZQVNR-DHIUTWEWSA-N 1 1 454.567 4.222 50 0 JIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000070017076 569694889 /nfs/dbraw/zinc/69/48/89/569694889.db2.gz MYATWHDSUZQVNR-DHIUTWEWSA-N 1 1 454.567 4.222 50 0 JIAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910565 569725787 /nfs/dbraw/zinc/72/57/87/569725787.db2.gz HLVMGRVMFGTOTD-QFIPXVFZSA-N 1 1 455.549 4.369 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000035911139 569726378 /nfs/dbraw/zinc/72/63/78/569726378.db2.gz IJDNGSDGRNZCKZ-ILBGXUMGSA-N 1 1 456.030 4.374 50 0 JIAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)nc(C)[nH+]2)cc1 ZINC000096646349 569742812 /nfs/dbraw/zinc/74/28/12/569742812.db2.gz HMXXQCJXUNOFMW-UHFFFAOYSA-N 1 1 465.623 4.273 50 0 JIAAMO C[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4ccccc4)cnn(-c4ccc(F)cc4)c3=O)cc2)CC1 ZINC000036094178 569756779 /nfs/dbraw/zinc/75/67/79/569756779.db2.gz YHENFWDMDTUBKK-UHFFFAOYSA-N 1 1 499.546 4.295 50 0 JIAAMO C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250190 569758122 /nfs/dbraw/zinc/75/81/22/569758122.db2.gz LNLVNOGMUSUONS-AVRDEDQJSA-N 1 1 465.560 4.423 50 0 JIAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1 ZINC000036249948 569758149 /nfs/dbraw/zinc/75/81/49/569758149.db2.gz YIBZFOSWBPWYNQ-OAQYLSRUSA-N 1 1 469.607 4.030 50 0 JIAAMO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250572 569758350 /nfs/dbraw/zinc/75/83/50/569758350.db2.gz LWTFCIWDMHFRTC-VWLOTQADSA-N 1 1 466.025 4.242 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)CC1 ZINC000036312250 569760063 /nfs/dbraw/zinc/76/00/63/569760063.db2.gz ZRBAQKNGFWVIQM-QHCPKHFHSA-N 1 1 496.558 4.193 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1 ZINC000036316005 569761976 /nfs/dbraw/zinc/76/19/76/569761976.db2.gz VNMHTIHFESXRQI-QFIPXVFZSA-N 1 1 453.583 4.034 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036341057 569764339 /nfs/dbraw/zinc/76/43/39/569764339.db2.gz JLXYSXCUAYQIHC-CYFREDJKSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036341057 569764341 /nfs/dbraw/zinc/76/43/41/569764341.db2.gz JLXYSXCUAYQIHC-CYFREDJKSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036341056 569764358 /nfs/dbraw/zinc/76/43/58/569764358.db2.gz JLXYSXCUAYQIHC-DVECYGJZSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036341056 569764359 /nfs/dbraw/zinc/76/43/59/569764359.db2.gz JLXYSXCUAYQIHC-DVECYGJZSA-N 1 1 483.996 4.301 50 0 JIAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CN1CCOCC1 ZINC000036342021 569765127 /nfs/dbraw/zinc/76/51/27/569765127.db2.gz TUKSJYNWNQFHFY-XUZZJYLKSA-N 1 1 496.627 4.406 50 0 JIAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)c1 ZINC000036342530 569765821 /nfs/dbraw/zinc/76/58/21/569765821.db2.gz MAJJTPMOAFFEGY-QHCPKHFHSA-N 1 1 453.970 4.165 50 0 JIAAMO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344044 569766681 /nfs/dbraw/zinc/76/66/81/569766681.db2.gz HPADYEAMRDEYGX-DEOSSOPVSA-N 1 1 451.567 4.266 50 0 JIAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037213042 569781780 /nfs/dbraw/zinc/78/17/80/569781780.db2.gz ROLXXJNXDVSTAO-KBPBESRZSA-N 1 1 454.621 4.152 50 0 JIAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037213042 569781781 /nfs/dbraw/zinc/78/17/81/569781781.db2.gz ROLXXJNXDVSTAO-KBPBESRZSA-N 1 1 454.621 4.152 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(C)c3)c2)CC1 ZINC000037435775 569790094 /nfs/dbraw/zinc/79/00/94/569790094.db2.gz UYCDXXODJUXRNT-DQSJHHFOSA-N 1 1 476.646 4.042 50 0 JIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000037523679 569792926 /nfs/dbraw/zinc/79/29/26/569792926.db2.gz YMUBPHOVVWBRNV-NZQKXSOJSA-N 1 1 482.518 4.182 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000101497557 569800914 /nfs/dbraw/zinc/80/09/14/569800914.db2.gz WYQAOAMUHLVFOL-KRWDZBQOSA-N 1 1 485.654 4.100 50 0 JIAAMO COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000101497557 569800915 /nfs/dbraw/zinc/80/09/15/569800915.db2.gz WYQAOAMUHLVFOL-KRWDZBQOSA-N 1 1 485.654 4.100 50 0 JIAAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104917139 569847126 /nfs/dbraw/zinc/84/71/26/569847126.db2.gz RHMBWQDSBGBJGS-AOYPEHQESA-N 1 1 494.561 4.322 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COCc1ccco1 ZINC000105003877 569849428 /nfs/dbraw/zinc/84/94/28/569849428.db2.gz IMKSQKYNHQRJTC-XUZZJYLKSA-N 1 1 498.645 4.054 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccccc2C)C1 ZINC000105011108 569850892 /nfs/dbraw/zinc/85/08/92/569850892.db2.gz KRYYMDZTQPHXKO-GBXCKJPGSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccccc2C)C1 ZINC000105011108 569850893 /nfs/dbraw/zinc/85/08/93/569850893.db2.gz KRYYMDZTQPHXKO-GBXCKJPGSA-N 1 1 451.542 4.087 50 0 JIAAMO O=C(NCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679279 569869580 /nfs/dbraw/zinc/86/95/80/569869580.db2.gz OONLYAQEVINLIU-GGAORHGYSA-N 1 1 458.528 4.022 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680157 569870256 /nfs/dbraw/zinc/87/02/56/569870256.db2.gz SUSOTSAFUJUOSS-ZJSXRUAMSA-N 1 1 474.667 4.059 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)Cc1ccccc1 ZINC000169680381 569870485 /nfs/dbraw/zinc/87/04/85/569870485.db2.gz WXCATHIYEHFGLP-UKILVPOCSA-N 1 1 478.658 4.487 50 0 JIAAMO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000169681025 569870780 /nfs/dbraw/zinc/87/07/80/569870780.db2.gz MXXCEBUIIUISPG-GOTSBHOMSA-N 1 1 467.031 4.279 50 0 JIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000169681025 569870781 /nfs/dbraw/zinc/87/07/81/569870781.db2.gz MXXCEBUIIUISPG-GOTSBHOMSA-N 1 1 467.031 4.279 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000195541931 569873573 /nfs/dbraw/zinc/87/35/73/569873573.db2.gz LQOXGXHYMADDCP-QDPGVEIFSA-N 1 1 461.558 4.294 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000195541931 569873574 /nfs/dbraw/zinc/87/35/74/569873574.db2.gz LQOXGXHYMADDCP-QDPGVEIFSA-N 1 1 461.558 4.294 50 0 JIAAMO Cc1[nH]c2ccccc2c1[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000239119595 570048900 /nfs/dbraw/zinc/04/89/00/570048900.db2.gz IWSRKBMDBNICSK-CLJLJLNGSA-N 1 1 465.553 4.405 50 0 JIAAMO O=C(CN1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000245225574 570054770 /nfs/dbraw/zinc/05/47/70/570054770.db2.gz YJRMUQWVGCWAGH-XTEPFMGCSA-N 1 1 488.676 4.240 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000245237081 570057212 /nfs/dbraw/zinc/05/72/12/570057212.db2.gz DXNUCWMGAMRILS-REWPJTCUSA-N 1 1 453.539 4.077 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000245237081 570057213 /nfs/dbraw/zinc/05/72/13/570057213.db2.gz DXNUCWMGAMRILS-REWPJTCUSA-N 1 1 453.539 4.077 50 0 JIAAMO CCN1CC[NH+](C[C@@H](O)CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)CC1 ZINC000245242267 570058778 /nfs/dbraw/zinc/05/87/78/570058778.db2.gz TWVJVHCTCLPIGE-UFHPHHKVSA-N 1 1 464.698 4.380 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)C ZINC000245325632 570064441 /nfs/dbraw/zinc/06/44/41/570064441.db2.gz BNTHIQDVVCNFLR-SIKLNZKXSA-N 1 1 481.058 4.014 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000245326125 570064747 /nfs/dbraw/zinc/06/47/47/570064747.db2.gz DGCMDSNAYMKGAI-AFMDSPMNSA-N 1 1 479.671 4.059 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000245326125 570064749 /nfs/dbraw/zinc/06/47/49/570064749.db2.gz DGCMDSNAYMKGAI-AFMDSPMNSA-N 1 1 479.671 4.059 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245380621 570067560 /nfs/dbraw/zinc/06/75/60/570067560.db2.gz CQTOGAJBFITDOY-XXBNENTESA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245380621 570067562 /nfs/dbraw/zinc/06/75/62/570067562.db2.gz CQTOGAJBFITDOY-XXBNENTESA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245380621 570067564 /nfs/dbraw/zinc/06/75/64/570067564.db2.gz CQTOGAJBFITDOY-XXBNENTESA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245380621 570067565 /nfs/dbraw/zinc/06/75/65/570067565.db2.gz CQTOGAJBFITDOY-XXBNENTESA-N 1 1 453.970 4.391 50 0 JIAAMO CC(C)c1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C)CC3)CC2)cc1 ZINC000247722595 570069048 /nfs/dbraw/zinc/06/90/48/570069048.db2.gz BSNAZPCARGWZJU-UHFFFAOYSA-N 1 1 459.638 4.258 50 0 JIAAMO Cc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000248088083 570073791 /nfs/dbraw/zinc/07/37/91/570073791.db2.gz GBCSTHDASIXMBF-UHFFFAOYSA-N 1 1 459.638 4.486 50 0 JIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248148783 570075425 /nfs/dbraw/zinc/07/54/25/570075425.db2.gz FWTWQTAIOQUQJT-NVQXNPDNSA-N 1 1 472.601 4.190 50 0 JIAAMO CCCC[NH+]1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248216774 570076326 /nfs/dbraw/zinc/07/63/26/570076326.db2.gz GPPNTZVMZURTSO-QFIPXVFZSA-N 1 1 477.628 4.321 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248329689 570077756 /nfs/dbraw/zinc/07/77/56/570077756.db2.gz DSURUBCWJNTTIP-GSRZOBFVSA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4ccc(C)c(C)c4)CC3)CC2)nc2ccccc21 ZINC000249691954 570078463 /nfs/dbraw/zinc/07/84/63/570078463.db2.gz MAXURMRFPVOZBA-UHFFFAOYSA-N 1 1 459.638 4.234 50 0 JIAAMO COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000257198566 570107389 /nfs/dbraw/zinc/10/73/89/570107389.db2.gz CJSFTDVMBWLYJX-MSASXPPRSA-N 1 1 460.622 4.358 50 0 JIAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000004034960 194371400 /nfs/dbraw/zinc/37/14/00/194371400.db2.gz RJYPWYYZMZYMIR-HKBQPEDESA-N 1 1 466.047 4.323 50 0 JIAAMO CN1CCN(c2ccc(Cl)cc2NC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CC1 ZINC000012605957 195051746 /nfs/dbraw/zinc/05/17/46/195051746.db2.gz PFTIVLAJOBTNBS-UHFFFAOYSA-N 1 1 477.440 4.141 50 0 JIAAMO COc1ccc([C@@H]2C[C@H]3C[C@@H](COC(=O)c4cc(OC)c(OC)c(OC)c4)CC[N@H+]3C2)cc1 ZINC000012660255 195080090 /nfs/dbraw/zinc/08/00/90/195080090.db2.gz VEJCWCSDKURLNQ-IOMROCGXSA-N 1 1 455.551 4.146 50 0 biogenic JIAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC000012757454 195109135 /nfs/dbraw/zinc/10/91/35/195109135.db2.gz YSTUZEYIXNLTLR-HXUWFJFHSA-N 1 1 484.449 4.201 50 0 JIAAMO COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+](C)C ZINC000012778956 195122896 /nfs/dbraw/zinc/12/28/96/195122896.db2.gz JVVCSDLNSPVHOY-FPOVZHCZSA-N 1 1 466.409 4.176 50 0 JIAAMO Cc1ccc(CCNC(=O)CNC(=S)N2CC[N@@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)cc1 ZINC000020687670 195205498 /nfs/dbraw/zinc/20/54/98/195205498.db2.gz VCXVTNUQSUZBOT-UHFFFAOYSA-N 1 1 492.733 4.357 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)n(Cc3ccccc3)c21 ZINC000020774873 195223676 /nfs/dbraw/zinc/22/36/76/195223676.db2.gz IWKOBMFDDZMHNI-JOCHJYFZSA-N 1 1 461.610 4.202 50 0 JIAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)C[N@@H+](Cc3ccccc3)C4)cc2)c1N ZINC000021115449 195278524 /nfs/dbraw/zinc/27/85/24/195278524.db2.gz HKWWIHUPZBGABR-UHFFFAOYSA-N 1 1 481.556 4.399 50 0 JIAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)C[N@H+](Cc3ccccc3)C4)cc2)c1N ZINC000021115449 195278526 /nfs/dbraw/zinc/27/85/26/195278526.db2.gz HKWWIHUPZBGABR-UHFFFAOYSA-N 1 1 481.556 4.399 50 0 JIAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021364790 195299866 /nfs/dbraw/zinc/29/98/66/195299866.db2.gz VVXJIBDMPCXRTI-AREMUKBSSA-N 1 1 454.615 4.143 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478341 195343621 /nfs/dbraw/zinc/34/36/21/195343621.db2.gz SKPKZPAOOPDQEQ-XMMPIXPASA-N 1 1 467.997 4.466 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038528 195363393 /nfs/dbraw/zinc/36/33/93/195363393.db2.gz CIRKDOSLJLFKPN-DEOSSOPVSA-N 1 1 451.567 4.167 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038528 195363395 /nfs/dbraw/zinc/36/33/95/195363395.db2.gz CIRKDOSLJLFKPN-DEOSSOPVSA-N 1 1 451.567 4.167 50 0 JIAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038528 195363397 /nfs/dbraw/zinc/36/33/97/195363397.db2.gz CIRKDOSLJLFKPN-DEOSSOPVSA-N 1 1 451.567 4.167 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038528 195363398 /nfs/dbraw/zinc/36/33/98/195363398.db2.gz CIRKDOSLJLFKPN-DEOSSOPVSA-N 1 1 451.567 4.167 50 0 JIAAMO O=C(COCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000058064420 195364088 /nfs/dbraw/zinc/36/40/88/195364088.db2.gz LADNSMACTKRPCP-SANMLTNESA-N 1 1 456.030 4.076 50 0 JIAAMO CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882625 518979445 /nfs/dbraw/zinc/97/94/45/518979445.db2.gz DOIDUXSXOYWIGM-FQEVSTJZSA-N 1 1 492.689 4.413 50 0 JIAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCc1ccccc1 ZINC000036158688 519652343 /nfs/dbraw/zinc/65/23/43/519652343.db2.gz BYMQNXVFOLRQKR-FQEVSTJZSA-N 1 1 469.651 4.289 50 0 JIAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCc1ccccc1 ZINC000036158688 519652345 /nfs/dbraw/zinc/65/23/45/519652345.db2.gz BYMQNXVFOLRQKR-FQEVSTJZSA-N 1 1 469.651 4.289 50 0 JIAAMO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)C1 ZINC000014982460 519654508 /nfs/dbraw/zinc/65/45/08/519654508.db2.gz GDAUVUONALRJHN-UFHPHHKVSA-N 1 1 486.660 4.346 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036306351 520092555 /nfs/dbraw/zinc/09/25/55/520092555.db2.gz GLCOHEAKIAOAIB-QFIPXVFZSA-N 1 1 453.583 4.034 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1 ZINC000036305109 520153326 /nfs/dbraw/zinc/15/33/26/520153326.db2.gz OEUOQBDRJOZXIA-OAQYLSRUSA-N 1 1 474.001 4.379 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308630 520155807 /nfs/dbraw/zinc/15/58/07/520155807.db2.gz FCFRNKZVMGFGJH-NOZRDPDXSA-N 1 1 465.594 4.351 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308630 520155813 /nfs/dbraw/zinc/15/58/13/520155813.db2.gz FCFRNKZVMGFGJH-NOZRDPDXSA-N 1 1 465.594 4.351 50 0 JIAAMO CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)cc1 ZINC000036188962 521115387 /nfs/dbraw/zinc/11/53/87/521115387.db2.gz VHACXQSQJVTRLD-UHFFFAOYSA-N 1 1 489.613 4.116 50 0 JIAAMO CCC(=O)N1CCN(CCOc2ccc(C[N@@H+](C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000014979844 521122664 /nfs/dbraw/zinc/12/26/64/521122664.db2.gz LKOREGAWSAXYMX-UHFFFAOYSA-N 1 1 451.636 4.466 50 0 JIAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036308992 521182016 /nfs/dbraw/zinc/18/20/16/521182016.db2.gz JLIPPFYTAUXHIZ-URXFXBBRSA-N 1 1 474.667 4.061 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000036309146 521534978 /nfs/dbraw/zinc/53/49/78/521534978.db2.gz XWEAHPLEMPWKGF-RDGATRHJSA-N 1 1 488.694 4.307 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000035457056 521540141 /nfs/dbraw/zinc/54/01/41/521540141.db2.gz FYDVQVCBJNUFLF-UHFFFAOYSA-N 1 1 450.970 4.046 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457056 521540154 /nfs/dbraw/zinc/54/01/54/521540154.db2.gz FYDVQVCBJNUFLF-UHFFFAOYSA-N 1 1 450.970 4.046 50 0 JIAAMO CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3Cc3ccc(Cl)cc3)CC2)CC1 ZINC000020383172 521662259 /nfs/dbraw/zinc/66/22/59/521662259.db2.gz RVEVTQQNSXPGTD-UHFFFAOYSA-N 1 1 499.080 4.421 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2oc3c(c2C)-c2nn(Cc4ccccc4Cl)cc2CC3)CC1 ZINC000020490235 521682510 /nfs/dbraw/zinc/68/25/10/521682510.db2.gz MIIBOGJCLUOCGJ-UHFFFAOYSA-N 1 1 496.055 4.009 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CC[N@H+](Cc1cccc3ccccc31)CC2 ZINC000014888376 522015324 /nfs/dbraw/zinc/01/53/24/522015324.db2.gz JKFMXWXIBHDNCF-UHFFFAOYSA-N 1 1 493.607 4.267 50 0 JIAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304655 522399463 /nfs/dbraw/zinc/39/94/63/522399463.db2.gz FDQUWFSTKUEQHE-QFIPXVFZSA-N 1 1 451.567 4.201 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@@H]34)C(C)=O)CCCC2)cc(OC)c1 ZINC000033435684 522646596 /nfs/dbraw/zinc/64/65/96/522646596.db2.gz XWUPNWHVGPCUMK-YKSBVNFPSA-N 1 1 457.615 4.068 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccccc1 ZINC000033131362 522765810 /nfs/dbraw/zinc/76/58/10/522765810.db2.gz MFEHOPDYUWMCNG-UHFFFAOYSA-N 1 1 478.058 4.157 50 0 JIAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccc(Cl)c2)CC3)o1 ZINC000012282301 522964545 /nfs/dbraw/zinc/96/45/45/522964545.db2.gz JZHFGXMFENIHGG-OAQYLSRUSA-N 1 1 486.016 4.246 50 0 JIAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(Cl)c2)CC3)o1 ZINC000012282301 522964552 /nfs/dbraw/zinc/96/45/52/522964552.db2.gz JZHFGXMFENIHGG-OAQYLSRUSA-N 1 1 486.016 4.246 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036305326 523734704 /nfs/dbraw/zinc/73/47/04/523734704.db2.gz CUGAAHKPOJHEAT-JOCHJYFZSA-N 1 1 483.609 4.122 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036307417 523735535 /nfs/dbraw/zinc/73/55/35/523735535.db2.gz XGUSMNXVMAGJAE-JOCHJYFZSA-N 1 1 471.573 4.253 50 0 JIAAMO COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036345634 524174853 /nfs/dbraw/zinc/17/48/53/524174853.db2.gz OCLKMHBSZWJSDT-GDLZYMKVSA-N 1 1 482.628 4.499 50 0 JIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(NC(=O)c3nnc(COc4ccccc4)s3)cc2)C1 ZINC000033028000 524222224 /nfs/dbraw/zinc/22/22/24/524222224.db2.gz VXDUALIIZRXNGC-LJQANCHMSA-N 1 1 493.633 4.221 50 0 JIAAMO C[C@H](CCc1c[nH]c2ccccc12)[N@H+]1CCc2c(c(C(=O)N(C)C)nn2CCC(F)(F)F)C1 ZINC000014733447 524230979 /nfs/dbraw/zinc/23/09/79/524230979.db2.gz XYQJSNXSDLZNRN-MRXNPFEDSA-N 1 1 461.532 4.398 50 0 JIAAMO Cc1ccc(CNC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000035456532 524511199 /nfs/dbraw/zinc/51/11/99/524511199.db2.gz ZNXUCQBSNPIUOA-UHFFFAOYSA-N 1 1 496.586 4.233 50 0 JIAAMO Cc1ccc(CNC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000035456532 524511203 /nfs/dbraw/zinc/51/12/03/524511203.db2.gz ZNXUCQBSNPIUOA-UHFFFAOYSA-N 1 1 496.586 4.233 50 0 JIAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c4ncccc4nc3-c3ccncc3)CC2)cc1Cl ZINC000033139771 525132941 /nfs/dbraw/zinc/13/29/41/525132941.db2.gz QQXFXRGCPYZTSK-UHFFFAOYSA-N 1 1 475.984 4.305 50 0 JIAAMO Cc1ccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)c3)s2)cc1 ZINC000033027876 525449285 /nfs/dbraw/zinc/44/92/85/525449285.db2.gz ATFYEHCDNRCSJL-LJQANCHMSA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)CC3)[nH]c2c1 ZINC000033070798 526251957 /nfs/dbraw/zinc/25/19/57/526251957.db2.gz AXLAOUCQNMZYFO-UHFFFAOYSA-N 1 1 495.071 4.070 50 0 JIAAMO O=C(C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000044443549 526305244 /nfs/dbraw/zinc/30/52/44/526305244.db2.gz IBWKVOHBWHSWMP-UHFFFAOYSA-N 1 1 472.420 4.431 50 0 JIAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014743900 526425039 /nfs/dbraw/zinc/42/50/39/526425039.db2.gz ZGBLSTKGZQUBIS-BJKOFHAPSA-N 1 1 462.565 4.407 50 0 JIAAMO Cc1sc2[nH]c(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000022788903 526894209 /nfs/dbraw/zinc/89/42/09/526894209.db2.gz WBUASYBHEXARAK-QFIPXVFZSA-N 1 1 474.630 4.432 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014747283 527204446 /nfs/dbraw/zinc/20/44/46/527204446.db2.gz ZKAKMKPSKZZIHQ-LEWJYISDSA-N 1 1 479.527 4.064 50 0 JIAAMO O=c1[nH]c(C[N@@H+](C[C@H](O)COc2ccccc2)C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000036159822 527436106 /nfs/dbraw/zinc/43/61/06/527436106.db2.gz LNYXCZSEHXTNER-SFHVURJKSA-N 1 1 453.608 4.048 50 0 JIAAMO O=c1[nH]c(C[N@H+](C[C@H](O)COc2ccccc2)C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000036159822 527436110 /nfs/dbraw/zinc/43/61/10/527436110.db2.gz LNYXCZSEHXTNER-SFHVURJKSA-N 1 1 453.608 4.048 50 0 JIAAMO O=c1nc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000022810672 527437712 /nfs/dbraw/zinc/43/77/12/527437712.db2.gz GTMQQKKFHFBMJB-OAQYLSRUSA-N 1 1 481.021 4.468 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036304948 527549383 /nfs/dbraw/zinc/54/93/83/527549383.db2.gz KVVMXIJDQTVQBZ-SANMLTNESA-N 1 1 490.648 4.187 50 0 JIAAMO O=C(c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002777764 554340402 /nfs/dbraw/zinc/34/04/02/554340402.db2.gz MDMPKJPKACCAGT-QGZVFWFLSA-N 1 1 465.479 4.489 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000006023269 554499807 /nfs/dbraw/zinc/49/98/07/554499807.db2.gz JNDLKPWRJGQUMD-UHFFFAOYSA-N 1 1 498.048 4.432 50 0 JIAAMO COc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c23)cc1 ZINC000008871665 554767400 /nfs/dbraw/zinc/76/74/00/554767400.db2.gz CJJNGCVEGIJBGG-UHFFFAOYSA-N 1 1 460.559 4.418 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CS(=O)(=O)Cc3cccc(Cl)c3)o2)C1 ZINC000008877255 554772489 /nfs/dbraw/zinc/77/24/89/554772489.db2.gz HGOYNGIBEAYOMX-HDICACEKSA-N 1 1 467.031 4.146 50 0 JIAAMO Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000008913547 554806060 /nfs/dbraw/zinc/80/60/60/554806060.db2.gz BTKTUNZGMBERMV-UHFFFAOYSA-N 1 1 471.630 4.468 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)C(=O)c2ccccc2)cc1 ZINC000009097012 554895840 /nfs/dbraw/zinc/89/58/40/554895840.db2.gz MPZWZQXPEIPROY-BDYUSTAISA-N 1 1 469.585 4.485 50 0 JIAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+](Cc3ccco3)C3CCCC3)c(=O)c21 ZINC000009153445 554943131 /nfs/dbraw/zinc/94/31/31/554943131.db2.gz DNENRBBIHMHNAH-UHFFFAOYSA-N 1 1 489.620 4.305 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227849 555000956 /nfs/dbraw/zinc/00/09/56/555000956.db2.gz MREQFXUVASCXOE-JOCHJYFZSA-N 1 1 481.641 4.201 50 0 JIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000009256406 555032911 /nfs/dbraw/zinc/03/29/11/555032911.db2.gz SJHOQPWBQNJLEZ-UHFFFAOYSA-N 1 1 493.724 4.159 50 0 JIAAMO COc1cc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009293572 555069256 /nfs/dbraw/zinc/06/92/56/555069256.db2.gz ZAEMLTMWNQZYSP-RPBOFIJWSA-N 1 1 483.528 4.220 50 0 JIAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000009432399 555201553 /nfs/dbraw/zinc/20/15/53/555201553.db2.gz ZJAIYEBJKKQQCR-LOSJGSFVSA-N 1 1 459.615 4.223 50 0 JIAAMO CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000009707928 555431689 /nfs/dbraw/zinc/43/16/89/555431689.db2.gz NNTKDLGXGXYPOD-UHFFFAOYSA-N 1 1 459.637 4.251 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1cccc(S(=O)(=O)CC)c1)c1nc2ccc(OC)cc2s1 ZINC000009707933 555431708 /nfs/dbraw/zinc/43/17/08/555431708.db2.gz UDFLRZFTRNQTEL-UHFFFAOYSA-N 1 1 475.636 4.087 50 0 JIAAMO COc1ccc(/C=C(\NC(C)=O)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019929097 555545465 /nfs/dbraw/zinc/54/54/65/555545465.db2.gz AGSDUSOMXQFGHS-QOMWVZHYSA-N 1 1 499.611 4.115 50 0 JIAAMO Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000019991272 555576542 /nfs/dbraw/zinc/57/65/42/555576542.db2.gz QGCCYVJREXGNSM-LJAQVGFWSA-N 1 1 478.596 4.463 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)C[C@H]2C)c1 ZINC000013786489 555619123 /nfs/dbraw/zinc/61/91/23/555619123.db2.gz GYCGXKPXQXKBQG-GOSISDBHSA-N 1 1 485.991 4.092 50 0 JIAAMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000014116459 555692113 /nfs/dbraw/zinc/69/21/13/555692113.db2.gz LVSOFSPXYZTEFJ-KXBFYZLASA-N 1 1 473.645 4.242 50 0 JIAAMO Cc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014153238 555709037 /nfs/dbraw/zinc/70/90/37/555709037.db2.gz BSUYKSOFGYXTAP-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 JIAAMO CCc1cc([C@@H](c2cccc(F)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218747 555712492 /nfs/dbraw/zinc/71/24/92/555712492.db2.gz ZMPMBLFBCHYUHG-XMMPIXPASA-N 1 1 467.610 4.401 50 0 JIAAMO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000020356091 555785506 /nfs/dbraw/zinc/78/55/06/555785506.db2.gz ALQUVBCLSZNFTC-UHFFFAOYSA-N 1 1 459.590 4.293 50 0 JIAAMO Cc1cnc(-n2ncc(C(=O)NCC[C@@H]3CCC[N@H+]3C)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000011788361 555822562 /nfs/dbraw/zinc/82/25/62/555822562.db2.gz NSMAIYLIIXPYCM-FQEVSTJZSA-N 1 1 450.562 4.114 50 0 JIAAMO Cc1cc(=O)oc2cc(OCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc12 ZINC000020573158 555824922 /nfs/dbraw/zinc/82/49/22/555824922.db2.gz CQYUZVRRNFAMSY-UHFFFAOYSA-N 1 1 468.553 4.414 50 0 biogenic JIAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)CCc2ccc3c(c2)OCO3)Cc2ccccc2O1 ZINC000020599381 555840895 /nfs/dbraw/zinc/84/08/95/555840895.db2.gz ZZXGEZNOORXVMT-MHZLTWQESA-N 1 1 474.557 4.109 50 0 JIAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)CCc2ccc3c(c2)OCO3)Cc2ccccc2O1 ZINC000020599381 555840898 /nfs/dbraw/zinc/84/08/98/555840898.db2.gz ZZXGEZNOORXVMT-MHZLTWQESA-N 1 1 474.557 4.109 50 0 JIAAMO O=C(Cc1ccccc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020601188 555842141 /nfs/dbraw/zinc/84/21/41/555842141.db2.gz OVRPKOBAUUQYAV-GDLZYMKVSA-N 1 1 498.671 4.260 50 0 JIAAMO OC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CN(Cc1cccn1-c1ccc(Cl)cn1)CCO2 ZINC000011881812 555850236 /nfs/dbraw/zinc/85/02/36/555850236.db2.gz WEJNKRFBAPXTHA-XMMPIXPASA-N 1 1 467.013 4.267 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cccnc3)[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000015008303 555852485 /nfs/dbraw/zinc/85/24/85/555852485.db2.gz XRLSNBBKYAICGA-RPWUZVMVSA-N 1 1 451.567 4.281 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cccnc3)[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000015008303 555852489 /nfs/dbraw/zinc/85/24/89/555852489.db2.gz XRLSNBBKYAICGA-RPWUZVMVSA-N 1 1 451.567 4.281 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[N@@H+]2CC[C@@H](c4ccccc4)C2)C3=O)cc1 ZINC000015023800 555864721 /nfs/dbraw/zinc/86/47/21/555864721.db2.gz DYZWNUHQTLDFJS-LYZGTLIUSA-N 1 1 485.609 4.422 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[N@H+]2CC[C@@H](c4ccccc4)C2)C3=O)cc1 ZINC000015023800 555864725 /nfs/dbraw/zinc/86/47/25/555864725.db2.gz DYZWNUHQTLDFJS-LYZGTLIUSA-N 1 1 485.609 4.422 50 0 JIAAMO C[N@@H+](Cc1ccc(OC[C@@H]2CCCN(C(=O)Cn3cncn3)C2)cc1)Cc1cccc2ccccc21 ZINC000015068959 555868647 /nfs/dbraw/zinc/86/86/47/555868647.db2.gz YIDYZQVZCRJIOH-XMMPIXPASA-N 1 1 483.616 4.381 50 0 JIAAMO CSc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000012122602 555909595 /nfs/dbraw/zinc/90/95/95/555909595.db2.gz GLPFOBMLPMWBSH-HXUWFJFHSA-N 1 1 453.612 4.169 50 0 JIAAMO COc1cc(C)c(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)cc1C ZINC000012151024 555923409 /nfs/dbraw/zinc/92/34/09/555923409.db2.gz LWFADRCNZJZGCN-UGKGYDQZSA-N 1 1 452.624 4.448 50 0 JIAAMO CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000012342332 555954903 /nfs/dbraw/zinc/95/49/03/555954903.db2.gz ISUKCYJPZBVEQK-UHFFFAOYSA-N 1 1 475.636 4.087 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726171 555963400 /nfs/dbraw/zinc/96/34/00/555963400.db2.gz FZDITTSCSFGSCB-MRXNPFEDSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)n2)cc1OC ZINC000015726171 555963402 /nfs/dbraw/zinc/96/34/02/555963402.db2.gz FZDITTSCSFGSCB-MRXNPFEDSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)n2)cc1OC ZINC000015726240 555964055 /nfs/dbraw/zinc/96/40/55/555964055.db2.gz FDIAASSFWLULAF-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)n2)cc1OC ZINC000015726240 555964059 /nfs/dbraw/zinc/96/40/59/555964059.db2.gz FDIAASSFWLULAF-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)c1C ZINC000022930813 555983766 /nfs/dbraw/zinc/98/37/66/555983766.db2.gz OKOHWSUJNOJRJK-UHFFFAOYSA-N 1 1 463.409 4.195 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(N2CCc3ccccc32)s1 ZINC000022937340 555990276 /nfs/dbraw/zinc/99/02/76/555990276.db2.gz BKOWTCCVIGDMEJ-UHFFFAOYSA-N 1 1 460.647 4.380 50 0 JIAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000023129095 556018522 /nfs/dbraw/zinc/01/85/22/556018522.db2.gz MTSXHBVVRJOOHV-OAQYLSRUSA-N 1 1 486.016 4.100 50 0 JIAAMO C[C@@H](CNC(=O)c1cccc(Cl)c1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000023192408 556030145 /nfs/dbraw/zinc/03/01/45/556030145.db2.gz JBVJNZMMPWAAGV-NRFANRHFSA-N 1 1 479.024 4.250 50 0 JIAAMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CO[C@H](c3ccccc3)c3ccccc3C)CC2)cc1 ZINC000023389332 556051429 /nfs/dbraw/zinc/05/14/29/556051429.db2.gz RRILBAJUSDBCJQ-XRKRLSELSA-N 1 1 458.602 4.487 50 0 JIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012569214 556071404 /nfs/dbraw/zinc/07/14/04/556071404.db2.gz GHKOFNWCUNROIC-DEOSSOPVSA-N 1 1 487.622 4.380 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000193 556104613 /nfs/dbraw/zinc/10/46/13/556104613.db2.gz UOMKNIOOXOCHDJ-YDLHNXBPSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000193 556104616 /nfs/dbraw/zinc/10/46/16/556104616.db2.gz UOMKNIOOXOCHDJ-YDLHNXBPSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000266 556104963 /nfs/dbraw/zinc/10/49/63/556104963.db2.gz SNKLAHRIDVWWMW-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000930 556105667 /nfs/dbraw/zinc/10/56/67/556105667.db2.gz LFTONDLZUNVIIA-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009844 556108644 /nfs/dbraw/zinc/10/86/44/556108644.db2.gz ZRHLKICJDXMAIH-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009844 556108647 /nfs/dbraw/zinc/10/86/47/556108647.db2.gz ZRHLKICJDXMAIH-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012471 556111390 /nfs/dbraw/zinc/11/13/90/556111390.db2.gz PHNKIEJBFCVDLE-PCQCASEHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012471 556111392 /nfs/dbraw/zinc/11/13/92/556111392.db2.gz PHNKIEJBFCVDLE-PCQCASEHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c(=O)n1Cc1ccccn1 ZINC000024023039 556116489 /nfs/dbraw/zinc/11/64/89/556116489.db2.gz WOGDTJPGLRBCCQ-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000024023094 556117012 /nfs/dbraw/zinc/11/70/12/556117012.db2.gz LMNUUYBUYSLUCD-RUZDIDTESA-N 1 1 496.007 4.324 50 0 JIAAMO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000024926227 556164080 /nfs/dbraw/zinc/16/40/80/556164080.db2.gz VYQUSBDMTYNEQH-KRWDZBQOSA-N 1 1 459.390 4.444 50 0 JIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000024926227 556164083 /nfs/dbraw/zinc/16/40/83/556164083.db2.gz VYQUSBDMTYNEQH-KRWDZBQOSA-N 1 1 459.390 4.444 50 0 JIAAMO COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000016891221 556172572 /nfs/dbraw/zinc/17/25/72/556172572.db2.gz YFNWSCBRLHJMDS-UQBPGWFLSA-N 1 1 495.645 4.456 50 0 JIAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012981941 556175193 /nfs/dbraw/zinc/17/51/93/556175193.db2.gz ROLXXJNXDVSTAO-ZIAGYGMSSA-N 1 1 454.621 4.152 50 0 JIAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012981941 556175198 /nfs/dbraw/zinc/17/51/98/556175198.db2.gz ROLXXJNXDVSTAO-ZIAGYGMSSA-N 1 1 454.621 4.152 50 0 JIAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000013055863 556250457 /nfs/dbraw/zinc/25/04/57/556250457.db2.gz FJGQWFDTTKUSQT-SFHVURJKSA-N 1 1 450.608 4.270 50 0 JIAAMO COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000019358570 556344978 /nfs/dbraw/zinc/34/49/78/556344978.db2.gz YLRFJLXWGXUISZ-IBGZPJMESA-N 1 1 491.654 4.359 50 0 JIAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4C)cc2)CC3)c(C)o1 ZINC000019781751 556369602 /nfs/dbraw/zinc/36/96/02/556369602.db2.gz IRZSIXOXEYHXJN-UHFFFAOYSA-N 1 1 469.589 4.452 50 0 JIAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)CCOc1ccccc1F ZINC000032797425 556496556 /nfs/dbraw/zinc/49/65/56/556496556.db2.gz FZRZQQZZRFCWAP-MRXNPFEDSA-N 1 1 469.479 4.019 50 0 JIAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)CCOc1ccccc1F ZINC000032797425 556496559 /nfs/dbraw/zinc/49/65/59/556496559.db2.gz FZRZQQZZRFCWAP-MRXNPFEDSA-N 1 1 469.479 4.019 50 0 JIAAMO COc1ccc(CC(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c(OC)c1OC ZINC000032912914 556537236 /nfs/dbraw/zinc/53/72/36/556537236.db2.gz NHSDNBUAHAIIEN-UHFFFAOYSA-N 1 1 489.616 4.211 50 0 JIAAMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000040953486 563160249 /nfs/dbraw/zinc/16/02/49/563160249.db2.gz JSVNNLRZCJAYTQ-ORYQWCPZSA-N 1 1 497.437 4.037 50 0 in-vitro JIAAMO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccsc3)ccc2c1NC(=O)c1cc(C)nn1C ZINC000055132122 569590894 /nfs/dbraw/zinc/59/08/94/569590894.db2.gz VUEXKXMQHCTIED-UHFFFAOYSA-N 1 1 469.592 4.071 50 0 JIAAMO COC(=O)c1sc2nc(C[N@@H+](C)Cc3ccsc3)ccc2c1NC(=O)c1cc(C)nn1C ZINC000055132122 569590895 /nfs/dbraw/zinc/59/08/95/569590895.db2.gz VUEXKXMQHCTIED-UHFFFAOYSA-N 1 1 469.592 4.071 50 0 JIAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055243497 569591190 /nfs/dbraw/zinc/59/11/90/569591190.db2.gz HZRWAXGZZGQGOP-MHZLTWQESA-N 1 1 499.099 4.422 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@H+](C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000055201923 569591240 /nfs/dbraw/zinc/59/12/40/569591240.db2.gz CKKCCESDYTVDKH-SFTDATJTSA-N 1 1 465.527 4.321 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000055201923 569591241 /nfs/dbraw/zinc/59/12/41/569591241.db2.gz CKKCCESDYTVDKH-SFTDATJTSA-N 1 1 465.527 4.321 50 0 JIAAMO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000057270714 569595252 /nfs/dbraw/zinc/59/52/52/569595252.db2.gz VKBZFMIPVZTSBW-RUZDIDTESA-N 1 1 499.658 4.249 50 0 JIAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000061999507 569610001 /nfs/dbraw/zinc/61/00/01/569610001.db2.gz MERVUSSRRGAVCO-XSHKJCDBSA-N 1 1 477.564 4.264 50 0 biogenic JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000061999501 569610013 /nfs/dbraw/zinc/61/00/13/569610013.db2.gz OZCCPRUAIQWUJS-XSHKJCDBSA-N 1 1 477.564 4.318 50 0 biogenic JIAAMO COc1ccc(-c2noc(-c3cccc(OCC(=O)N4CC[NH+](Cc5ccccc5)CC4)c3)n2)cc1 ZINC000033012407 569617595 /nfs/dbraw/zinc/61/75/95/569617595.db2.gz RRMCNRVPIQHVGX-UHFFFAOYSA-N 1 1 484.556 4.135 50 0 JIAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc(OC)c1OC ZINC000033014187 569617936 /nfs/dbraw/zinc/61/79/36/569617936.db2.gz SEMHDXRRAWWSPY-UHFFFAOYSA-N 1 1 452.515 4.264 50 0 JIAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc(OC)c1OC ZINC000033014187 569617937 /nfs/dbraw/zinc/61/79/37/569617937.db2.gz SEMHDXRRAWWSPY-UHFFFAOYSA-N 1 1 452.515 4.264 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 ZINC000033332049 569624650 /nfs/dbraw/zinc/62/46/50/569624650.db2.gz DKZJNAFVPUYCRH-GOSISDBHSA-N 1 1 487.442 4.178 50 0 JIAAMO C[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023168 569649702 /nfs/dbraw/zinc/64/97/02/569649702.db2.gz BZTYJNDINKLNDC-HSZRJFAPSA-N 1 1 461.585 4.137 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023519 569649818 /nfs/dbraw/zinc/64/98/18/569649818.db2.gz APWQGZLYVVIUDV-QHCPKHFHSA-N 1 1 461.585 4.137 50 0 JIAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1)Cc1ccccc1 ZINC000065023702 569649963 /nfs/dbraw/zinc/64/99/63/569649963.db2.gz LYGKEMUIJQKWFX-RUZDIDTESA-N 1 1 457.622 4.388 50 0 JIAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000034708050 569650342 /nfs/dbraw/zinc/65/03/42/569650342.db2.gz VTELYDCFPMQIBQ-DWACAAAGSA-N 1 1 492.616 4.477 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000034787698 569659803 /nfs/dbraw/zinc/65/98/03/569659803.db2.gz ROYVEBPLQHTSNH-DEOSSOPVSA-N 1 1 465.644 4.050 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000034787698 569659804 /nfs/dbraw/zinc/65/98/04/569659804.db2.gz ROYVEBPLQHTSNH-DEOSSOPVSA-N 1 1 465.644 4.050 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034787701 569659824 /nfs/dbraw/zinc/65/98/24/569659824.db2.gz MGEJPDOAGOUSFL-RUZDIDTESA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034787701 569659825 /nfs/dbraw/zinc/65/98/25/569659825.db2.gz MGEJPDOAGOUSFL-RUZDIDTESA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C(C)C)[C@H](C)C1 ZINC000034830260 569663810 /nfs/dbraw/zinc/66/38/10/569663810.db2.gz BBOJLIACUXBVRX-CJFMBICVSA-N 1 1 453.652 4.109 50 0 JIAAMO O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000078718315 569706345 /nfs/dbraw/zinc/70/63/45/569706345.db2.gz XJPMVHOTUMRTPO-QGZVFWFLSA-N 1 1 491.057 4.379 50 0 JIAAMO O=C(C[N@H+](Cc1cccc(O)c1)C1CCC(O)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000078724180 569706545 /nfs/dbraw/zinc/70/65/45/569706545.db2.gz NDICLOHCWWBUQZ-UHFFFAOYSA-N 1 1 455.555 4.399 50 0 JIAAMO O=C(C[N@@H+](Cc1cccc(O)c1)C1CCC(O)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000078724180 569706546 /nfs/dbraw/zinc/70/65/46/569706546.db2.gz NDICLOHCWWBUQZ-UHFFFAOYSA-N 1 1 455.555 4.399 50 0 JIAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000035807384 569711600 /nfs/dbraw/zinc/71/16/00/569711600.db2.gz MERVUSSRRGAVCO-SMVSGJMUSA-N 1 1 477.564 4.264 50 0 JIAAMO CC[N@@H+](CCNC(=O)C1CCN(c2ccnc(-c3ccc(C)cc3)n2)CC1)Cc1ccccc1 ZINC000085649272 569712403 /nfs/dbraw/zinc/71/24/03/569712403.db2.gz LTVRSIHKUBYZII-UHFFFAOYSA-N 1 1 457.622 4.307 50 0 JIAAMO COCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844878 569715660 /nfs/dbraw/zinc/71/56/60/569715660.db2.gz JWWYVWQKZCTIHZ-UHFFFAOYSA-N 1 1 492.616 4.485 50 0 JIAAMO COCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844878 569715662 /nfs/dbraw/zinc/71/56/62/569715662.db2.gz JWWYVWQKZCTIHZ-UHFFFAOYSA-N 1 1 492.616 4.485 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851641 569716434 /nfs/dbraw/zinc/71/64/34/569716434.db2.gz ZRHLKICJDXMAIH-ZHSNQQFMSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851641 569716435 /nfs/dbraw/zinc/71/64/35/569716435.db2.gz ZRHLKICJDXMAIH-ZHSNQQFMSA-N 1 1 489.881 4.098 50 0 JIAAMO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095348742 569722389 /nfs/dbraw/zinc/72/23/89/569722389.db2.gz YJQJGKMTTCOVPE-SLLRVGBYSA-N 1 1 488.676 4.236 50 0 JIAAMO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035908045 569723649 /nfs/dbraw/zinc/72/36/49/569723649.db2.gz JAHKQZFOCBYNFL-FIXSFTCYSA-N 1 1 491.529 4.003 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000035911156 569726421 /nfs/dbraw/zinc/72/64/21/569726421.db2.gz UBYONQYODIYKGW-AOYPEHQESA-N 1 1 479.621 4.118 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccco4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545219 569727000 /nfs/dbraw/zinc/72/70/00/569727000.db2.gz CKDOOQZRNRWGLL-UHFFFAOYSA-N 1 1 474.536 4.452 50 0 JIAAMO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036250262 569758132 /nfs/dbraw/zinc/75/81/32/569758132.db2.gz QLDRMUYVKHWLRN-GCJKJVERSA-N 1 1 476.459 4.167 50 0 JIAAMO CC1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000036250448 569758368 /nfs/dbraw/zinc/75/83/68/569758368.db2.gz WNFYFLOWLLZVFY-JOCHJYFZSA-N 1 1 476.459 4.024 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000036301483 569759082 /nfs/dbraw/zinc/75/90/82/569759082.db2.gz FWOQXIRKZHFLRL-JOCHJYFZSA-N 1 1 453.583 4.114 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC1 ZINC000036312248 569760148 /nfs/dbraw/zinc/76/01/48/569760148.db2.gz LZLHZKNQMBWYDM-OAQYLSRUSA-N 1 1 496.558 4.193 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340957 569764117 /nfs/dbraw/zinc/76/41/17/569764117.db2.gz IPXGZJKTVJVGMS-MBSDFSHPSA-N 1 1 471.960 4.432 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340957 569764119 /nfs/dbraw/zinc/76/41/19/569764119.db2.gz IPXGZJKTVJVGMS-MBSDFSHPSA-N 1 1 471.960 4.432 50 0 JIAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000036344314 569766832 /nfs/dbraw/zinc/76/68/32/569766832.db2.gz VWGKVMZFINSQAS-HHHXNRCGSA-N 1 1 468.601 4.191 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)cc1 ZINC000036344905 569767381 /nfs/dbraw/zinc/76/73/81/569767381.db2.gz BDTAHIJPHDNRBO-LJAQVGFWSA-N 1 1 482.628 4.499 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346632 569770348 /nfs/dbraw/zinc/77/03/48/569770348.db2.gz SNXRICOJPMLWKJ-QFIPXVFZSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346632 569770349 /nfs/dbraw/zinc/77/03/49/569770349.db2.gz SNXRICOJPMLWKJ-QFIPXVFZSA-N 1 1 475.536 4.097 50 0 JIAAMO O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000036596980 569777349 /nfs/dbraw/zinc/77/73/49/569777349.db2.gz ZOWWSJBODALNSB-RUZDIDTESA-N 1 1 482.584 4.101 50 0 JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000037242770 569781752 /nfs/dbraw/zinc/78/17/52/569781752.db2.gz UCEGJTAQUBKYER-PSUQPPDWSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)cc(OC)c1OC ZINC000037242770 569781754 /nfs/dbraw/zinc/78/17/54/569781754.db2.gz UCEGJTAQUBKYER-PSUQPPDWSA-N 1 1 454.567 4.019 50 0 biogenic JIAAMO CC(C)CNC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037384149 569785498 /nfs/dbraw/zinc/78/54/98/569785498.db2.gz OQPXCVKXUIVRNX-UHFFFAOYSA-N 1 1 493.627 4.127 50 0 JIAAMO COc1cc(OC)c(NC(=O)C[NH+]2CCC(Cn3c(C)nc4ccccc43)CC2)cc1Cl ZINC000038535716 569802446 /nfs/dbraw/zinc/80/24/46/569802446.db2.gz WMZXOKIQROGRSF-UHFFFAOYSA-N 1 1 456.974 4.366 50 0 JIAAMO NC(=O)c1ccc(C[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C2CC2)cc1 ZINC000040059792 569815234 /nfs/dbraw/zinc/81/52/34/569815234.db2.gz IIGZUDXOXKYIOD-HSZRJFAPSA-N 1 1 451.617 4.047 50 0 JIAAMO NC(=O)c1ccc(C[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C2CC2)cc1 ZINC000040059792 569815235 /nfs/dbraw/zinc/81/52/35/569815235.db2.gz IIGZUDXOXKYIOD-HSZRJFAPSA-N 1 1 451.617 4.047 50 0 JIAAMO Cc1nc(COc2ccc(C(=O)Nc3ccc(CCN4CC[NH+](C)CC4)cc3)cc2)cs1 ZINC000040157759 569821915 /nfs/dbraw/zinc/82/19/15/569821915.db2.gz KPJUCDRODPGHDP-UHFFFAOYSA-N 1 1 450.608 4.073 50 0 JIAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC(C)C)cc1OC ZINC000046032384 569842996 /nfs/dbraw/zinc/84/29/96/569842996.db2.gz ZZNZTBZFEUDEIV-UHFFFAOYSA-N 1 1 464.591 4.493 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000105002766 569849146 /nfs/dbraw/zinc/84/91/46/569849146.db2.gz LOQWVRAYKCYJDD-XUZZJYLKSA-N 1 1 474.667 4.059 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000105004029 569849674 /nfs/dbraw/zinc/84/96/74/569849674.db2.gz MSJYLCORJXSVBF-XUZZJYLKSA-N 1 1 488.694 4.449 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COC(C)(C)C ZINC000105004917 569849888 /nfs/dbraw/zinc/84/98/88/569849888.db2.gz XWJZIMQTDBEEQJ-RBBKRZOGSA-N 1 1 474.667 4.059 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2OC)C1 ZINC000105012273 569851201 /nfs/dbraw/zinc/85/12/01/569851201.db2.gz QVJIFSXSVWTPLS-PXDATVDWSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2OC)C1 ZINC000105012273 569851202 /nfs/dbraw/zinc/85/12/02/569851202.db2.gz QVJIFSXSVWTPLS-PXDATVDWSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105012147 569851260 /nfs/dbraw/zinc/85/12/60/569851260.db2.gz LRSRLCFDJUBFBQ-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105012147 569851261 /nfs/dbraw/zinc/85/12/61/569851261.db2.gz LRSRLCFDJUBFBQ-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000169677127 569868433 /nfs/dbraw/zinc/86/84/33/569868433.db2.gz PIDGJQBVZXRASR-ISKFKSNPSA-N 1 1 461.002 4.377 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](CCc4ccccc4)C[C@@H]23)cc1OC ZINC000169678513 569869196 /nfs/dbraw/zinc/86/91/96/569869196.db2.gz DBXWCYGZMPBZQJ-RSXGOPAZSA-N 1 1 471.601 4.248 50 0 JIAAMO COc1ccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)cc1OC ZINC000169678947 569869421 /nfs/dbraw/zinc/86/94/21/569869421.db2.gz GNQYFLBKTXAFGZ-AHWVRZQESA-N 1 1 487.600 4.084 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)(C)C)C2CC2)c1 ZINC000169679455 569869795 /nfs/dbraw/zinc/86/97/95/569869795.db2.gz BVAUONZMURLACZ-ZJSXRUAMSA-N 1 1 486.678 4.202 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680387 569870473 /nfs/dbraw/zinc/87/04/73/569870473.db2.gz YHWFKWAOHDMXND-NFBKMPQASA-N 1 1 492.657 4.280 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)CC(C)C)[C@@H](C)C1 ZINC000169680767 569870646 /nfs/dbraw/zinc/87/06/46/569870646.db2.gz NJAWSBSUFJETEB-KDYSTLNUSA-N 1 1 467.679 4.500 50 0 JIAAMO O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681807 569870786 /nfs/dbraw/zinc/87/07/86/569870786.db2.gz ALJSKGSQXGYHJU-GGAORHGYSA-N 1 1 461.503 4.234 50 0 JIAAMO COc1ccc(/C=C\C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)c2)cc1 ZINC000211017431 569876104 /nfs/dbraw/zinc/87/61/04/569876104.db2.gz GFLMDYKICCVBPZ-KVOGHMLTSA-N 1 1 475.570 4.218 50 0 JIAAMO COc1ccc(/C=C\C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)c2)cc1 ZINC000211017431 569876105 /nfs/dbraw/zinc/87/61/05/569876105.db2.gz GFLMDYKICCVBPZ-KVOGHMLTSA-N 1 1 475.570 4.218 50 0 JIAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)/C=C\c1ccc(OCc2csc(C)n2)cc1 ZINC000229671938 570041004 /nfs/dbraw/zinc/04/10/04/570041004.db2.gz BXSIMFAFTDQNNK-OCUNKTDNSA-N 1 1 485.650 4.310 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)[C@H](C)C(C)(C)O ZINC000245326940 570064859 /nfs/dbraw/zinc/06/48/59/570064859.db2.gz HGWLTWCWVLWPHR-XMSQKQJNSA-N 1 1 460.640 4.133 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245329237 570066201 /nfs/dbraw/zinc/06/62/01/570066201.db2.gz YPJRDMQHTFIOQP-DWKCODDLSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245329237 570066202 /nfs/dbraw/zinc/06/62/02/570066202.db2.gz YPJRDMQHTFIOQP-DWKCODDLSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000247865281 570070210 /nfs/dbraw/zinc/07/02/10/570070210.db2.gz IOWYQQPKKPAEHG-ZBAMRAGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000247865281 570070211 /nfs/dbraw/zinc/07/02/11/570070211.db2.gz IOWYQQPKKPAEHG-ZBAMRAGRSA-N 1 1 470.356 4.041 50 0 JIAAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000247942027 570071357 /nfs/dbraw/zinc/07/13/57/570071357.db2.gz QAXIKXPTPBMDTE-DFCKQENNSA-N 1 1 496.051 4.262 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000248012522 570072743 /nfs/dbraw/zinc/07/27/43/570072743.db2.gz RNIKUFXIFQMKCP-HXUWFJFHSA-N 1 1 481.591 4.456 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248024701 570072850 /nfs/dbraw/zinc/07/28/50/570072850.db2.gz KTWUIJKHBSQYSS-SFHVURJKSA-N 1 1 486.447 4.441 50 0 JIAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000249688227 570078522 /nfs/dbraw/zinc/07/85/22/570078522.db2.gz IBSHULWTIGGDTQ-FQEVSTJZSA-N 1 1 466.029 4.270 50 0 JIAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000249685972 570078537 /nfs/dbraw/zinc/07/85/37/570078537.db2.gz GGMFHQWWKICIQH-UHFFFAOYSA-N 1 1 466.029 4.270 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4ccc(C)cc4C)CC3)C2)nc2ccccc21 ZINC000249684162 570078542 /nfs/dbraw/zinc/07/85/42/570078542.db2.gz DLPHJISRTWVAEG-QHCPKHFHSA-N 1 1 459.638 4.234 50 0 JIAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000249696547 570078774 /nfs/dbraw/zinc/07/87/74/570078774.db2.gz SUXWEQMVCIRCQM-UHFFFAOYSA-N 1 1 466.029 4.270 50 0 JIAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000249700675 570078830 /nfs/dbraw/zinc/07/88/30/570078830.db2.gz XTEMPDFMPRQZLZ-FQEVSTJZSA-N 1 1 466.029 4.270 50 0 JIAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000252000511 570079642 /nfs/dbraw/zinc/07/96/42/570079642.db2.gz MERVUSSRRGAVCO-IPMXHECSSA-N 1 1 477.564 4.264 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252517921 570082923 /nfs/dbraw/zinc/08/29/23/570082923.db2.gz VCYCGVRFGVUJDQ-KEXUJGGDSA-N 1 1 489.881 4.098 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000253388969 570095641 /nfs/dbraw/zinc/09/56/41/570095641.db2.gz IINYFWUSOHKGKV-RXFWQSSRSA-N 1 1 480.678 4.271 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000253388969 570095642 /nfs/dbraw/zinc/09/56/42/570095642.db2.gz IINYFWUSOHKGKV-RXFWQSSRSA-N 1 1 480.678 4.271 50 0 JIAAMO CSc1ccc2cc(C[N@H+]3CCC[C@H](C(N)=O)C3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2c1 ZINC000299792259 570177045 /nfs/dbraw/zinc/17/70/45/570177045.db2.gz DKQYFHXIALCHGI-SFHVURJKSA-N 1 1 489.563 4.488 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000003056926 194221253 /nfs/dbraw/zinc/22/12/53/194221253.db2.gz GYLXUUWBDJIPCM-UHFFFAOYSA-N 1 1 475.010 4.300 50 0 JIAAMO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)c1C ZINC000009919585 195023460 /nfs/dbraw/zinc/02/34/60/195023460.db2.gz CPNCDENXTGXXNX-UHFFFAOYSA-N 1 1 465.619 4.356 50 0 JIAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)[NH+](C)C ZINC000012631112 195063122 /nfs/dbraw/zinc/06/31/22/195063122.db2.gz TZWVDNBWHBQPMN-QHCPKHFHSA-N 1 1 481.618 4.146 50 0 JIAAMO CCc1nn(CC(=O)NCC[N@H+]([C@H](C)CC)C2CCCCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000020862594 195234030 /nfs/dbraw/zinc/23/40/30/195234030.db2.gz DDSKXAOGTZZJSO-QGZVFWFLSA-N 1 1 471.671 4.131 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)cc2)CC1 ZINC000020991863 195262173 /nfs/dbraw/zinc/26/21/73/195262173.db2.gz XEBJNMZRSFPOSF-UHFFFAOYSA-N 1 1 490.677 4.198 50 0 JIAAMO Cc1ccc2c(CC(=O)NCC[N@H+]3Cc4ccccc4O[C@@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000020997610 195264786 /nfs/dbraw/zinc/26/47/86/195264786.db2.gz QDBLRZUWHYXRDQ-RUZDIDTESA-N 1 1 474.582 4.458 50 0 JIAAMO Cc1ccc2c(CC(=O)NCC[N@@H+]3Cc4ccccc4O[C@@H](c4ccsc4)C3)cc(=O)oc2c1 ZINC000020997610 195264787 /nfs/dbraw/zinc/26/47/87/195264787.db2.gz QDBLRZUWHYXRDQ-RUZDIDTESA-N 1 1 474.582 4.458 50 0 JIAAMO O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021530360 195308670 /nfs/dbraw/zinc/30/86/70/195308670.db2.gz GSVNIWZEAICPEQ-AREMUKBSSA-N 1 1 457.549 4.257 50 0 JIAAMO COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795618 195322491 /nfs/dbraw/zinc/32/24/91/195322491.db2.gz CNJGQBLDAXYOLZ-UHFFFAOYSA-N 1 1 464.526 4.026 50 0 JIAAMO Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@@H](C[N@H+]4CCc5ccccc5C4)C3)c2)on1 ZINC000021887434 195325237 /nfs/dbraw/zinc/32/52/37/195325237.db2.gz AJXVKMAWMIZTFY-NRFANRHFSA-N 1 1 465.619 4.417 50 0 JIAAMO O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057486742 195344540 /nfs/dbraw/zinc/34/45/40/195344540.db2.gz XCBSMTHQMHFJGI-UHFFFAOYSA-N 1 1 461.953 4.203 50 0 JIAAMO O=C(CN1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027769 195363146 /nfs/dbraw/zinc/36/31/46/195363146.db2.gz YJRMUQWVGCWAGH-IAPPQJPRSA-N 1 1 488.676 4.240 50 0 JIAAMO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000058085836 195364532 /nfs/dbraw/zinc/36/45/32/195364532.db2.gz HTDOEWUNEUJYTI-FGZHOGPDSA-N 1 1 468.450 4.405 50 0 JIAAMO CCOc1ccccc1-c1noc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCN(C(C)=O)CC2)n1 ZINC000058162749 195369448 /nfs/dbraw/zinc/36/94/48/195369448.db2.gz IWQVGOZNSVIENZ-UHFFFAOYSA-N 1 1 476.577 4.083 50 0 JIAAMO CCOc1ccccc1-c1noc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCN(C(C)=O)CC2)n1 ZINC000058162749 195369451 /nfs/dbraw/zinc/36/94/51/195369451.db2.gz IWQVGOZNSVIENZ-UHFFFAOYSA-N 1 1 476.577 4.083 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000096402892 130079201 /nfs/dbraw/zinc/07/92/01/130079201.db2.gz SWIKMMFFIIJRSK-FVJVTNMWSA-N 1 1 470.356 4.041 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1Br)CC[N@H+](Cc1ccccc1)C2 ZINC000033277356 519868789 /nfs/dbraw/zinc/86/87/89/519868789.db2.gz RUELYWRRQZYIRF-UHFFFAOYSA-N 1 1 495.421 4.326 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1Br)CC[N@@H+](Cc1ccccc1)C2 ZINC000033277356 519868791 /nfs/dbraw/zinc/86/87/91/519868791.db2.gz RUELYWRRQZYIRF-UHFFFAOYSA-N 1 1 495.421 4.326 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036306338 519881383 /nfs/dbraw/zinc/88/13/83/519881383.db2.gz YXTPPNKCVNKEPY-HSZRJFAPSA-N 1 1 495.620 4.340 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308633 520094726 /nfs/dbraw/zinc/09/47/26/520094726.db2.gz FCFRNKZVMGFGJH-ZCYQVOJMSA-N 1 1 465.594 4.351 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308633 520094732 /nfs/dbraw/zinc/09/47/32/520094732.db2.gz FCFRNKZVMGFGJH-ZCYQVOJMSA-N 1 1 465.594 4.351 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036309858 520153270 /nfs/dbraw/zinc/15/32/70/520153270.db2.gz ZXNHOOYOSGDGRG-QPPBQGQZSA-N 1 1 492.657 4.138 50 0 JIAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@@H+](C)CC1CC1 ZINC000048345886 521387301 /nfs/dbraw/zinc/38/73/01/521387301.db2.gz SHHCPMPVCJJRTB-UHFFFAOYSA-N 1 1 457.596 4.383 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065010990 521658621 /nfs/dbraw/zinc/65/86/21/521658621.db2.gz GQZFNIGMPPPPPU-FQEVSTJZSA-N 1 1 475.655 4.137 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(OC(C)C)cnn(-c4ccc(Cl)cc4)c3=O)c2)CC1 ZINC000036070477 521671142 /nfs/dbraw/zinc/67/11/42/521671142.db2.gz BHTGDGVTPKQZJU-UHFFFAOYSA-N 1 1 496.011 4.194 50 0 JIAAMO COc1cc(NC(=O)C2(N(C=O)C[C@H]3CCC[N@H+]4CCCC[C@@H]34)CCCCC2)cc(OC)c1 ZINC000033435678 522647184 /nfs/dbraw/zinc/64/71/84/522647184.db2.gz JLPYNQCQUQSIHQ-YKSBVNFPSA-N 1 1 457.615 4.068 50 0 JIAAMO COc1cc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000021795900 522684603 /nfs/dbraw/zinc/68/46/03/522684603.db2.gz SDVVZFFXZMRHOS-UHFFFAOYSA-N 1 1 462.554 4.208 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131363 523170684 /nfs/dbraw/zinc/17/06/84/523170684.db2.gz CECLSBBWZUNIQO-LJQANCHMSA-N 1 1 470.079 4.289 50 0 JIAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1 ZINC000036312172 523260500 /nfs/dbraw/zinc/26/05/00/523260500.db2.gz ZJSYGCQVPQDWAJ-UHFFFAOYSA-N 1 1 484.547 4.051 50 0 JIAAMO CC[C@H]1C[N@@H+](CCC(=O)N(C)Cc2ccc(OC)c3ncccc23)Cc2cc(OC)ccc2O1 ZINC000012218152 523271556 /nfs/dbraw/zinc/27/15/56/523271556.db2.gz VCZGMJPHZWOYTC-NRFANRHFSA-N 1 1 463.578 4.274 50 0 JIAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@@H+](C)Cc1nc(-c3ccccc3)cs1)C2 ZINC000014745411 523613683 /nfs/dbraw/zinc/61/36/83/523613683.db2.gz RKZXOMPDAVJABS-IBGZPJMESA-N 1 1 481.691 4.205 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036305725 523736153 /nfs/dbraw/zinc/73/61/53/523736153.db2.gz GMROZXURKWBAAC-QFIPXVFZSA-N 1 1 483.609 4.122 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1c1cccs1 ZINC000020508116 523810685 /nfs/dbraw/zinc/81/06/85/523810685.db2.gz LWKMNJOHRZCBPE-IKVMQTKTSA-N 1 1 483.678 4.159 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344722 523877048 /nfs/dbraw/zinc/87/70/48/523877048.db2.gz JGEXUBCEAREPTK-NDEPHWFRSA-N 1 1 486.591 4.330 50 0 JIAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3cccc(Cl)c3)C4=O)CC2)cc1 ZINC000012218739 524033965 /nfs/dbraw/zinc/03/39/65/524033965.db2.gz BPDHKHBZKCXXKA-UHFFFAOYSA-N 1 1 475.976 4.467 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000033114332 524112120 /nfs/dbraw/zinc/11/21/20/524112120.db2.gz XAHUKHZIZCCUBX-QGZVFWFLSA-N 1 1 497.596 4.113 50 0 JIAAMO Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000048361872 524184211 /nfs/dbraw/zinc/18/42/11/524184211.db2.gz QFPVRUHNAQOFGW-FPOVZHCZSA-N 1 1 466.607 4.137 50 0 JIAAMO Cc1ccc(C[N@@H+]2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)cc1 ZINC000014743867 524477497 /nfs/dbraw/zinc/47/74/97/524477497.db2.gz PAKFLSAYQDPCHS-UHFFFAOYSA-N 1 1 457.603 4.185 50 0 JIAAMO Cc1ccc(C[N@H+]2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)cc1 ZINC000014743867 524477507 /nfs/dbraw/zinc/47/75/07/524477507.db2.gz PAKFLSAYQDPCHS-UHFFFAOYSA-N 1 1 457.603 4.185 50 0 JIAAMO COc1ccc(NCc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c(OC)c1 ZINC000021880747 524682129 /nfs/dbraw/zinc/68/21/29/524682129.db2.gz ADORSQRAOSHQRT-UHFFFAOYSA-N 1 1 490.633 4.280 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)(C)C)C2CC2)c1 ZINC000036309478 524766384 /nfs/dbraw/zinc/76/63/84/524766384.db2.gz BVAUONZMURLACZ-URXFXBBRSA-N 1 1 486.678 4.202 50 0 JIAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 ZINC000022799040 524956211 /nfs/dbraw/zinc/95/62/11/524956211.db2.gz IWWLGGCZAXFZKC-MRXNPFEDSA-N 1 1 485.934 4.391 50 0 JIAAMO Cc1cc(N(C)Cc2ccccc2)nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000036038735 525028806 /nfs/dbraw/zinc/02/88/06/525028806.db2.gz QEVOEUOWWZOCCG-UHFFFAOYSA-N 1 1 461.635 4.101 50 0 JIAAMO Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033031716 525317846 /nfs/dbraw/zinc/31/78/46/525317846.db2.gz NBSJQEVFZGJGQZ-IBGZPJMESA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1ccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)c3)s2)cc1 ZINC000033027879 525449020 /nfs/dbraw/zinc/44/90/20/525449020.db2.gz ATFYEHCDNRCSJL-IBGZPJMESA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)s2)cc1 ZINC000033032240 525449974 /nfs/dbraw/zinc/44/99/74/525449974.db2.gz RAQYMFCJHTUHBO-IBGZPJMESA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1c(C(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)sc2ncnc(NCCCc3ccccc3)c12 ZINC000014986798 525567741 /nfs/dbraw/zinc/56/77/41/525567741.db2.gz FLZNFFGZZJVVCA-JOCHJYFZSA-N 1 1 493.677 4.106 50 0 JIAAMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000022800448 525759278 /nfs/dbraw/zinc/75/92/78/525759278.db2.gz KTGFWFYTMDZCNT-JOCHJYFZSA-N 1 1 478.593 4.262 50 0 JIAAMO Cc1ccc(-c2nccc(N3CCC[C@@H](C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)n2)cc1 ZINC000064928990 525833476 /nfs/dbraw/zinc/83/34/76/525833476.db2.gz HXTLSCGBJQVJRY-RUZDIDTESA-N 1 1 455.606 4.013 50 0 JIAAMO Cc1ccc(-n2cc3c(c(C(=O)NCC[N@H+](C)Cc4ccccc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000446 525909967 /nfs/dbraw/zinc/90/99/67/525909967.db2.gz AQNDJTAYKQMGPU-UHFFFAOYSA-N 1 1 471.601 4.163 50 0 JIAAMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 ZINC000033280360 525910819 /nfs/dbraw/zinc/91/08/19/525910819.db2.gz YOJXNHJUHWMXHE-NRFANRHFSA-N 1 1 485.632 4.014 50 0 JIAAMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 ZINC000033280360 525910828 /nfs/dbraw/zinc/91/08/28/525910828.db2.gz YOJXNHJUHWMXHE-NRFANRHFSA-N 1 1 485.632 4.014 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146426 525924181 /nfs/dbraw/zinc/92/41/81/525924181.db2.gz QVBSPQZTLXUGPX-BDYUSTAISA-N 1 1 478.564 4.407 50 0 JIAAMO COc1cccc(CNC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)c1 ZINC000033069235 525968100 /nfs/dbraw/zinc/96/81/00/525968100.db2.gz VAOGUFJHEXVEFV-UHFFFAOYSA-N 1 1 466.969 4.270 50 0 JIAAMO COc1cccc(CNC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)c1 ZINC000033069235 525968110 /nfs/dbraw/zinc/96/81/10/525968110.db2.gz VAOGUFJHEXVEFV-UHFFFAOYSA-N 1 1 466.969 4.270 50 0 JIAAMO Cc1ccc2nc(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)C3)[nH]c2c1 ZINC000033072217 526251795 /nfs/dbraw/zinc/25/17/95/526251795.db2.gz UOSMIPKPVQZDKF-DEOSSOPVSA-N 1 1 488.680 4.033 50 0 JIAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000019823260 526379941 /nfs/dbraw/zinc/37/99/41/526379941.db2.gz ITTBRNSZIMXVBJ-UHFFFAOYSA-N 1 1 496.655 4.049 50 0 JIAAMO O=C1[C@H](Oc2ccc(F)cc2Cl)[C@@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048303963 527116071 /nfs/dbraw/zinc/11/60/71/527116071.db2.gz UCWYFZIKBKMUGN-FGZHOGPDSA-N 1 1 468.903 4.201 50 0 JIAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](CCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)C1 ZINC000008878685 527488258 /nfs/dbraw/zinc/48/82/58/527488258.db2.gz LBKHKEDFEAJSBE-KNQAVFIVSA-N 1 1 454.526 4.120 50 0 biogenic JIAAMO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000008610603 527536566 /nfs/dbraw/zinc/53/65/66/527536566.db2.gz SEPNXIPXTZMOGZ-UHFFFAOYSA-N 1 1 486.595 4.053 50 0 JIAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023236644 527572511 /nfs/dbraw/zinc/57/25/11/527572511.db2.gz PTKIKMRMUQFZMF-UHFFFAOYSA-N 1 1 488.982 4.122 50 0 JIAAMO c1ccc(Cn2c(CNc3nc4ccccc4n3CC[NH+]3CCOCC3)nc3ccccc32)cc1 ZINC000000707705 553764567 /nfs/dbraw/zinc/76/45/67/553764567.db2.gz RASVISOXUJEIQO-UHFFFAOYSA-N 1 1 466.589 4.379 50 0 JIAAMO COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000008832645 554727623 /nfs/dbraw/zinc/72/76/23/554727623.db2.gz UONZXZSAEIKDNC-UHFFFAOYSA-N 1 1 452.780 4.424 50 0 JIAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)Cn2cccc2C(=O)c2ccccc2)CC1 ZINC000008912609 554802914 /nfs/dbraw/zinc/80/29/14/554802914.db2.gz QDNRSGPLMSJRQR-UHFFFAOYSA-N 1 1 479.024 4.009 50 0 JIAAMO CC(C)OCCC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000009268803 555044033 /nfs/dbraw/zinc/04/40/33/555044033.db2.gz HOHBOAIISLDSLW-UHFFFAOYSA-N 1 1 495.589 4.322 50 0 JIAAMO Cc1c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009388378 555149822 /nfs/dbraw/zinc/14/98/22/555149822.db2.gz IYIWUVQZQKTMFB-HXUWFJFHSA-N 1 1 497.599 4.368 50 0 JIAAMO Cc1c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009388378 555149824 /nfs/dbraw/zinc/14/98/24/555149824.db2.gz IYIWUVQZQKTMFB-HXUWFJFHSA-N 1 1 497.599 4.368 50 0 JIAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)c2ccccc2O1 ZINC000009406038 555165584 /nfs/dbraw/zinc/16/55/84/555165584.db2.gz QADGVABRLHXCKK-VWLOTQADSA-N 1 1 490.648 4.061 50 0 JIAAMO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000009408726 555171542 /nfs/dbraw/zinc/17/15/42/555171542.db2.gz DTNXXURHARMYBF-XZOQPEGZSA-N 1 1 462.059 4.369 50 0 JIAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000009634069 555338486 /nfs/dbraw/zinc/33/84/86/555338486.db2.gz JVLWHQIZKMPEBA-QGZVFWFLSA-N 1 1 486.663 4.190 50 0 JIAAMO CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000013145819 555343504 /nfs/dbraw/zinc/34/35/04/555343504.db2.gz ZUZLFTLLNHWFRT-OAQYLSRUSA-N 1 1 486.568 4.169 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000009559268 555353505 /nfs/dbraw/zinc/35/35/05/555353505.db2.gz PRUGRARUEHCLGD-RRPNLBNLSA-N 1 1 493.648 4.169 50 0 JIAAMO O=C(CNC(=O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)Nc1ccc(F)c(F)c1F ZINC000009670839 555388650 /nfs/dbraw/zinc/38/86/50/555388650.db2.gz KVOUXRPWUFKJKT-UHFFFAOYSA-N 1 1 451.464 4.133 50 0 JIAAMO Cc1cc[nH+]c(N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCC(C)CC3)CC2)c1 ZINC000013572572 555511289 /nfs/dbraw/zinc/51/12/89/555511289.db2.gz JAEGADGHYQBBLA-UHFFFAOYSA-N 1 1 476.650 4.010 50 0 JIAAMO CCCNC(=O)[C@@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[C@H](C)CC ZINC000013593360 555528546 /nfs/dbraw/zinc/52/85/46/555528546.db2.gz HQTKJGYITDVCFF-QPPBQGQZSA-N 1 1 450.627 4.044 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214633 555710411 /nfs/dbraw/zinc/71/04/11/555710411.db2.gz CRDPUDAOORRLLK-BKMJKUGQSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214633 555710415 /nfs/dbraw/zinc/71/04/15/555710415.db2.gz CRDPUDAOORRLLK-BKMJKUGQSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214633 555710418 /nfs/dbraw/zinc/71/04/18/555710418.db2.gz CRDPUDAOORRLLK-BKMJKUGQSA-N 1 1 477.605 4.443 50 0 JIAAMO COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014538811 555828249 /nfs/dbraw/zinc/82/82/49/555828249.db2.gz HCDUORYSSHAPNC-BJKOFHAPSA-N 1 1 477.580 4.208 50 0 JIAAMO COc1ccccc1NCc1cccn1-c1nnc(N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000020576326 555830995 /nfs/dbraw/zinc/83/09/95/555830995.db2.gz SAMRDNRGJGPPFC-UHFFFAOYSA-N 1 1 460.607 4.272 50 0 JIAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@H]3CCCC[C@H]3C)CC23CCCCC3)cc1 ZINC000020688032 555847234 /nfs/dbraw/zinc/84/72/34/555847234.db2.gz FQUWDKZMTAUNSB-VWNXMTODSA-N 1 1 470.727 4.385 50 0 JIAAMO COc1ccccc1[C@H]([C@H](O)C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017547 555858690 /nfs/dbraw/zinc/85/86/90/555858690.db2.gz ZBJYRCMMFYEABF-IAPPQJPRSA-N 1 1 455.558 4.284 50 0 JIAAMO CC[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(Br)cc1 ZINC000015043909 555865958 /nfs/dbraw/zinc/86/59/58/555865958.db2.gz SINRWMSVDNPKHG-LJQANCHMSA-N 1 1 474.399 4.073 50 0 JIAAMO O=S1(=O)CC[C@H]([NH2+]Cc2cc3cc4c(cc3nc2OCc2ccccc2Cl)CCC4)C1 ZINC000015070217 555869769 /nfs/dbraw/zinc/86/97/69/555869769.db2.gz ZUGSPWYHCUQYPS-NRFANRHFSA-N 1 1 456.995 4.233 50 0 JIAAMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cnn(-c4nccc(-c5cc6ccccc6o5)n4)c3C3CC3)C2)C1 ZINC000011997655 555879732 /nfs/dbraw/zinc/87/97/32/555879732.db2.gz GTLOPFQZOJZAOJ-HHHXNRCGSA-N 1 1 468.561 4.121 50 0 JIAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000015539183 555913758 /nfs/dbraw/zinc/91/37/58/555913758.db2.gz MHYOUKFFSVAUSC-QFIPXVFZSA-N 1 1 469.994 4.145 50 0 JIAAMO O=c1c(C[NH2+]CCc2c[nH]c3ccccc23)cc2cc3c(cc2n1CCN1CCCCC1)OCO3 ZINC000012149463 555921582 /nfs/dbraw/zinc/92/15/82/555921582.db2.gz GQUBQUAYUSZIHE-UHFFFAOYSA-N 1 1 472.589 4.030 50 0 JIAAMO O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022358467 555925419 /nfs/dbraw/zinc/92/54/19/555925419.db2.gz DFVSLVNYKHYKQF-UHFFFAOYSA-N 1 1 462.550 4.465 50 0 JIAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1)Cc1ccccc1 ZINC000015676910 555940555 /nfs/dbraw/zinc/94/05/55/555940555.db2.gz CIGBPDWPBWQPQN-UHFFFAOYSA-N 1 1 455.606 4.342 50 0 JIAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000015681420 555950292 /nfs/dbraw/zinc/95/02/92/555950292.db2.gz KUPVWJFXDHKWNX-UHFFFAOYSA-N 1 1 453.590 4.458 50 0 JIAAMO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726155 555963374 /nfs/dbraw/zinc/96/33/74/555963374.db2.gz CNDNMKUGVDBSTM-IBGZPJMESA-N 1 1 450.539 4.167 50 0 JIAAMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726155 555963376 /nfs/dbraw/zinc/96/33/76/555963376.db2.gz CNDNMKUGVDBSTM-IBGZPJMESA-N 1 1 450.539 4.167 50 0 JIAAMO Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000015729775 555970761 /nfs/dbraw/zinc/97/07/61/555970761.db2.gz OQESQHNJLRDAOX-UHFFFAOYSA-N 1 1 476.968 4.062 50 0 JIAAMO COc1cc(C)c(C[NH+]2CCN(Cn3nc(-c4ccc(C)cc4)n(C)c3=S)CC2)cc1OC ZINC000022933959 555986751 /nfs/dbraw/zinc/98/67/51/555986751.db2.gz OWBYLOKZHGIYJZ-UHFFFAOYSA-N 1 1 467.639 4.027 50 0 JIAAMO CN1CC[NH+](CCCNC(=O)CCc2cn(Cc3ccccc3Cl)c3ccccc23)CC1 ZINC000022936472 555989435 /nfs/dbraw/zinc/98/94/35/555989435.db2.gz WGPORJZRYJUVLY-UHFFFAOYSA-N 1 1 453.030 4.029 50 0 JIAAMO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c2)cc1 ZINC000012521131 555992404 /nfs/dbraw/zinc/99/24/04/555992404.db2.gz IEKFEWMZTYVFGC-HSZRJFAPSA-N 1 1 483.590 4.046 50 0 JIAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)N(CCc1ccccc1)CCc1ccccc1)OCCO3 ZINC000012537579 556010657 /nfs/dbraw/zinc/01/06/57/556010657.db2.gz JFQCENVVZPMPMS-UHFFFAOYSA-N 1 1 455.558 4.430 50 0 JIAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cc(C)ccc2C)CC3)o1 ZINC000023130161 556019234 /nfs/dbraw/zinc/01/92/34/556019234.db2.gz VIYNYIAOUSJCRR-QHCPKHFHSA-N 1 1 479.625 4.210 50 0 JIAAMO Cc1ccccc1-n1cnnc1SCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012558001 556046833 /nfs/dbraw/zinc/04/68/33/556046833.db2.gz FZMGAQZFHQREJU-NRFANRHFSA-N 1 1 456.015 4.275 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c(C)n(Cc3ccccc3Cl)c(C)c2c1=O ZINC000015941266 556076319 /nfs/dbraw/zinc/07/63/19/556076319.db2.gz JKOBEOOIPVYXEC-QFIPXVFZSA-N 1 1 498.071 4.287 50 0 JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000015958578 556090334 /nfs/dbraw/zinc/09/03/34/556090334.db2.gz VNKCHUMFJCPYPJ-IDNYDCHQSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000015958578 556090338 /nfs/dbraw/zinc/09/03/38/556090338.db2.gz VNKCHUMFJCPYPJ-IDNYDCHQSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO C[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000023934883 556101485 /nfs/dbraw/zinc/10/14/85/556101485.db2.gz DDEVCDRFHOKTFL-FQRUVTKNSA-N 1 1 478.662 4.054 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012999 556112040 /nfs/dbraw/zinc/11/20/40/556112040.db2.gz HOXQVKPXIPYTRW-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012999 556112042 /nfs/dbraw/zinc/11/20/42/556112042.db2.gz HOXQVKPXIPYTRW-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)n2)cc1 ZINC000024023246 556116994 /nfs/dbraw/zinc/11/69/94/556116994.db2.gz QMAJDDXAUHRKRK-UHFFFAOYSA-N 1 1 465.623 4.273 50 0 JIAAMO COc1ccc(C[N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)c(OC)c1OC ZINC000024574424 556136822 /nfs/dbraw/zinc/13/68/22/556136822.db2.gz RPFJLILLBVFFLU-AWEZNQCLSA-N 1 1 456.612 4.099 50 0 JIAAMO C[NH+](C)Cc1nc2ccccc2c(SCC(=O)Nc2ccc(I)cc2)n1 ZINC000012979666 556172753 /nfs/dbraw/zinc/17/27/53/556172753.db2.gz PDQLIHIZVDXGJZ-UHFFFAOYSA-N 1 1 478.359 4.027 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC000025045637 556173708 /nfs/dbraw/zinc/17/37/08/556173708.db2.gz YLEIAXUAEJLMAG-NRFANRHFSA-N 1 1 460.534 4.182 50 0 JIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n2)cc1 ZINC000017042723 556209474 /nfs/dbraw/zinc/20/94/74/556209474.db2.gz LPHRTSQHDWMCSZ-UHFFFAOYSA-N 1 1 457.987 4.001 50 0 JIAAMO Cc1ccc(C[NH+]2CCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)CC2)c(C)c1 ZINC000017207625 556241125 /nfs/dbraw/zinc/24/11/25/556241125.db2.gz JSRPVAJJNQSHTQ-UHFFFAOYSA-N 1 1 469.655 4.266 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296951 556252130 /nfs/dbraw/zinc/25/21/30/556252130.db2.gz CMYZNCSOBWFAMB-AREMUKBSSA-N 1 1 478.564 4.414 50 0 JIAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000013121464 556337796 /nfs/dbraw/zinc/33/77/96/556337796.db2.gz UIMRXVKXPRYORC-JOCHJYFZSA-N 1 1 462.015 4.072 50 0 JIAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(C)C)cc1 ZINC000029118884 556346887 /nfs/dbraw/zinc/34/68/87/556346887.db2.gz TXGASALQGHVOLF-HSZRJFAPSA-N 1 1 464.532 4.135 50 0 JIAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(C)C)cc1 ZINC000029118884 556346889 /nfs/dbraw/zinc/34/68/89/556346889.db2.gz TXGASALQGHVOLF-HSZRJFAPSA-N 1 1 464.532 4.135 50 0 JIAAMO CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000029773206 556357276 /nfs/dbraw/zinc/35/72/76/556357276.db2.gz NRZZTFBHZZGRHG-UHFFFAOYSA-N 1 1 487.641 4.127 50 0 JIAAMO CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000029773206 556357280 /nfs/dbraw/zinc/35/72/80/556357280.db2.gz NRZZTFBHZZGRHG-UHFFFAOYSA-N 1 1 487.641 4.127 50 0 JIAAMO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2)cc1 ZINC000029929722 556360407 /nfs/dbraw/zinc/36/04/07/556360407.db2.gz PPSRJDDQYLAEFJ-UHFFFAOYSA-N 1 1 451.592 4.048 50 0 JIAAMO O=C(c1ccccc1-n1cnnn1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030509876 556366187 /nfs/dbraw/zinc/36/61/87/556366187.db2.gz KCSYHZLFTNPPOA-UHFFFAOYSA-N 1 1 464.982 4.002 50 0 JIAAMO CSc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000031039945 556391532 /nfs/dbraw/zinc/39/15/32/556391532.db2.gz NSCIQEWTRLSTHJ-UHFFFAOYSA-N 1 1 454.365 4.209 50 0 JIAAMO CSc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000031039945 556391529 /nfs/dbraw/zinc/39/15/29/556391529.db2.gz NSCIQEWTRLSTHJ-UHFFFAOYSA-N 1 1 454.365 4.209 50 0 JIAAMO NC(=O)NCCCCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000032914541 556538782 /nfs/dbraw/zinc/53/87/82/556538782.db2.gz ONZDWOQWWWLNFX-UHFFFAOYSA-N 1 1 493.471 4.051 50 0 JIAAMO CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033019314 563110296 /nfs/dbraw/zinc/11/02/96/563110296.db2.gz GLKGXHHESGCNKZ-QHCPKHFHSA-N 1 1 477.630 4.065 50 0 JIAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@@H](C)c3cccs3)C4=O)CC2)c1 ZINC000055357747 569591591 /nfs/dbraw/zinc/59/15/91/569591591.db2.gz CRYOLWOCJZMAQM-SFHVURJKSA-N 1 1 461.587 4.436 50 0 JIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1NC2=O ZINC000061999353 569610024 /nfs/dbraw/zinc/61/00/24/569610024.db2.gz JMPQHVQAAMURDP-DARZMLDPSA-N 1 1 477.564 4.264 50 0 biogenic JIAAMO COc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000062734712 569614647 /nfs/dbraw/zinc/61/46/47/569614647.db2.gz PKJUXTNZIIDXFB-UHFFFAOYSA-N 1 1 493.629 4.188 50 0 JIAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NCc1cccs1 ZINC000064074645 569616111 /nfs/dbraw/zinc/61/61/11/569616111.db2.gz RTDBDDCSIIWVEC-UHFFFAOYSA-N 1 1 499.640 4.223 50 0 JIAAMO CCn1c2c(C(=O)Nc3cccc(C(F)(F)F)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835887 569636500 /nfs/dbraw/zinc/63/65/00/569636500.db2.gz OVZNDCBUBSWJGO-UHFFFAOYSA-N 1 1 495.505 4.345 50 0 JIAAMO Cc1cccc(-c2cnc(N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)nc2)c1 ZINC000065023791 569649991 /nfs/dbraw/zinc/64/99/91/569649991.db2.gz ILUHPVNNUUDACU-UHFFFAOYSA-N 1 1 455.606 4.013 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](C[C@H](O)COCc1ccc3c(c1)OCO3)CC2 ZINC000034871983 569668417 /nfs/dbraw/zinc/66/84/17/569668417.db2.gz UMLPUBLNBXHPFF-SIBVEZHUSA-N 1 1 483.586 4.019 50 0 JIAAMO CC[NH+]1CCN(C(=O)C2CCN(c3ccc(Sc4ccc(C(C)C)cc4)nn3)CC2)CC1 ZINC000065314875 569672691 /nfs/dbraw/zinc/67/26/91/569672691.db2.gz IWNMJHBFLKDLHG-UHFFFAOYSA-N 1 1 453.656 4.132 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000065614805 569676249 /nfs/dbraw/zinc/67/62/49/569676249.db2.gz GILHVMIGUFZSDE-JOCHJYFZSA-N 1 1 458.002 4.110 50 0 JIAAMO CCOC(=O)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427004 569694079 /nfs/dbraw/zinc/69/40/79/569694079.db2.gz PFBCVGWFGTXGMN-QHCPKHFHSA-N 1 1 499.036 4.358 50 0 JIAAMO CCOC(=O)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427004 569694080 /nfs/dbraw/zinc/69/40/80/569694080.db2.gz PFBCVGWFGTXGMN-QHCPKHFHSA-N 1 1 499.036 4.358 50 0 JIAAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000084367305 569709142 /nfs/dbraw/zinc/70/91/42/569709142.db2.gz QAXIKXPTPBMDTE-RZFJZAQRSA-N 1 1 496.051 4.262 50 0 JIAAMO COc1cc2nc(C3CCCC3)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2cc1OC ZINC000085425826 569710889 /nfs/dbraw/zinc/71/08/89/569710889.db2.gz YNUBZIXHSIXZPR-UHFFFAOYSA-N 1 1 476.577 4.356 50 0 JIAAMO COc1cccc2cc(-c3ccc(OCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)cc3)c(=O)oc21 ZINC000085874644 569715724 /nfs/dbraw/zinc/71/57/24/569715724.db2.gz KXDXZQRYHONDHC-XUZZJYLKSA-N 1 1 476.573 4.228 50 0 biogenic JIAAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035871200 569718520 /nfs/dbraw/zinc/71/85/20/569718520.db2.gz BPDONTXWXLGIGU-AHWVRZQESA-N 1 1 494.561 4.322 50 0 JIAAMO O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035871449 569718730 /nfs/dbraw/zinc/71/87/30/569718730.db2.gz ALJSKGSQXGYHJU-GMAHTHKFSA-N 1 1 461.503 4.234 50 0 JIAAMO Cc1ccsc1CN1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000095547272 569727356 /nfs/dbraw/zinc/72/73/56/569727356.db2.gz KISXVCXDIKOHOQ-UHFFFAOYSA-N 1 1 453.587 4.088 50 0 JIAAMO C[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N4CCCC4)cc3)n2)CC1 ZINC000095925582 569730207 /nfs/dbraw/zinc/73/02/07/569730207.db2.gz WGSSQXYOHXYGJH-UHFFFAOYSA-N 1 1 453.656 4.054 50 0 JIAAMO CCC[N@@H+]1CC(=Cc2cccc(OC)c2OC)C2=NC(=S)N[C@H](c3cccc(OC)c3OC)C2C1 ZINC000096581445 569741770 /nfs/dbraw/zinc/74/17/70/569741770.db2.gz WOJABXNGIBZIKD-YLJZTEMXSA-N 1 1 495.645 4.303 50 0 JIAAMO CCC[N@@H+]1CC(=Cc2cccc(OC)c2OC)C2=NC(=S)N[C@@H](c3cccc(OC)c3OC)C2C1 ZINC000096581443 569741804 /nfs/dbraw/zinc/74/18/04/569741804.db2.gz WOJABXNGIBZIKD-KPUQOTSHSA-N 1 1 495.645 4.303 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036257015 569758843 /nfs/dbraw/zinc/75/88/43/569758843.db2.gz HUROHIKGGOTJAX-SQJMNOBHSA-N 1 1 489.104 4.037 50 0 JIAAMO COc1cccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)C(C)C)c1 ZINC000036312134 569759926 /nfs/dbraw/zinc/75/99/26/569759926.db2.gz WQFFSIHYIZPYDH-UHFFFAOYSA-N 1 1 466.557 4.292 50 0 JIAAMO COc1ccccc1C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(C)C ZINC000036312135 569759976 /nfs/dbraw/zinc/75/99/76/569759976.db2.gz GMAKCNYSRQVRJW-UHFFFAOYSA-N 1 1 466.557 4.292 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC000036341441 569764456 /nfs/dbraw/zinc/76/44/56/569764456.db2.gz JBSPZFIHDHJKEO-QHCPKHFHSA-N 1 1 451.567 4.122 50 0 JIAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036343331 569766382 /nfs/dbraw/zinc/76/63/82/569766382.db2.gz QQJDYBAAKMPCBC-MUUNZHRXSA-N 1 1 498.627 4.199 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345027 569767561 /nfs/dbraw/zinc/76/75/61/569767561.db2.gz WCYZQHZURIJOAQ-OFNKIYASSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345027 569767562 /nfs/dbraw/zinc/76/75/62/569767562.db2.gz WCYZQHZURIJOAQ-OFNKIYASSA-N 1 1 453.970 4.293 50 0 JIAAMO COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036345261 569767884 /nfs/dbraw/zinc/76/78/84/569767884.db2.gz DCPYOPOFZSYLIV-MHZLTWQESA-N 1 1 468.601 4.191 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccccc2C)C1 ZINC000036345718 569768143 /nfs/dbraw/zinc/76/81/43/569768143.db2.gz KRYYMDZTQPHXKO-RDPSFJRHSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccccc2C)C1 ZINC000036345718 569768145 /nfs/dbraw/zinc/76/81/45/569768145.db2.gz KRYYMDZTQPHXKO-RDPSFJRHSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346692 569770629 /nfs/dbraw/zinc/77/06/29/569770629.db2.gz TYGMKBYUHSRRLF-QFIPXVFZSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346692 569770630 /nfs/dbraw/zinc/77/06/30/569770630.db2.gz TYGMKBYUHSRRLF-QFIPXVFZSA-N 1 1 475.536 4.097 50 0 JIAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037213043 569781722 /nfs/dbraw/zinc/78/17/22/569781722.db2.gz ROLXXJNXDVSTAO-KGLIPLIRSA-N 1 1 454.621 4.152 50 0 JIAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037213043 569781724 /nfs/dbraw/zinc/78/17/24/569781724.db2.gz ROLXXJNXDVSTAO-KGLIPLIRSA-N 1 1 454.621 4.152 50 0 JIAAMO CC(C)(C)CC(=O)N(CCC[NH+]1CCOCC1)CCc1nc(-c2ccc(Br)cc2)no1 ZINC000037381324 569784959 /nfs/dbraw/zinc/78/49/59/569784959.db2.gz CPLNFAFPQONBJW-UHFFFAOYSA-N 1 1 493.446 4.029 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151434 569819895 /nfs/dbraw/zinc/81/98/95/569819895.db2.gz BZNJKIUSFBEGOC-AWEZNQCLSA-N 1 1 470.422 4.003 50 0 JIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)N2[C@H]1c1ccccc1Cl ZINC000102940418 569829476 /nfs/dbraw/zinc/82/94/76/569829476.db2.gz XENKHXIEDMXBBM-AOMKIAJQSA-N 1 1 489.041 4.079 50 0 JIAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104985168 569848818 /nfs/dbraw/zinc/84/88/18/569848818.db2.gz YFQMTLMAFDFKPY-IFMALSPDSA-N 1 1 498.963 4.235 50 0 JIAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104985168 569848819 /nfs/dbraw/zinc/84/88/19/569848819.db2.gz YFQMTLMAFDFKPY-IFMALSPDSA-N 1 1 498.963 4.235 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COC(C)C ZINC000105004240 569849641 /nfs/dbraw/zinc/84/96/41/569849641.db2.gz GEKJOAXKPIGCTB-LADGPHEKSA-N 1 1 488.694 4.368 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009898 569850619 /nfs/dbraw/zinc/85/06/19/569850619.db2.gz NIDGGXDEXZOHAT-ZJSXRUAMSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009898 569850620 /nfs/dbraw/zinc/85/06/20/569850620.db2.gz NIDGGXDEXZOHAT-ZJSXRUAMSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccccc2Cl)C1 ZINC000105010813 569851007 /nfs/dbraw/zinc/85/10/07/569851007.db2.gz RBMKXSRUOXAUHL-WZONZLPQSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccccc2Cl)C1 ZINC000105010813 569851008 /nfs/dbraw/zinc/85/10/08/569851008.db2.gz RBMKXSRUOXAUHL-WZONZLPQSA-N 1 1 483.996 4.301 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)C1 ZINC000105470361 569853066 /nfs/dbraw/zinc/85/30/66/569853066.db2.gz PUWZSSORGQMMMB-PHVLTXCSSA-N 1 1 480.653 4.389 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000169679281 569869562 /nfs/dbraw/zinc/86/95/62/569869562.db2.gz CSTUNECKNNEGFV-VPUSJEBWSA-N 1 1 460.574 4.268 50 0 JIAAMO O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000239284840 570050057 /nfs/dbraw/zinc/05/00/57/570050057.db2.gz CDPOFXVLELFQGF-RYQLBKOJSA-N 1 1 498.347 4.226 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245246849 570059289 /nfs/dbraw/zinc/05/92/89/570059289.db2.gz PRQCOHVPGGEQMN-FFBQQKEYSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245246849 570059290 /nfs/dbraw/zinc/05/92/90/570059290.db2.gz PRQCOHVPGGEQMN-FFBQQKEYSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247923181 570071170 /nfs/dbraw/zinc/07/11/70/570071170.db2.gz OPHPNPHFPLFZHW-DWKCODDLSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247923181 570071171 /nfs/dbraw/zinc/07/11/71/570071171.db2.gz OPHPNPHFPLFZHW-DWKCODDLSA-N 1 1 489.881 4.098 50 0 JIAAMO CC(C)n1c(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)nc2ccccc21 ZINC000247983587 570072039 /nfs/dbraw/zinc/07/20/39/570072039.db2.gz IAALEMVQTUFARF-UHFFFAOYSA-N 1 1 459.638 4.174 50 0 JIAAMO CCCC(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248088158 570073758 /nfs/dbraw/zinc/07/37/58/570073758.db2.gz LSWKODPASKEENZ-NBGIEHNGSA-N 1 1 453.652 4.254 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)nc2ccccc21 ZINC000249684640 570078604 /nfs/dbraw/zinc/07/86/04/570078604.db2.gz DVGREMZLVQSEMA-QHCPKHFHSA-N 1 1 459.638 4.234 50 0 JIAAMO CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000249702720 570078977 /nfs/dbraw/zinc/07/89/77/570078977.db2.gz ZDHSKEIIBYGTAH-JOCHJYFZSA-N 1 1 480.056 4.114 50 0 JIAAMO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252495201 570082097 /nfs/dbraw/zinc/08/20/97/570082097.db2.gz ONFGVUVTQXNLMD-QFIPXVFZSA-N 1 1 461.528 4.132 50 0 JIAAMO NC(=O)C[C@H](c1ccc(-c2nc3ccccc3s2)o1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253415063 570098690 /nfs/dbraw/zinc/09/86/90/570098690.db2.gz ZMOHONIJDRTLQN-MRXNPFEDSA-N 1 1 479.558 4.208 50 0 JIAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NCc3cccs3)CC23CCCCC3)cc1 ZINC000002943349 194175518 /nfs/dbraw/zinc/17/55/18/194175518.db2.gz YTGJGOSCJQGGCZ-UHFFFAOYSA-N 1 1 470.708 4.068 50 0 JIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000004473711 194390525 /nfs/dbraw/zinc/39/05/25/194390525.db2.gz KYTMIRFKTASEAC-HXUWFJFHSA-N 1 1 469.588 4.270 50 0 JIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000004473711 194390527 /nfs/dbraw/zinc/39/05/27/194390527.db2.gz KYTMIRFKTASEAC-HXUWFJFHSA-N 1 1 469.588 4.270 50 0 JIAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012680556 195084035 /nfs/dbraw/zinc/08/40/35/195084035.db2.gz HMPAQBNSOHWLCS-UHFFFAOYSA-N 1 1 486.572 4.237 50 0 JIAAMO COc1ccc([C@H](CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)[NH+]2CCCCC2)cc1 ZINC000012687075 195086295 /nfs/dbraw/zinc/08/62/95/195086295.db2.gz JUDAUVJXJJZPCF-QHCPKHFHSA-N 1 1 466.578 4.163 50 0 JIAAMO Cc1c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012780939 195124684 /nfs/dbraw/zinc/12/46/84/195124684.db2.gz NULXXWKOWCJYSD-HSZRJFAPSA-N 1 1 450.539 4.003 50 0 JIAAMO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012781590 195124803 /nfs/dbraw/zinc/12/48/03/195124803.db2.gz YAVRWLZVYQOMQG-FQEVSTJZSA-N 1 1 473.495 4.455 50 0 JIAAMO COc1cccc(CNC(=O)CNC(=S)N2CC[N@@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)c1 ZINC000020687978 195205424 /nfs/dbraw/zinc/20/54/24/195205424.db2.gz QFMCQCHGSSZPLK-UHFFFAOYSA-N 1 1 494.705 4.015 50 0 JIAAMO COc1cccc(/C=C2/Sc3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3NC2=O)c1 ZINC000020734332 195211727 /nfs/dbraw/zinc/21/17/27/195211727.db2.gz PSWXUBAJAKVGCX-BDFKGGEMSA-N 1 1 451.592 4.385 50 0 JIAAMO Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000020735433 195212434 /nfs/dbraw/zinc/21/24/34/195212434.db2.gz SPEPSRJBGXADPE-ZXVVBBHZSA-N 1 1 467.569 4.106 50 0 JIAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020784624 195225326 /nfs/dbraw/zinc/22/53/26/195225326.db2.gz UGJVOZVTYCGGEA-QHCPKHFHSA-N 1 1 450.627 4.210 50 0 JIAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526700 195305116 /nfs/dbraw/zinc/30/51/16/195305116.db2.gz UXNRNNLABPODPX-SANMLTNESA-N 1 1 456.631 4.410 50 0 JIAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526703 195305150 /nfs/dbraw/zinc/30/51/50/195305150.db2.gz UXNRNNLABPODPX-AREMUKBSSA-N 1 1 456.631 4.410 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934613 195335950 /nfs/dbraw/zinc/33/59/50/195335950.db2.gz NOTANGWVQLVCJO-UHFFFAOYSA-N 1 1 465.601 4.235 50 0 JIAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058158517 195368120 /nfs/dbraw/zinc/36/81/20/195368120.db2.gz RCEXHKRCDXGQEG-IBGZPJMESA-N 1 1 450.514 4.043 50 0 JIAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058158517 195368123 /nfs/dbraw/zinc/36/81/23/195368123.db2.gz RCEXHKRCDXGQEG-IBGZPJMESA-N 1 1 450.514 4.043 50 0 JIAAMO CC[NH+]1CCN(CCCCNC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000058173892 195371402 /nfs/dbraw/zinc/37/14/02/195371402.db2.gz HHDPOQQUNLOJHA-UHFFFAOYSA-N 1 1 464.079 4.256 50 0 JIAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1cccnc1Oc1ccc3c(c1)OCO3)CC2 ZINC000096232515 130001005 /nfs/dbraw/zinc/00/10/05/130001005.db2.gz IMFLZDKNLLHPIE-UHFFFAOYSA-N 1 1 477.517 4.007 50 0 JIAAMO CC(=O)N1CCC(N2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)CC1 ZINC000014956345 519512334 /nfs/dbraw/zinc/51/23/34/519512334.db2.gz MULRRLNDFNIEMZ-UHFFFAOYSA-N 1 1 477.649 4.073 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1 ZINC000036305112 520092316 /nfs/dbraw/zinc/09/23/16/520092316.db2.gz OEUOQBDRJOZXIA-NRFANRHFSA-N 1 1 474.001 4.379 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036303888 520095499 /nfs/dbraw/zinc/09/54/99/520095499.db2.gz KMPXKIGTHFXMJD-QFIPXVFZSA-N 1 1 451.567 4.343 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036303888 520095512 /nfs/dbraw/zinc/09/55/12/520095512.db2.gz KMPXKIGTHFXMJD-QFIPXVFZSA-N 1 1 451.567 4.343 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080247 520511475 /nfs/dbraw/zinc/51/14/75/520511475.db2.gz CQTOGAJBFITDOY-CVDCTZTESA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080247 520511484 /nfs/dbraw/zinc/51/14/84/520511484.db2.gz CQTOGAJBFITDOY-CVDCTZTESA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080247 520511497 /nfs/dbraw/zinc/51/14/97/520511497.db2.gz CQTOGAJBFITDOY-CVDCTZTESA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080247 520511505 /nfs/dbraw/zinc/51/15/05/520511505.db2.gz CQTOGAJBFITDOY-CVDCTZTESA-N 1 1 453.970 4.391 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@H](O)COC(C)C ZINC000036309281 521536684 /nfs/dbraw/zinc/53/66/84/521536684.db2.gz KQUFLCPGNJAUER-REWPJTCUSA-N 1 1 495.085 4.404 50 0 JIAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COc1ccccc1C ZINC000036151052 521679269 /nfs/dbraw/zinc/67/92/69/521679269.db2.gz FRQUGTYWSZEEHJ-HSZRJFAPSA-N 1 1 465.594 4.139 50 0 JIAAMO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000036309254 522401025 /nfs/dbraw/zinc/40/10/25/522401025.db2.gz DIYPUTZVJLJPAR-DHLKQENFSA-N 1 1 486.678 4.096 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@H](O)COC)C1CC1 ZINC000036302615 522639653 /nfs/dbraw/zinc/63/96/53/522639653.db2.gz SDSVLNGHPPJWKU-NRFANRHFSA-N 1 1 451.567 4.207 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@H](O)COC)C1CC1 ZINC000036302615 522639661 /nfs/dbraw/zinc/63/96/61/522639661.db2.gz SDSVLNGHPPJWKU-NRFANRHFSA-N 1 1 451.567 4.207 50 0 JIAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cc(C)cc(C)c2)CC3)o1 ZINC000014968543 522964655 /nfs/dbraw/zinc/96/46/55/522964655.db2.gz SWVLAUCBJQRZMU-HSZRJFAPSA-N 1 1 479.625 4.210 50 0 JIAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206424 523268256 /nfs/dbraw/zinc/26/82/56/523268256.db2.gz LOICGNNYDJONJF-IBGZPJMESA-N 1 1 494.057 4.177 50 0 JIAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206424 523268261 /nfs/dbraw/zinc/26/82/61/523268261.db2.gz LOICGNNYDJONJF-IBGZPJMESA-N 1 1 494.057 4.177 50 0 JIAAMO CC[C@@]1(C2CC[NH+](Cc3cccc(F)c3F)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000012455347 523734964 /nfs/dbraw/zinc/73/49/64/523734964.db2.gz IZKGNIVQNGTHTR-SANMLTNESA-N 1 1 471.548 4.129 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036306698 523735283 /nfs/dbraw/zinc/73/52/83/523735283.db2.gz IKUMLKMQJUGFBD-OAQYLSRUSA-N 1 1 471.573 4.253 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036302420 523737191 /nfs/dbraw/zinc/73/71/91/523737191.db2.gz AKEDFHDHBBXMPG-QHCPKHFHSA-N 1 1 483.609 4.216 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036302420 523737194 /nfs/dbraw/zinc/73/71/94/523737194.db2.gz AKEDFHDHBBXMPG-QHCPKHFHSA-N 1 1 483.609 4.216 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cccc(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000020467749 524039906 /nfs/dbraw/zinc/03/99/06/524039906.db2.gz UKBWYPSPNKBWLO-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000020467749 524039907 /nfs/dbraw/zinc/03/99/07/524039907.db2.gz UKBWYPSPNKBWLO-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](CC(C)C)C1 ZINC000014751882 524473295 /nfs/dbraw/zinc/47/32/95/524473295.db2.gz LTOKLXVULLDCDP-SQJMNOBHSA-N 1 1 450.623 4.473 50 0 JIAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 ZINC000014749003 524899394 /nfs/dbraw/zinc/89/93/94/524899394.db2.gz OKGIDNOVGUUWFS-NRFANRHFSA-N 1 1 486.616 4.133 50 0 JIAAMO Cc1ccc(N2CCN(c3ccc4nc(C(=O)NCC[N@H+](C)Cc5ccccc5)ccc4n3)CC2)cc1 ZINC000021880476 524965024 /nfs/dbraw/zinc/96/50/24/524965024.db2.gz PGVRACXKCKEMCF-UHFFFAOYSA-N 1 1 494.643 4.127 50 0 JIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)C(C)C)cc1 ZINC000036309534 525440816 /nfs/dbraw/zinc/44/08/16/525440816.db2.gz LBKGXMYTMVBARQ-URXFXBBRSA-N 1 1 474.667 4.058 50 0 JIAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000035461428 525674872 /nfs/dbraw/zinc/67/48/72/525674872.db2.gz NRFXHRROLKQWGJ-FQEVSTJZSA-N 1 1 453.656 4.001 50 0 JIAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccc(CC(C)C)cc2)CC3)c1 ZINC000014881791 525825514 /nfs/dbraw/zinc/82/55/14/525825514.db2.gz WNSIZSXQVAHBGV-FQEVSTJZSA-N 1 1 461.610 4.035 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146427 525923773 /nfs/dbraw/zinc/92/37/73/525923773.db2.gz QVBSPQZTLXUGPX-AHKZPQOWSA-N 1 1 478.564 4.407 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260166 526246303 /nfs/dbraw/zinc/24/63/03/526246303.db2.gz ZTDQDLWYTXWSCL-IBGZPJMESA-N 1 1 496.059 4.042 50 0 JIAAMO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146625 526287744 /nfs/dbraw/zinc/28/77/44/526287744.db2.gz YFQMTLMAFDFKPY-RBBKRZOGSA-N 1 1 498.963 4.235 50 0 JIAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146625 526287746 /nfs/dbraw/zinc/28/77/46/526287746.db2.gz YFQMTLMAFDFKPY-RBBKRZOGSA-N 1 1 498.963 4.235 50 0 JIAAMO O=C(C1CCCCC1)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000014982812 526298900 /nfs/dbraw/zinc/29/89/00/526298900.db2.gz QCJOSQVVKRQNCK-UHFFFAOYSA-N 1 1 462.638 4.354 50 0 JIAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021805257 526579329 /nfs/dbraw/zinc/57/93/29/526579329.db2.gz XMUPUAWATDTBFP-HXUWFJFHSA-N 1 1 453.926 4.333 50 0 JIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)Nc1ccc(F)c(Cl)c1 ZINC000012415610 527056439 /nfs/dbraw/zinc/05/64/39/527056439.db2.gz GDKXLRGHYMKCLZ-UHFFFAOYSA-N 1 1 458.946 4.264 50 0 JIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccc(F)c(Cl)c1 ZINC000012415610 527056449 /nfs/dbraw/zinc/05/64/49/527056449.db2.gz GDKXLRGHYMKCLZ-UHFFFAOYSA-N 1 1 458.946 4.264 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000014749518 527202017 /nfs/dbraw/zinc/20/20/17/527202017.db2.gz VEJFEWWIIFVCCF-XZOQPEGZSA-N 1 1 475.564 4.098 50 0 JIAAMO Cc1[nH+]ccn1CCC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000012199102 527390386 /nfs/dbraw/zinc/39/03/86/527390386.db2.gz TXPRIUUMNLPASR-UHFFFAOYSA-N 1 1 450.514 4.390 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000002358123 554164566 /nfs/dbraw/zinc/16/45/66/554164566.db2.gz HOXQVKPXIPYTRW-LYXWCMDISA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000002358123 554164570 /nfs/dbraw/zinc/16/45/70/554164570.db2.gz HOXQVKPXIPYTRW-LYXWCMDISA-N 1 1 470.356 4.041 50 0 JIAAMO C[N@@H+](CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)C1CCCCC1 ZINC000008933098 554826880 /nfs/dbraw/zinc/82/68/80/554826880.db2.gz JBABDVPCRAWKPK-UHFFFAOYSA-N 1 1 485.632 4.170 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009076655 554888175 /nfs/dbraw/zinc/88/81/75/554888175.db2.gz ZWVOOVZJKJWXRR-DEOSSOPVSA-N 1 1 499.567 4.233 50 0 JIAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+](Cc3ccco3)[C@H](C)CC)c(=O)c21 ZINC000009153450 554943229 /nfs/dbraw/zinc/94/32/29/554943229.db2.gz VFECTDTVGOXKTQ-HXUWFJFHSA-N 1 1 477.609 4.161 50 0 JIAAMO COc1ccc(-c2cc3ccc(OCC[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc3oc2=O)cc1 ZINC000009409914 555175418 /nfs/dbraw/zinc/17/54/18/555175418.db2.gz UBUOVOKOPCPNGE-KNQAVFIVSA-N 1 1 484.552 4.128 50 0 biogenic JIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000009442674 555215071 /nfs/dbraw/zinc/21/50/71/555215071.db2.gz RAQVAHLAQZMHFG-RUZDIDTESA-N 1 1 493.629 4.378 50 0 JIAAMO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2)cc1 ZINC000009468082 555247012 /nfs/dbraw/zinc/24/70/12/555247012.db2.gz SAJRFHXIIWZLGF-UHFFFAOYSA-N 1 1 493.629 4.234 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000009501921 555286414 /nfs/dbraw/zinc/28/64/14/555286414.db2.gz KIKJYBGGFVQLPX-RUZDIDTESA-N 1 1 492.620 4.081 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009501942 555286462 /nfs/dbraw/zinc/28/64/62/555286462.db2.gz IJEJZEFQHGJWIB-DEOSSOPVSA-N 1 1 457.615 4.207 50 0 JIAAMO O=C(Nc1ccccc1)C1CCN(c2cc[nH+]c(N3CCC(C(=O)Nc4ccccc4)CC3)n2)CC1 ZINC000013163306 555360675 /nfs/dbraw/zinc/36/06/75/555360675.db2.gz VGXCVKNXVKFECM-UHFFFAOYSA-N 1 1 484.604 4.187 50 0 JIAAMO CCOc1ccc2nc(N3CCC(C(=O)NCCC[N@H+]4CCc5ccccc5C4)CC3)sc2c1 ZINC000009848028 555549933 /nfs/dbraw/zinc/54/99/33/555549933.db2.gz ZQFKMJZXDMFVRY-UHFFFAOYSA-N 1 1 478.662 4.476 50 0 JIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)CC1 ZINC000020028679 555604494 /nfs/dbraw/zinc/60/44/94/555604494.db2.gz COXRDDBTFQBEDB-UHFFFAOYSA-N 1 1 452.986 4.456 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214059 555708750 /nfs/dbraw/zinc/70/87/50/555708750.db2.gz CQTOGAJBFITDOY-WMZHIEFXSA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214059 555708751 /nfs/dbraw/zinc/70/87/51/555708751.db2.gz CQTOGAJBFITDOY-WMZHIEFXSA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214059 555708756 /nfs/dbraw/zinc/70/87/56/555708756.db2.gz CQTOGAJBFITDOY-WMZHIEFXSA-N 1 1 453.970 4.391 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214059 555708758 /nfs/dbraw/zinc/70/87/58/555708758.db2.gz CQTOGAJBFITDOY-WMZHIEFXSA-N 1 1 453.970 4.391 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000014235015 555738791 /nfs/dbraw/zinc/73/87/91/555738791.db2.gz AMYKJHCTGMNHAR-UHFFFAOYSA-N 1 1 493.633 4.488 50 0 JIAAMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000010931270 555747720 /nfs/dbraw/zinc/74/77/20/555747720.db2.gz ZCEFQNFVHLWTAU-UHFFFAOYSA-N 1 1 473.639 4.109 50 0 JIAAMO O=C(NCc1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2)c1cccc(F)c1 ZINC000011782229 555812401 /nfs/dbraw/zinc/81/24/01/555812401.db2.gz OQFCNPRPHPVOPH-UHFFFAOYSA-N 1 1 469.564 4.037 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014530948 555817968 /nfs/dbraw/zinc/81/79/68/555817968.db2.gz JNGBJXCFPVBBRD-UXHICEINSA-N 1 1 462.569 4.396 50 0 JIAAMO O=C(COc1ccccc1)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3c(F)ccc(F)c3F)CC2)[C@H]1O ZINC000011789178 555823844 /nfs/dbraw/zinc/82/38/44/555823844.db2.gz GSPMGCQIHADRAL-SXOMAYOGSA-N 1 1 496.529 4.249 50 0 JIAAMO CSc1nccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)C3)n1 ZINC000015004805 555849447 /nfs/dbraw/zinc/84/94/47/555849447.db2.gz HIFQDWKLOLHJDG-UGKGYDQZSA-N 1 1 496.036 4.171 50 0 JIAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000015023248 555864293 /nfs/dbraw/zinc/86/42/93/555864293.db2.gz CYRHMXCKSGVZIU-ZBLYBZFDSA-N 1 1 455.583 4.413 50 0 JIAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000015023248 555864295 /nfs/dbraw/zinc/86/42/95/555864295.db2.gz CYRHMXCKSGVZIU-ZBLYBZFDSA-N 1 1 455.583 4.413 50 0 JIAAMO COc1cccc(CCNC(=O)[C@H]2CC23CC[NH+](Cc2cc(OC)c(OC)cc2Cl)CC3)c1 ZINC000012100167 555907665 /nfs/dbraw/zinc/90/76/65/555907665.db2.gz WNVDRHJJDLCJPP-OAQYLSRUSA-N 1 1 473.013 4.327 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4cc(C)cc(C)c4)C3)n2)cc1OC ZINC000015726242 555963976 /nfs/dbraw/zinc/96/39/76/555963976.db2.gz FDIAASSFWLULAF-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4cc(C)cc(C)c4)C3)n2)cc1OC ZINC000015726242 555963978 /nfs/dbraw/zinc/96/39/78/555963978.db2.gz FDIAASSFWLULAF-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012376843 555964793 /nfs/dbraw/zinc/96/47/93/555964793.db2.gz JYLCQQMBFTUJAD-UHFFFAOYSA-N 1 1 464.631 4.246 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)n2)cc1OC ZINC000015726467 555965207 /nfs/dbraw/zinc/96/52/07/555965207.db2.gz LTUBYMHSLDEBBX-UHFFFAOYSA-N 1 1 450.539 4.221 50 0 JIAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1cc(Cl)ccc1Cl ZINC000022911945 555967555 /nfs/dbraw/zinc/96/75/55/555967555.db2.gz WZRDQRQLXRZCOC-UHFFFAOYSA-N 1 1 469.800 4.232 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022919030 555972859 /nfs/dbraw/zinc/97/28/59/555972859.db2.gz XINGYKQBNKYCGZ-MRXNPFEDSA-N 1 1 471.907 4.262 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022928483 555979392 /nfs/dbraw/zinc/97/93/92/555979392.db2.gz MMLZOHRQCQHDQG-KNQAVFIVSA-N 1 1 464.635 4.011 50 0 JIAAMO S=c1n(CN2CC[NH+](Cc3ccsc3)CC2)nc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000023042809 556001721 /nfs/dbraw/zinc/00/17/21/556001721.db2.gz KEZJLLYQAZWTCL-SFHVURJKSA-N 1 1 461.682 4.158 50 0 JIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)CC2)cc1 ZINC000023245823 556033720 /nfs/dbraw/zinc/03/37/20/556033720.db2.gz DSVGSNSXAYAPKZ-HHHXNRCGSA-N 1 1 470.569 4.498 50 0 JIAAMO Cc1ccc2c(c1)cc(C[NH+]1CCN(Cc3ccccn3)CC1)c(=O)n2Cc1cccc(F)c1 ZINC000023361685 556049288 /nfs/dbraw/zinc/04/92/88/556049288.db2.gz WEDISCVRPIUYSE-UHFFFAOYSA-N 1 1 456.565 4.210 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)C(=O)c2ccccc2)cc1 ZINC000012564380 556060138 /nfs/dbraw/zinc/06/01/38/556060138.db2.gz MPZWZQXPEIPROY-AHKZPQOWSA-N 1 1 469.585 4.485 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016011784 556110618 /nfs/dbraw/zinc/11/06/18/556110618.db2.gz UUOSSWBURFOJPQ-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012389 556111347 /nfs/dbraw/zinc/11/13/47/556111347.db2.gz WOJQGWYAOPQPQU-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012389 556111350 /nfs/dbraw/zinc/11/13/50/556111350.db2.gz WOJQGWYAOPQPQU-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c(=O)n1Cc1ccccn1 ZINC000024023036 556116677 /nfs/dbraw/zinc/11/66/77/556116677.db2.gz WOGDTJPGLRBCCQ-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO COC(=O)c1sc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)c(C(=O)OC)c1C ZINC000012918261 556136983 /nfs/dbraw/zinc/13/69/83/556136983.db2.gz GMJVSMLLJJCGRM-SFHVURJKSA-N 1 1 458.561 4.009 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(I)cc1 ZINC000012922278 556140794 /nfs/dbraw/zinc/14/07/94/556140794.db2.gz NNLSLSVPUYPVHB-GOSISDBHSA-N 1 1 478.330 4.228 50 0 JIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(I)cc1 ZINC000012922278 556140797 /nfs/dbraw/zinc/14/07/97/556140797.db2.gz NNLSLSVPUYPVHB-GOSISDBHSA-N 1 1 478.330 4.228 50 0 JIAAMO COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000016891223 556172487 /nfs/dbraw/zinc/17/24/87/556172487.db2.gz YFNWSCBRLHJMDS-KBMIEXCESA-N 1 1 495.645 4.456 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025036541 556172923 /nfs/dbraw/zinc/17/29/23/556172923.db2.gz KHDURPIDZNJOFO-LBPRGKRZSA-N 1 1 455.971 4.326 50 0 JIAAMO COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccccn3)[NH+]3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000016993474 556197530 /nfs/dbraw/zinc/19/75/30/556197530.db2.gz YPUNOZRBYFKHQM-GDLZYMKVSA-N 1 1 496.611 4.226 50 0 JIAAMO O=C(C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1)N1CCCC1 ZINC000013006115 556197824 /nfs/dbraw/zinc/19/78/24/556197824.db2.gz IZIJOIRFCLEANX-UHFFFAOYSA-N 1 1 477.008 4.326 50 0 JIAAMO O=C(C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1)N1CCCC1 ZINC000013006115 556197825 /nfs/dbraw/zinc/19/78/25/556197825.db2.gz IZIJOIRFCLEANX-UHFFFAOYSA-N 1 1 477.008 4.326 50 0 JIAAMO Cc1cc(O)c([C@@H](c2ccccn2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993609 556197998 /nfs/dbraw/zinc/19/79/98/556197998.db2.gz BDLSVUPPEWWIFT-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO CCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000017045711 556211098 /nfs/dbraw/zinc/21/10/98/556211098.db2.gz CWUPAYXEUIJXNS-SXOMAYOGSA-N 1 1 466.585 4.111 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@H](O)COCc1ccc3c(c1)OCO3)CC2 ZINC000025661245 556228616 /nfs/dbraw/zinc/22/86/16/556228616.db2.gz UMLPUBLNBXHPFF-AFMDSPMNSA-N 1 1 483.586 4.019 50 0 JIAAMO CCOC(=O)N1CCC(Nc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)CC1 ZINC000013040431 556243592 /nfs/dbraw/zinc/24/35/92/556243592.db2.gz GTLUWYKPERRTIQ-UHFFFAOYSA-N 1 1 457.644 4.445 50 0 JIAAMO COC(=O)c1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000019312332 556339900 /nfs/dbraw/zinc/33/99/00/556339900.db2.gz FDIBHDXOTQQTTN-QFIPXVFZSA-N 1 1 467.591 4.334 50 0 JIAAMO COc1ccc2oc(=O)c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000019733182 556363201 /nfs/dbraw/zinc/36/32/01/556363201.db2.gz LLXXAVCIEHTGIY-UHFFFAOYSA-N 1 1 454.526 4.349 50 0 JIAAMO CCn1c(=O)c2ccccc2nc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019810284 556380955 /nfs/dbraw/zinc/38/09/55/556380955.db2.gz KAPZTXDTNIEJCL-UHFFFAOYSA-N 1 1 498.652 4.442 50 0 JIAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032772717 556490404 /nfs/dbraw/zinc/49/04/04/556490404.db2.gz ZKZPGQFMXONMKY-IFMALSPDSA-N 1 1 456.608 4.254 50 0 JIAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032772717 556490407 /nfs/dbraw/zinc/49/04/07/556490407.db2.gz ZKZPGQFMXONMKY-IFMALSPDSA-N 1 1 456.608 4.254 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953149 556568391 /nfs/dbraw/zinc/56/83/91/556568391.db2.gz PANVIROQIYJRKW-UHFFFAOYSA-N 1 1 469.564 4.378 50 0 JIAAMO CC(C)c1nc(C(=O)N2CCOc3ccc(C[NH+]4CCN(c5ccccn5)CC4)cc3C2)cs1 ZINC000011872535 562957847 /nfs/dbraw/zinc/95/78/47/562957847.db2.gz AKPFULDKCROUST-UHFFFAOYSA-N 1 1 477.634 4.019 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000036380487 563127597 /nfs/dbraw/zinc/12/75/97/563127597.db2.gz GUUPDMWWFXFUDR-NOZRDPDXSA-N 1 1 467.569 4.359 50 0 JIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000057286274 569595587 /nfs/dbraw/zinc/59/55/87/569595587.db2.gz AJWXFJIZMMAYBU-XMMPIXPASA-N 1 1 469.632 4.240 50 0 JIAAMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000057312688 569596327 /nfs/dbraw/zinc/59/63/27/569596327.db2.gz PZMDVARQCSESEH-RUZDIDTESA-N 1 1 459.546 4.431 50 0 JIAAMO CCn1c(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000062681093 569614267 /nfs/dbraw/zinc/61/42/67/569614267.db2.gz ODCOWOVLZRLFHB-OAHLLOKOSA-N 1 1 497.448 4.235 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(C)cc3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000063584619 569615553 /nfs/dbraw/zinc/61/55/53/569615553.db2.gz WVWLVNSUFVSCCC-UHFFFAOYSA-N 1 1 495.668 4.381 50 0 JIAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccoc2)CC1 ZINC000034683984 569644819 /nfs/dbraw/zinc/64/48/19/569644819.db2.gz VZEGTTACDZEIHD-UHFFFAOYSA-N 1 1 458.511 4.007 50 0 JIAAMO COc1ccc(N(C2CC[NH+](Cc3ccoc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683940 569644844 /nfs/dbraw/zinc/64/48/44/569644844.db2.gz KPVYCOMBYXJYHQ-UHFFFAOYSA-N 1 1 456.564 4.157 50 0 JIAAMO C[NH+]1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)/C=C/c3ccccc3)c2)CC1 ZINC000034685504 569644921 /nfs/dbraw/zinc/64/49/21/569644921.db2.gz CLTJNEKVBOQGFU-FOCLMDBBSA-N 1 1 453.586 4.250 50 0 JIAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1)Cc1ccccc1 ZINC000065023704 569649969 /nfs/dbraw/zinc/64/99/69/569649969.db2.gz LYGKEMUIJQKWFX-VWLOTQADSA-N 1 1 457.622 4.388 50 0 JIAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000034708049 569650285 /nfs/dbraw/zinc/65/02/85/569650285.db2.gz VTELYDCFPMQIBQ-SKCUWOTOSA-N 1 1 492.616 4.477 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCC1)Cc1ccccc1 ZINC000065080005 569659433 /nfs/dbraw/zinc/65/94/33/569659433.db2.gz WHZQZGUEPDNGBC-UHFFFAOYSA-N 1 1 460.578 4.220 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787211 569659497 /nfs/dbraw/zinc/65/94/97/569659497.db2.gz ZVTAQSQUYSHWSG-SANMLTNESA-N 1 1 465.663 4.337 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787211 569659498 /nfs/dbraw/zinc/65/94/98/569659498.db2.gz ZVTAQSQUYSHWSG-SANMLTNESA-N 1 1 465.663 4.337 50 0 JIAAMO CC[N@H+](C[C@H](O)c1cccc(O)c1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000034850683 569667147 /nfs/dbraw/zinc/66/71/47/569667147.db2.gz FBXDKYVJRDKXJZ-DQEYMECFSA-N 1 1 457.517 4.193 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919588 569672104 /nfs/dbraw/zinc/67/21/04/569672104.db2.gz NDGPVDPZUZRJNO-QHCPKHFHSA-N 1 1 498.693 4.169 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)C[C@@H]2C)c1 ZINC000035404154 569691611 /nfs/dbraw/zinc/69/16/11/569691611.db2.gz QHYBIHBIGGOEIS-QHCPKHFHSA-N 1 1 455.606 4.007 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(-c5ccccc5)c4)CC3)C[C@@H]2C)c1 ZINC000035404154 569691612 /nfs/dbraw/zinc/69/16/12/569691612.db2.gz QHYBIHBIGGOEIS-QHCPKHFHSA-N 1 1 455.606 4.007 50 0 JIAAMO O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068739906 569691945 /nfs/dbraw/zinc/69/19/45/569691945.db2.gz QVWYRRHMUIOJGR-LJQANCHMSA-N 1 1 496.702 4.268 50 0 JIAAMO COc1cccc([C@H](CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)[NH+](C)C)c1 ZINC000069531639 569693272 /nfs/dbraw/zinc/69/32/72/569693272.db2.gz FNHRCBJDDFQDPX-NRFANRHFSA-N 1 1 488.510 4.118 50 0 JIAAMO Cc1ccccc1NC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC000069947137 569694112 /nfs/dbraw/zinc/69/41/12/569694112.db2.gz VARHSVQNXUIJSV-UHFFFAOYSA-N 1 1 458.488 4.110 50 0 JIAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000069948268 569694123 /nfs/dbraw/zinc/69/41/23/569694123.db2.gz PSUFDPBLNQYAOH-ZDUSSCGKSA-N 1 1 453.406 4.222 50 0 JIAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000069948268 569694124 /nfs/dbraw/zinc/69/41/24/569694124.db2.gz PSUFDPBLNQYAOH-ZDUSSCGKSA-N 1 1 453.406 4.222 50 0 JIAAMO O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871472 569718687 /nfs/dbraw/zinc/71/86/87/569718687.db2.gz RHMBWQDSBGBJGS-AHWVRZQESA-N 1 1 494.561 4.322 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000035911150 569726354 /nfs/dbraw/zinc/72/63/54/569726354.db2.gz UTYDTZKIBVFJKN-AOYPEHQESA-N 1 1 463.528 4.475 50 0 JIAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)c2)CC1 ZINC000095546810 569727187 /nfs/dbraw/zinc/72/71/87/569727187.db2.gz WXCGCCAFJKJDEF-UHFFFAOYSA-N 1 1 488.592 4.148 50 0 JIAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccc(Oc3ccc4c(c3)OCO4)nc1)CC2 ZINC000096223119 569739824 /nfs/dbraw/zinc/73/98/24/569739824.db2.gz WQSGWUJKLHCRFI-UHFFFAOYSA-N 1 1 477.517 4.007 50 0 JIAAMO O=C(CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)Nc1cc2c(cc1Cl)OCCO2 ZINC000096941535 569743979 /nfs/dbraw/zinc/74/39/79/569743979.db2.gz QJFBWRYBJANOSX-UHFFFAOYSA-N 1 1 483.918 4.276 50 0 JIAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036313367 569760761 /nfs/dbraw/zinc/76/07/61/569760761.db2.gz WRZUQQAWDOLPEO-GMAHTHKFSA-N 1 1 497.611 4.496 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000036341233 569764351 /nfs/dbraw/zinc/76/43/51/569764351.db2.gz FFPKLDYMJVKSEI-LJAQVGFWSA-N 1 1 498.627 4.199 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344794 569767262 /nfs/dbraw/zinc/76/72/62/569767262.db2.gz DTCGMNNVVIKUBA-BWKNWUBXSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344794 569767263 /nfs/dbraw/zinc/76/72/63/569767263.db2.gz DTCGMNNVVIKUBA-BWKNWUBXSA-N 1 1 465.569 4.395 50 0 JIAAMO COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036345262 569767813 /nfs/dbraw/zinc/76/78/13/569767813.db2.gz DCPYOPOFZSYLIV-HHHXNRCGSA-N 1 1 468.601 4.191 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036345985 569768630 /nfs/dbraw/zinc/76/86/30/569768630.db2.gz CABBBUASQFYROY-QFIPXVFZSA-N 1 1 471.573 4.346 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036345985 569768631 /nfs/dbraw/zinc/76/86/31/569768631.db2.gz CABBBUASQFYROY-QFIPXVFZSA-N 1 1 471.573 4.346 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036346106 569768938 /nfs/dbraw/zinc/76/89/38/569768938.db2.gz QVFDFBGCPBRDHC-DEOSSOPVSA-N 1 1 494.611 4.017 50 0 JIAAMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000036408729 569775606 /nfs/dbraw/zinc/77/56/06/569775606.db2.gz PZGOCFCTIVLPKG-VWLOTQADSA-N 1 1 463.603 4.065 50 0 JIAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)NC1CC1 ZINC000037384467 569785616 /nfs/dbraw/zinc/78/56/16/569785616.db2.gz QRQNLRLZCTWALY-UHFFFAOYSA-N 1 1 494.039 4.148 50 0 JIAAMO CC[NH+]1CCN(C(=O)CCN(C(=O)c2csc(Nc3cc(Cl)ccc3Cl)n2)C2CC2)CC1 ZINC000037427391 569789455 /nfs/dbraw/zinc/78/94/55/569789455.db2.gz FZAFOPATRDCYDY-UHFFFAOYSA-N 1 1 496.464 4.352 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343264 569793625 /nfs/dbraw/zinc/79/36/25/569793625.db2.gz ZKZUDSGOXJNPSH-FVJVTNMWSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1cccnc1 ZINC000038545856 569802437 /nfs/dbraw/zinc/80/24/37/569802437.db2.gz YOTDNTSDEONCFC-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO CCC1=C(C(=O)OC)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103296455 569834327 /nfs/dbraw/zinc/83/43/27/569834327.db2.gz ZQUSJHMRNYUPKC-XMMPIXPASA-N 1 1 482.650 4.112 50 0 JIAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032380 569842990 /nfs/dbraw/zinc/84/29/90/569842990.db2.gz DZNZSOLVLLWTBK-UHFFFAOYSA-N 1 1 450.564 4.247 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COC(C)C)C(C)C)c1 ZINC000105004022 569849582 /nfs/dbraw/zinc/84/95/82/569849582.db2.gz JQUBCUSRDNTMFA-QPPBQGQZSA-N 1 1 474.667 4.058 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012295 569851250 /nfs/dbraw/zinc/85/12/50/569851250.db2.gz RKSYOYGPBUFWBS-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012295 569851251 /nfs/dbraw/zinc/85/12/51/569851251.db2.gz RKSYOYGPBUFWBS-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000105795216 569853495 /nfs/dbraw/zinc/85/34/95/569853495.db2.gz YPJRDMQHTFIOQP-SCYDXJQRSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000105795216 569853496 /nfs/dbraw/zinc/85/34/96/569853496.db2.gz YPJRDMQHTFIOQP-SCYDXJQRSA-N 1 1 490.774 4.386 50 0 JIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000106155171 569853858 /nfs/dbraw/zinc/85/38/58/569853858.db2.gz AJDJEASCEUBGGS-GGAORHGYSA-N 1 1 454.014 4.221 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000107174737 569856327 /nfs/dbraw/zinc/85/63/27/569856327.db2.gz VZHMACPGRZDTGC-ORQYLMBXSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000107174737 569856328 /nfs/dbraw/zinc/85/63/28/569856328.db2.gz VZHMACPGRZDTGC-ORQYLMBXSA-N 1 1 489.881 4.098 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000169678406 569869203 /nfs/dbraw/zinc/86/92/03/569869203.db2.gz QZRYXBNOHVKRHD-ZJSXRUAMSA-N 1 1 492.657 4.138 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COC(C)(C)C ZINC000169680374 569870476 /nfs/dbraw/zinc/87/04/76/569870476.db2.gz XWJZIMQTDBEEQJ-IFMALSPDSA-N 1 1 474.667 4.059 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 ZINC000169773552 569872448 /nfs/dbraw/zinc/87/24/48/569872448.db2.gz PRUGRARUEHCLGD-SXOMAYOGSA-N 1 1 493.648 4.169 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169774695 569872476 /nfs/dbraw/zinc/87/24/76/569872476.db2.gz SBQFQZWQNFOQSX-SXOMAYOGSA-N 1 1 493.648 4.169 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230071004 570044449 /nfs/dbraw/zinc/04/44/49/570044449.db2.gz UNMKVPWXRYEYRT-YWWLGCSWSA-N 1 1 499.677 4.447 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245245139 570058724 /nfs/dbraw/zinc/05/87/24/570058724.db2.gz AEFPDQHBOGSGGK-ORQYLMBXSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245245139 570058726 /nfs/dbraw/zinc/05/87/26/570058726.db2.gz AEFPDQHBOGSGGK-ORQYLMBXSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246850 570059108 /nfs/dbraw/zinc/05/91/08/570059108.db2.gz PRQCOHVPGGEQMN-VMIQBGAZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246850 570059109 /nfs/dbraw/zinc/05/91/09/570059109.db2.gz PRQCOHVPGGEQMN-VMIQBGAZSA-N 1 1 490.774 4.386 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000245330378 570066822 /nfs/dbraw/zinc/06/68/22/570066822.db2.gz XXPALVIIUXDTOZ-UQBPGWFLSA-N 1 1 453.652 4.191 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000245330378 570066823 /nfs/dbraw/zinc/06/68/23/570066823.db2.gz XXPALVIIUXDTOZ-UQBPGWFLSA-N 1 1 453.652 4.191 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247925752 570071384 /nfs/dbraw/zinc/07/13/84/570071384.db2.gz PCDJELKRSHFNHY-SCYDXJQRSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247925752 570071385 /nfs/dbraw/zinc/07/13/85/570071385.db2.gz PCDJELKRSHFNHY-SCYDXJQRSA-N 1 1 489.881 4.098 50 0 JIAAMO CC(C)c1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C)CC2)CC1 ZINC000248091343 570073789 /nfs/dbraw/zinc/07/37/89/570073789.db2.gz VPKGQJAUIMXMAQ-UHFFFAOYSA-N 1 1 459.638 4.258 50 0 JIAAMO COc1ccccc1[C@H]1CN(CC(=O)N(C)C[C@H]2CC[N@@H+](CC(C)C)C2)Cc2ccccc2O1 ZINC000248113439 570074262 /nfs/dbraw/zinc/07/42/62/570074262.db2.gz KTMOLJJWWDOPEM-AJTFRIOCSA-N 1 1 465.638 4.067 50 0 JIAAMO CCCC[NH+]1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248216773 570076339 /nfs/dbraw/zinc/07/63/39/570076339.db2.gz GPPNTZVMZURTSO-JOCHJYFZSA-N 1 1 477.628 4.321 50 0 JIAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000252511691 570082738 /nfs/dbraw/zinc/08/27/38/570082738.db2.gz JSJZDSZDDKQOEM-OKDASEJXSA-N 1 1 483.056 4.324 50 0 JIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2cc(Br)ccc21 ZINC000263586350 570171783 /nfs/dbraw/zinc/17/17/83/570171783.db2.gz SWFURVWNOVMIFN-PZJWPPBQSA-N 1 1 462.432 4.143 50 0 JIAAMO CCOc1ccc(-n2nc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3c2=O)cc1 ZINC000002943912 194175567 /nfs/dbraw/zinc/17/55/67/194175567.db2.gz DJUJKXFNJSXAPG-UHFFFAOYSA-N 1 1 470.573 4.036 50 0 JIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)c(Cl)c2)C1 ZINC000003670388 194358002 /nfs/dbraw/zinc/35/80/02/194358002.db2.gz WZDQLFMAWDYZPE-VOIUYBSRSA-N 1 1 491.419 4.429 50 0 JIAAMO COc1ccccc1[C@@H](CNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl)[NH+]1CCCC1 ZINC000009731532 194930588 /nfs/dbraw/zinc/93/05/88/194930588.db2.gz UKUFGQLOWZNTLB-HXUWFJFHSA-N 1 1 464.957 4.020 50 0 JIAAMO COc1ccc([C@H](NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c2ccccc2)cc1 ZINC000012691969 195088918 /nfs/dbraw/zinc/08/89/18/195088918.db2.gz XXPDGYOPMGWZIN-HHHXNRCGSA-N 1 1 457.574 4.252 50 0 JIAAMO O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000012821641 195149596 /nfs/dbraw/zinc/14/95/96/195149596.db2.gz PWYUNWICUSOXRK-UHFFFAOYSA-N 1 1 499.036 4.025 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)C(C)C)c1 ZINC000012871748 195163793 /nfs/dbraw/zinc/16/37/93/195163793.db2.gz UNLOMFTYUAHFBD-JKSBSHDWSA-N 1 1 488.654 4.031 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)C(C)C)c1 ZINC000012871748 195163795 /nfs/dbraw/zinc/16/37/95/195163795.db2.gz UNLOMFTYUAHFBD-JKSBSHDWSA-N 1 1 488.654 4.031 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)n(Cc3ccccc3)c21 ZINC000020774876 195223720 /nfs/dbraw/zinc/22/37/20/195223720.db2.gz IWKOBMFDDZMHNI-QFIPXVFZSA-N 1 1 461.610 4.202 50 0 JIAAMO Cc1c(C(=O)N2CCC([NH+]3CCOCC3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000020919360 195247074 /nfs/dbraw/zinc/24/70/74/195247074.db2.gz CJODMNRQEFACCS-UHFFFAOYSA-N 1 1 469.655 4.239 50 0 JIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCCCCCC1 ZINC000020991998 195262466 /nfs/dbraw/zinc/26/24/66/195262466.db2.gz WNUUQDXZAGAAQF-UKILVPOCSA-N 1 1 462.078 4.436 50 0 JIAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)N1CCCCCCC1 ZINC000020991998 195262467 /nfs/dbraw/zinc/26/24/67/195262467.db2.gz WNUUQDXZAGAAQF-UKILVPOCSA-N 1 1 462.078 4.436 50 0 JIAAMO Cc1cccc(CN2CC=C(c3noc(CCC(=O)N4CCC([NH+]5CCCCC5)CC4)n3)CC2)c1 ZINC000021944982 195340364 /nfs/dbraw/zinc/34/03/64/195340364.db2.gz UBCWVXCHDCRWMO-UHFFFAOYSA-N 1 1 477.653 4.077 50 0 JIAAMO O=C(COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000058064426 195363780 /nfs/dbraw/zinc/36/37/80/195363780.db2.gz LADNSMACTKRPCP-AREMUKBSSA-N 1 1 456.030 4.076 50 0 JIAAMO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000058085839 195364514 /nfs/dbraw/zinc/36/45/14/195364514.db2.gz HTDOEWUNEUJYTI-YADHBBJMSA-N 1 1 468.450 4.405 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(C)cc3)cc2)CC1 ZINC000095927256 129936585 /nfs/dbraw/zinc/93/65/85/129936585.db2.gz JVNSVKFINAFQLH-DQSJHHFOSA-N 1 1 476.646 4.042 50 0 JIAAMO CC(=O)c1cc(C(=O)NCc2nc(-c3cccc(NC(=O)[C@H]4CCC[N@H+](C)C4)c3)oc2C)cs1 ZINC000014881362 518269945 /nfs/dbraw/zinc/26/99/45/518269945.db2.gz LSXLLHSZELZNGM-SFHVURJKSA-N 1 1 480.590 4.124 50 0 JIAAMO CC(C)CNC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(C)(C)C)n2)cc1 ZINC000036065131 519741448 /nfs/dbraw/zinc/74/14/48/519741448.db2.gz YFEJSPCWEZWBMH-UHFFFAOYSA-N 1 1 455.672 4.204 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000036304692 520091989 /nfs/dbraw/zinc/09/19/89/520091989.db2.gz YKBJEQMGFMFHRF-QHCPKHFHSA-N 1 1 453.583 4.127 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000036304692 520091993 /nfs/dbraw/zinc/09/19/93/520091993.db2.gz YKBJEQMGFMFHRF-QHCPKHFHSA-N 1 1 453.583 4.127 50 0 JIAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)/C=C/c1ccc(OCc2csc(C)n2)cc1 ZINC000048343344 520675409 /nfs/dbraw/zinc/67/54/09/520675409.db2.gz BXSIMFAFTDQNNK-UQNNOOFXSA-N 1 1 485.650 4.310 50 0 JIAAMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000021880552 521051612 /nfs/dbraw/zinc/05/16/12/521051612.db2.gz JNUGHSMEFXLPLC-UHFFFAOYSA-N 1 1 466.538 4.003 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2oc3c(c2C)-c2nn(Cc4cccc(Cl)c4)cc2CC3)CC1 ZINC000020490168 521682410 /nfs/dbraw/zinc/68/24/10/521682410.db2.gz OVMZJLZOCTYPAT-UHFFFAOYSA-N 1 1 496.055 4.009 50 0 JIAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@H](O)Cc1ccccc1 ZINC000036206586 521694703 /nfs/dbraw/zinc/69/47/03/521694703.db2.gz KMXUKVWHXIYQAK-LJQANCHMSA-N 1 1 463.603 4.476 50 0 JIAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@H](O)Cc1ccccc1 ZINC000036206586 521694706 /nfs/dbraw/zinc/69/47/06/521694706.db2.gz KMXUKVWHXIYQAK-LJQANCHMSA-N 1 1 463.603 4.476 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2Cl)CC1 ZINC000016319840 521698198 /nfs/dbraw/zinc/69/81/98/521698198.db2.gz IQRSHVYKHQRFAL-UHFFFAOYSA-N 1 1 452.780 4.262 50 0 JIAAMO CCN1C[C@H](C[N@@H+](C)Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1=O ZINC000012313901 521729701 /nfs/dbraw/zinc/72/97/01/521729701.db2.gz SBBIRZKKPJLVBF-IBGZPJMESA-N 1 1 450.558 4.296 50 0 JIAAMO COC(=O)c1c(OCc2cccs2)cc(=O)n2c1CC[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014989353 521783488 /nfs/dbraw/zinc/78/34/88/521783488.db2.gz IGFZEAXUZDIWBQ-ICSRJNTNSA-N 1 1 468.619 4.126 50 0 JIAAMO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([N@@H+](C)Cc1nc3ccccc3s1)CC2 ZINC000014741454 521929610 /nfs/dbraw/zinc/92/96/10/521929610.db2.gz LIKOQDCUBJADEC-IBGZPJMESA-N 1 1 459.619 4.084 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@H+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014966046 522018874 /nfs/dbraw/zinc/01/88/74/522018874.db2.gz IXTPMRVSACEDBJ-UHFFFAOYSA-N 1 1 497.595 4.414 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697662 522065347 /nfs/dbraw/zinc/06/53/47/522065347.db2.gz YEGJMYNMKDWJKF-VWLOTQADSA-N 1 1 485.987 4.213 50 0 JIAAMO COC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036310137 522399407 /nfs/dbraw/zinc/39/94/07/522399407.db2.gz FHHWNGOJEJTRGU-UPVQGACJSA-N 1 1 488.694 4.225 50 0 JIAAMO COC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000036310135 522400475 /nfs/dbraw/zinc/40/04/75/522400475.db2.gz FHHWNGOJEJTRGU-LADGPHEKSA-N 1 1 488.694 4.225 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C(C)=O)CCCCC2)cc(OC)c1 ZINC000033435679 522645983 /nfs/dbraw/zinc/64/59/83/522645983.db2.gz WREUVRAFUVFBKL-OFVILXPXSA-N 1 1 471.642 4.458 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260171 523019314 /nfs/dbraw/zinc/01/93/14/523019314.db2.gz NFSWPSOKBXXCEW-QFIPXVFZSA-N 1 1 496.059 4.042 50 0 JIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020388100 523121824 /nfs/dbraw/zinc/12/18/24/523121824.db2.gz JTKGZENPCGLGFO-XUZZJYLKSA-N 1 1 490.570 4.066 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020388100 523121834 /nfs/dbraw/zinc/12/18/34/523121834.db2.gz JTKGZENPCGLGFO-XUZZJYLKSA-N 1 1 490.570 4.066 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036304327 523738755 /nfs/dbraw/zinc/73/87/55/523738755.db2.gz QJBPNGKYDQFSLM-HSZRJFAPSA-N 1 1 483.609 4.216 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036304327 523738763 /nfs/dbraw/zinc/73/87/63/523738763.db2.gz QJBPNGKYDQFSLM-HSZRJFAPSA-N 1 1 483.609 4.216 50 0 JIAAMO C[NH+]1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000033086092 523929027 /nfs/dbraw/zinc/92/90/27/523929027.db2.gz FLNNWOVNJXPUGU-UHFFFAOYSA-N 1 1 453.546 4.213 50 0 JIAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccc(C)cc2)C1 ZINC000036343643 524371434 /nfs/dbraw/zinc/37/14/34/524371434.db2.gz HOGVCNXQJALANI-MUUNZHRXSA-N 1 1 482.628 4.499 50 0 JIAAMO Cc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c1 ZINC000036064026 524382097 /nfs/dbraw/zinc/38/20/97/524382097.db2.gz WZCKLCINPJAGSE-UHFFFAOYSA-N 1 1 458.562 4.182 50 0 JIAAMO Cc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c1 ZINC000036064026 524382109 /nfs/dbraw/zinc/38/21/09/524382109.db2.gz WZCKLCINPJAGSE-UHFFFAOYSA-N 1 1 458.562 4.182 50 0 JIAAMO COc1ccccc1NC(=O)N1CC[NH+](CCn2c(-c3ccc(C)cc3)nc3cccnc32)CC1 ZINC000033139719 524611220 /nfs/dbraw/zinc/61/12/20/524611220.db2.gz XTWFJZQLNVSUFY-UHFFFAOYSA-N 1 1 470.577 4.265 50 0 JIAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000022786108 524955791 /nfs/dbraw/zinc/95/57/91/524955791.db2.gz DQDJACXFMWZMEX-QFIPXVFZSA-N 1 1 459.590 4.386 50 0 JIAAMO Cc1ccccc1C[NH+]1CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000016737878 525143124 /nfs/dbraw/zinc/14/31/24/525143124.db2.gz WAARXYXQUQQCRS-UHFFFAOYSA-N 1 1 473.404 4.260 50 0 JIAAMO Cc1[nH]c2ccccc2c1[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000012436954 525448081 /nfs/dbraw/zinc/44/80/81/525448081.db2.gz IWSRKBMDBNICSK-UIOOFZCWSA-N 1 1 465.553 4.405 50 0 JIAAMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022785082 525587232 /nfs/dbraw/zinc/58/72/32/525587232.db2.gz WWOWRMWJSXVSIV-PXDATVDWSA-N 1 1 469.676 4.282 50 0 JIAAMO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014879869 525635569 /nfs/dbraw/zinc/63/55/69/525635569.db2.gz XKQCDFBLYUCJIA-HXUWFJFHSA-N 1 1 458.591 4.094 50 0 JIAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)Cn2nccc2C)C3)s1 ZINC000012280366 525740567 /nfs/dbraw/zinc/74/05/67/525740567.db2.gz MQHNJPHXDHVEPT-NRFANRHFSA-N 1 1 494.661 4.370 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NC2CCCCC2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456381 525821231 /nfs/dbraw/zinc/82/12/31/525821231.db2.gz MHPUDSQILQEBNC-UHFFFAOYSA-N 1 1 470.617 4.226 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NC2CCCCC2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456381 525821242 /nfs/dbraw/zinc/82/12/42/525821242.db2.gz MHPUDSQILQEBNC-UHFFFAOYSA-N 1 1 470.617 4.226 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146960 525921607 /nfs/dbraw/zinc/92/16/07/525921607.db2.gz KBPMFSWVNOWDOG-RSXGOPAZSA-N 1 1 460.574 4.439 50 0 JIAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)CC1 ZINC000022133941 526094489 /nfs/dbraw/zinc/09/44/89/526094489.db2.gz NWDOEXMOHFWJKR-KRWDZBQOSA-N 1 1 471.627 4.287 50 0 JIAAMO CSc1cccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000033277337 526116356 /nfs/dbraw/zinc/11/63/56/526116356.db2.gz CSCACEXOWHWELG-UHFFFAOYSA-N 1 1 462.619 4.286 50 0 JIAAMO CSc1cccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000033277337 526116368 /nfs/dbraw/zinc/11/63/68/526116368.db2.gz CSCACEXOWHWELG-UHFFFAOYSA-N 1 1 462.619 4.286 50 0 JIAAMO COc1cccc(NCc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000021880745 526210626 /nfs/dbraw/zinc/21/06/26/526210626.db2.gz YPTZMAHIHNEYLU-UHFFFAOYSA-N 1 1 460.607 4.272 50 0 JIAAMO O=C([C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014951039 526460641 /nfs/dbraw/zinc/46/06/41/526460641.db2.gz IIIMLGKGLFETOV-VWLOTQADSA-N 1 1 492.063 4.345 50 0 JIAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021805260 526492151 /nfs/dbraw/zinc/49/21/51/526492151.db2.gz XMUPUAWATDTBFP-FQEVSTJZSA-N 1 1 453.926 4.333 50 0 JIAAMO Cc1sc2nc(C[N@@H+](C[C@H](O)COCc3ccccc3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036204639 526890094 /nfs/dbraw/zinc/89/00/94/526890094.db2.gz UJNFASIJFSPMDQ-NRFANRHFSA-N 1 1 455.624 4.314 50 0 JIAAMO Fc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=S)N3c3ccn(Cc4ccccc4F)n3)C2)cc1 ZINC000002803112 554354565 /nfs/dbraw/zinc/35/45/65/554354565.db2.gz FXQFSJKJTUXWGU-IBGZPJMESA-N 1 1 466.561 4.459 50 0 JIAAMO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000006161521 554513624 /nfs/dbraw/zinc/51/36/24/554513624.db2.gz QOQAHUVKXPLCKV-UHFFFAOYSA-N 1 1 471.888 4.298 50 0 JIAAMO Cc1cc(O)c2c(C)c(CC(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c(=O)oc2c1 ZINC000008764810 554665341 /nfs/dbraw/zinc/66/53/41/554665341.db2.gz YDOSEDYDFVVGHF-OBRGVAJMSA-N 1 1 462.590 4.080 50 0 biogenic JIAAMO CCCC[N@@H+](CCCNC(=O)CN1c2cc(C)ccc2O[C@H](CC)C1=O)Cc1ccccc1 ZINC000008812250 554693530 /nfs/dbraw/zinc/69/35/30/554693530.db2.gz GLXKTTKQPMVOMP-XMMPIXPASA-N 1 1 451.611 4.308 50 0 JIAAMO CC(C)[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000008881148 554776290 /nfs/dbraw/zinc/77/62/90/554776290.db2.gz GLYDACRMUKQJMM-SANMLTNESA-N 1 1 465.594 4.012 50 0 JIAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[N@H+]1CCCC[C@@H]1C ZINC000008892238 554780320 /nfs/dbraw/zinc/78/03/20/554780320.db2.gz FDTBBRMHFHHBMK-ZDUSSCGKSA-N 1 1 451.361 4.417 50 0 JIAAMO COc1cccc([C@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)[NH+]2CCCC2)c1 ZINC000009130688 554930694 /nfs/dbraw/zinc/93/06/94/554930694.db2.gz HQHMHPCIJQYBTQ-NRFANRHFSA-N 1 1 464.957 4.020 50 0 JIAAMO CCOc1ccccc1CNCc1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000009265770 555041655 /nfs/dbraw/zinc/04/16/55/555041655.db2.gz MSZRMHBITGVYAT-UHFFFAOYSA-N 1 1 480.682 4.472 50 0 JIAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc2)cc1 ZINC000009467992 555246548 /nfs/dbraw/zinc/24/65/48/555246548.db2.gz WIJJLHDKQXVSHJ-UHFFFAOYSA-N 1 1 493.629 4.234 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000009514050 555304457 /nfs/dbraw/zinc/30/44/57/555304457.db2.gz ATVMIUGYYXTXLY-UNMCSNQZSA-N 1 1 482.506 4.316 50 0 JIAAMO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000009671871 555392661 /nfs/dbraw/zinc/39/26/61/555392661.db2.gz MQHNHGGVDLWLOL-WZJJSRHISA-N 1 1 481.662 4.489 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN1c2ccccc2Sc2ncccc2C1=O ZINC000009687856 555415449 /nfs/dbraw/zinc/41/54/49/555415449.db2.gz XQPGLYMKOBVUGI-LJQANCHMSA-N 1 1 452.624 4.354 50 0 JIAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)sc3c2c1 ZINC000009611187 555443085 /nfs/dbraw/zinc/44/30/85/555443085.db2.gz LKEZDQJDUSEMJH-UHFFFAOYSA-N 1 1 479.577 4.397 50 0 JIAAMO C[NH+]1CCN(c2ccccc2C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000009776972 555495448 /nfs/dbraw/zinc/49/54/48/555495448.db2.gz WMFPPLDCUNDZDZ-RRPNLBNLSA-N 1 1 451.570 4.158 50 0 JIAAMO COc1cc2nc(NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n3nc(-c4cccnc4)nc3c2cc1OC ZINC000009831163 555532814 /nfs/dbraw/zinc/53/28/14/555532814.db2.gz SNGIXAPKVCNPGP-CALCHBBNSA-N 1 1 461.570 4.032 50 0 JIAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2C)cc1 ZINC000009835796 555541065 /nfs/dbraw/zinc/54/10/65/555541065.db2.gz RGQHCJMKRPQVIE-KYVQNOJUSA-N 1 1 463.622 4.090 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000019944111 555562379 /nfs/dbraw/zinc/56/23/79/555562379.db2.gz LYRFUHQHRNFVRN-HXUWFJFHSA-N 1 1 479.024 4.229 50 0 JIAAMO Nc1nc(CN2CC[NH+](Cc3ccccc3)CC2)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000019944519 555562712 /nfs/dbraw/zinc/56/27/12/555562712.db2.gz MCAFXXUJCKQXED-UHFFFAOYSA-N 1 1 467.577 4.308 50 0 JIAAMO COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000020019083 555595330 /nfs/dbraw/zinc/59/53/30/555595330.db2.gz CJWAPKMDDKHJBD-GDLZYMKVSA-N 1 1 494.595 4.163 50 0 JIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000020109509 555645583 /nfs/dbraw/zinc/64/55/83/555645583.db2.gz PGNFEDJIEWHFLH-UKILVPOCSA-N 1 1 497.705 4.383 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(SC)cc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000020109509 555645585 /nfs/dbraw/zinc/64/55/85/555645585.db2.gz PGNFEDJIEWHFLH-UKILVPOCSA-N 1 1 497.705 4.383 50 0 JIAAMO CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4C[C@H]5CC[C@@H](C4)[N@@H+]5C)cc3n2)s1 ZINC000013959818 555662633 /nfs/dbraw/zinc/66/26/33/555662633.db2.gz RASUMYLYZWJACP-AGUYFDCRSA-N 1 1 463.529 4.394 50 0 JIAAMO CCN1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4CCCCCC4)ccc3n2)CC1 ZINC000020153586 555672689 /nfs/dbraw/zinc/67/26/89/555672689.db2.gz ZHSXCPIUPWETCZ-UHFFFAOYSA-N 1 1 468.715 4.238 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214629 555710285 /nfs/dbraw/zinc/71/02/85/555710285.db2.gz CRDPUDAOORRLLK-ATIYNZHBSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214629 555710289 /nfs/dbraw/zinc/71/02/89/555710289.db2.gz CRDPUDAOORRLLK-ATIYNZHBSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214629 555710291 /nfs/dbraw/zinc/71/02/91/555710291.db2.gz CRDPUDAOORRLLK-ATIYNZHBSA-N 1 1 477.605 4.443 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242796 555739586 /nfs/dbraw/zinc/73/95/86/555739586.db2.gz ZXZHKBALOLLGBT-VXJJZJMSSA-N 1 1 487.625 4.228 50 0 JIAAMO CCn1c2ccccc2c2sc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2c1=O ZINC000020286336 555754716 /nfs/dbraw/zinc/75/47/16/555754716.db2.gz YJFINPJUBOFMCD-UHFFFAOYSA-N 1 1 488.657 4.174 50 0 JIAAMO Cc1cccc(N2CC[N@@H+]([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000020441738 555791196 /nfs/dbraw/zinc/79/11/96/555791196.db2.gz FIUCLLFZQMWXMP-VEXUSMLFSA-N 1 1 462.059 4.449 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000011752859 555808862 /nfs/dbraw/zinc/80/88/62/555808862.db2.gz LYXSFLCWFCQCPE-XDNNPWBZSA-N 1 1 481.662 4.110 50 0 JIAAMO CCOC(=O)c1nn(CCc2scnc2C)c2c1C[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014536902 555826143 /nfs/dbraw/zinc/82/61/43/555826143.db2.gz GFINVRNUFRXISA-QGZVFWFLSA-N 1 1 496.633 4.033 50 0 JIAAMO CCOC(=O)c1nn(CCc2scnc2C)c2c1C[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014536902 555826144 /nfs/dbraw/zinc/82/61/44/555826144.db2.gz GFINVRNUFRXISA-QGZVFWFLSA-N 1 1 496.633 4.033 50 0 JIAAMO O=C(Cc1ccccc1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020601189 555842273 /nfs/dbraw/zinc/84/22/73/555842273.db2.gz OVRPKOBAUUQYAV-LJAQVGFWSA-N 1 1 498.671 4.260 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(OC)cc2OC)CCO3)C1 ZINC000011871598 555847089 /nfs/dbraw/zinc/84/70/89/555847089.db2.gz KUQAZDQPWWWSGM-DEOSSOPVSA-N 1 1 495.664 4.179 50 0 JIAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc4c(c2)CCO4)CC3)c1 ZINC000015008666 555853039 /nfs/dbraw/zinc/85/30/39/555853039.db2.gz IAXXHIIFXCHZGW-VWLOTQADSA-N 1 1 487.648 4.405 50 0 JIAAMO COc1ccccc1[C@@H]([C@H](O)C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017546 555858594 /nfs/dbraw/zinc/85/85/94/555858594.db2.gz ZBJYRCMMFYEABF-XCZPVHLTSA-N 1 1 455.558 4.284 50 0 JIAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000012037310 555890387 /nfs/dbraw/zinc/89/03/87/555890387.db2.gz VGNLUJPSNNWQMO-RUZDIDTESA-N 1 1 461.610 4.139 50 0 JIAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2)cc1 ZINC000015477179 555910515 /nfs/dbraw/zinc/91/05/15/555910515.db2.gz UPRACXDDZBIFLL-XMMPIXPASA-N 1 1 497.617 4.436 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCCc4ccc(SC)cc4)C3)n2)cc1OC ZINC000015726218 555963914 /nfs/dbraw/zinc/96/39/14/555963914.db2.gz FBKPLESTORTYKF-HXUWFJFHSA-N 1 1 496.633 4.047 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCCc4ccc(SC)cc4)C3)n2)cc1OC ZINC000015726218 555963916 /nfs/dbraw/zinc/96/39/16/555963916.db2.gz FBKPLESTORTYKF-HXUWFJFHSA-N 1 1 496.633 4.047 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CC=C(c5ccccc5)CC4)CC3)n2)cc1OC ZINC000015726427 555964619 /nfs/dbraw/zinc/96/46/19/555964619.db2.gz AXBJEBNYGIPGKI-UHFFFAOYSA-N 1 1 488.588 4.282 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(C)c4cc(C)ccc4C)CC3)n2)cc1OC ZINC000015726364 555964678 /nfs/dbraw/zinc/96/46/78/555964678.db2.gz IYDIGDGUXJUGJE-UHFFFAOYSA-N 1 1 464.566 4.246 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)n2)cc1OC ZINC000015726460 555965169 /nfs/dbraw/zinc/96/51/69/555965169.db2.gz AFKGXCVQXWJHGY-UHFFFAOYSA-N 1 1 450.539 4.221 50 0 JIAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000022920709 555974625 /nfs/dbraw/zinc/97/46/25/555974625.db2.gz MIKSVMKRCAABTA-RTBURBONSA-N 1 1 469.651 4.194 50 0 JIAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022920845 555974823 /nfs/dbraw/zinc/97/48/23/555974823.db2.gz FBLYJVKTJDEHJQ-MUUNZHRXSA-N 1 1 468.601 4.191 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2Cl)cc1 ZINC000015822127 556010439 /nfs/dbraw/zinc/01/04/39/556010439.db2.gz VWLGBMQLXCVWKQ-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 JIAAMO C[C@H](c1nn(CN(C)CC(=O)Nc2ccccc2Cl)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012554640 556039331 /nfs/dbraw/zinc/03/93/31/556039331.db2.gz DUMMOYJGBOYLQD-OAHLLOKOSA-N 1 1 477.009 4.346 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(OC)c(OC)c2)N3)C1 ZINC000015947252 556084735 /nfs/dbraw/zinc/08/47/35/556084735.db2.gz ZIYVCIJBLAQOCV-QGZVFWFLSA-N 1 1 452.374 4.335 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000270 556105037 /nfs/dbraw/zinc/10/50/37/556105037.db2.gz ZLTDJHBOQGFQHN-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000270 556105039 /nfs/dbraw/zinc/10/50/39/556105039.db2.gz ZLTDJHBOQGFQHN-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016038145 556120636 /nfs/dbraw/zinc/12/06/36/556120636.db2.gz ZDRCCBNQLIKVRB-KEZOAJOQSA-N 1 1 469.928 4.494 50 0 JIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016038145 556120639 /nfs/dbraw/zinc/12/06/39/556120639.db2.gz ZDRCCBNQLIKVRB-KEZOAJOQSA-N 1 1 469.928 4.494 50 0 JIAAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000012920328 556139009 /nfs/dbraw/zinc/13/90/09/556139009.db2.gz CJLLWMPZCCBWNC-CQSZACIVSA-N 1 1 456.896 4.302 50 0 JIAAMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000012920328 556139012 /nfs/dbraw/zinc/13/90/12/556139012.db2.gz CJLLWMPZCCBWNC-CQSZACIVSA-N 1 1 456.896 4.302 50 0 JIAAMO Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Br ZINC000012977221 556169991 /nfs/dbraw/zinc/16/99/91/556169991.db2.gz OTESSPZFXMRCQP-UHFFFAOYSA-N 1 1 471.321 4.322 50 0 JIAAMO Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Br ZINC000012977221 556169994 /nfs/dbraw/zinc/16/99/94/556169994.db2.gz OTESSPZFXMRCQP-UHFFFAOYSA-N 1 1 471.321 4.322 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891233 556172581 /nfs/dbraw/zinc/17/25/81/556172581.db2.gz WUZMFGMSRWJWLQ-KBMIEXCESA-N 1 1 465.619 4.447 50 0 JIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000017012274 556202485 /nfs/dbraw/zinc/20/24/85/556202485.db2.gz GKFKIQKLCLMZNO-UHFFFAOYSA-N 1 1 482.382 4.262 50 0 JIAAMO C[NH+](C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013072918 556272138 /nfs/dbraw/zinc/27/21/38/556272138.db2.gz MFBMNTNNAGQKQJ-IBGZPJMESA-N 1 1 472.058 4.380 50 0 JIAAMO O=C1C[C@H]([NH+]2CCC(Nc3ccc(OC(F)(F)F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018217997 556312438 /nfs/dbraw/zinc/31/24/38/556312438.db2.gz ZZVCWIMICOFQNJ-IBGZPJMESA-N 1 1 467.875 4.447 50 0 JIAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000013128512 556347968 /nfs/dbraw/zinc/34/79/68/556347968.db2.gz LZEGDQFEGWJXQW-ZDUSSCGKSA-N 1 1 454.621 4.152 50 0 JIAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000019800219 556377351 /nfs/dbraw/zinc/37/73/51/556377351.db2.gz XMYISPHRCVHWGI-UHFFFAOYSA-N 1 1 498.048 4.040 50 0 JIAAMO O=C(CSc1nnc(Cc2ccccc2)o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000032745201 556482885 /nfs/dbraw/zinc/48/28/85/556482885.db2.gz SNTJOTRBZYIPSM-UHFFFAOYSA-N 1 1 458.587 4.250 50 0 JIAAMO O=C(CCNC(=O)c1ccsc1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809447 556499317 /nfs/dbraw/zinc/49/93/17/556499317.db2.gz KXXPQWFUKQZFHI-UHFFFAOYSA-N 1 1 457.596 4.080 50 0 JIAAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC000032860414 556514637 /nfs/dbraw/zinc/51/46/37/556514637.db2.gz VXTSVLCIBCNHMM-ZJSXRUAMSA-N 1 1 453.579 4.257 50 0 JIAAMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000032904086 556530236 /nfs/dbraw/zinc/53/02/36/556530236.db2.gz DTQWUUKLEFDNLF-UHFFFAOYSA-N 1 1 461.027 4.207 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000055201926 569591229 /nfs/dbraw/zinc/59/12/29/569591229.db2.gz CKKCCESDYTVDKH-RTWAWAEBSA-N 1 1 465.527 4.321 50 0 JIAAMO CCOP(=O)(OCC)c1ccccc1OC(=O)C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000055201926 569591230 /nfs/dbraw/zinc/59/12/30/569591230.db2.gz CKKCCESDYTVDKH-RTWAWAEBSA-N 1 1 465.527 4.321 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CCCCC2)C1 ZINC000055576413 569592256 /nfs/dbraw/zinc/59/22/56/569592256.db2.gz BXLQEJQYOGWDHS-QGZVFWFLSA-N 1 1 487.622 4.377 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CCCCC2)C1 ZINC000055576413 569592257 /nfs/dbraw/zinc/59/22/57/569592257.db2.gz BXLQEJQYOGWDHS-QGZVFWFLSA-N 1 1 487.622 4.377 50 0 JIAAMO CCOc1ccc(C(=O)NCCC[N@@H+](C)CCCN(C)Cc2ccccc2)cc1Br ZINC000057270640 569595143 /nfs/dbraw/zinc/59/51/43/569595143.db2.gz RQAJEDKYVHJCLC-UHFFFAOYSA-N 1 1 476.459 4.422 50 0 JIAAMO COC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415038 569600473 /nfs/dbraw/zinc/60/04/73/569600473.db2.gz PKKQBXZUQNMBDD-HSZRJFAPSA-N 1 1 453.970 4.076 50 0 JIAAMO COC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415038 569600474 /nfs/dbraw/zinc/60/04/74/569600474.db2.gz PKKQBXZUQNMBDD-HSZRJFAPSA-N 1 1 453.970 4.076 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999436 569609989 /nfs/dbraw/zinc/60/99/89/569609989.db2.gz RWNBUDDSJWRTSN-OMICENBGSA-N 1 1 463.537 4.010 50 0 biogenic JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000061999500 569610030 /nfs/dbraw/zinc/61/00/30/569610030.db2.gz XBCMMKRMULIZBL-KGEIDKFYSA-N 1 1 483.593 4.380 50 0 biogenic JIAAMO Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)nc2)cc1 ZINC000065023331 569649856 /nfs/dbraw/zinc/64/98/56/569649856.db2.gz JEFUSYKHSNGQEE-RUZDIDTESA-N 1 1 457.622 4.307 50 0 JIAAMO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(C)c5C)CC4)cc3)ccc21 ZINC000065027011 569651625 /nfs/dbraw/zinc/65/16/25/569651625.db2.gz ITBSJJNXMLXRIJ-UHFFFAOYSA-N 1 1 496.655 4.431 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000034829598 569663178 /nfs/dbraw/zinc/66/31/78/569663178.db2.gz DGCMDSNAYMKGAI-BCHFMIIMSA-N 1 1 479.671 4.059 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000034829598 569663179 /nfs/dbraw/zinc/66/31/79/569663179.db2.gz DGCMDSNAYMKGAI-BCHFMIIMSA-N 1 1 479.671 4.059 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C(C)C)[C@H](C)C1 ZINC000034830261 569663804 /nfs/dbraw/zinc/66/38/04/569663804.db2.gz BBOJLIACUXBVRX-NLFFAJNJSA-N 1 1 453.652 4.109 50 0 JIAAMO CCCC(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830373 569663831 /nfs/dbraw/zinc/66/38/31/569663831.db2.gz LSWKODPASKEENZ-CPJSRVTESA-N 1 1 453.652 4.254 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205064 569677648 /nfs/dbraw/zinc/67/76/48/569677648.db2.gz RNRYTNBHPRHCAA-DEOSSOPVSA-N 1 1 467.997 4.466 50 0 JIAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205064 569677650 /nfs/dbraw/zinc/67/76/50/569677650.db2.gz RNRYTNBHPRHCAA-DEOSSOPVSA-N 1 1 467.997 4.466 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000035365947 569682731 /nfs/dbraw/zinc/68/27/31/569682731.db2.gz JOPUQPAPCXEEHS-OMUKXZKBSA-N 1 1 463.537 4.010 50 0 biogenic JIAAMO CCCCN1C(=O)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000068710728 569691668 /nfs/dbraw/zinc/69/16/68/569691668.db2.gz UCALTGYVCZYRGD-HOFKKMOUSA-N 1 1 499.602 4.444 50 0 JIAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000070005579 569694666 /nfs/dbraw/zinc/69/46/66/569694666.db2.gz GMWHUPHPNGATAQ-IMSXRSKXSA-N 1 1 465.642 4.042 50 0 JIAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000070005579 569694667 /nfs/dbraw/zinc/69/46/67/569694667.db2.gz GMWHUPHPNGATAQ-IMSXRSKXSA-N 1 1 465.642 4.042 50 0 JIAAMO Cc1c2ccc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2oc(=O)c1Cc1ccccc1 ZINC000079189620 569707062 /nfs/dbraw/zinc/70/70/62/569707062.db2.gz LQNKNPIPMYHOEL-BKMJKUGQSA-N 1 1 474.601 4.452 50 0 biogenic JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851912 569716751 /nfs/dbraw/zinc/71/67/51/569716751.db2.gz UUOSSWBURFOJPQ-FVJVTNMWSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035855637 569716964 /nfs/dbraw/zinc/71/69/64/569716964.db2.gz VNNMDLXHBZMVQV-YHZQYDDPSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035855637 569716965 /nfs/dbraw/zinc/71/69/65/569716965.db2.gz VNNMDLXHBZMVQV-YHZQYDDPSA-N 1 1 471.944 4.233 50 0 JIAAMO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871397 569718606 /nfs/dbraw/zinc/71/86/06/569718606.db2.gz XOVIIFHZYVUAEM-PZJWPPBQSA-N 1 1 451.920 4.358 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991502 569744443 /nfs/dbraw/zinc/74/44/43/569744443.db2.gz UNGNRYNXXLIXTO-OAQYLSRUSA-N 1 1 461.484 4.351 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991502 569744444 /nfs/dbraw/zinc/74/44/44/569744444.db2.gz UNGNRYNXXLIXTO-OAQYLSRUSA-N 1 1 461.484 4.351 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991503 569744549 /nfs/dbraw/zinc/74/45/49/569744549.db2.gz UNGNRYNXXLIXTO-NRFANRHFSA-N 1 1 461.484 4.351 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991503 569744550 /nfs/dbraw/zinc/74/45/50/569744550.db2.gz UNGNRYNXXLIXTO-NRFANRHFSA-N 1 1 461.484 4.351 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036301507 569759024 /nfs/dbraw/zinc/75/90/24/569759024.db2.gz TUECKKRTUKOFLM-QHCPKHFHSA-N 1 1 467.610 4.361 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036301486 569759051 /nfs/dbraw/zinc/75/90/51/569759051.db2.gz FWOQXIRKZHFLRL-QFIPXVFZSA-N 1 1 453.583 4.114 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C ZINC000036313079 569760573 /nfs/dbraw/zinc/76/05/73/569760573.db2.gz CEUSGVDIUWEPMM-GMAHTHKFSA-N 1 1 487.641 4.263 50 0 JIAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccco1 ZINC000036313018 569760577 /nfs/dbraw/zinc/76/05/77/569760577.db2.gz PFFVENASIJFOTF-QHCPKHFHSA-N 1 1 483.609 4.341 50 0 JIAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000036316315 569762573 /nfs/dbraw/zinc/76/25/73/569762573.db2.gz DVHBOCKQGFDNKA-DEOSSOPVSA-N 1 1 478.637 4.132 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036341299 569764564 /nfs/dbraw/zinc/76/45/64/569764564.db2.gz CADHDVLJBGPVCL-NDEPHWFRSA-N 1 1 486.591 4.330 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036341520 569764668 /nfs/dbraw/zinc/76/46/68/569764668.db2.gz RXDDJLNKXXMZKI-MUUNZHRXSA-N 1 1 486.591 4.330 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036342240 569765630 /nfs/dbraw/zinc/76/56/30/569765630.db2.gz CWBYZCHOEKGBFD-DEOSSOPVSA-N 1 1 467.997 4.473 50 0 JIAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036342531 569765765 /nfs/dbraw/zinc/76/57/65/569765765.db2.gz MAJJTPMOAFFEGY-HSZRJFAPSA-N 1 1 453.970 4.165 50 0 JIAAMO Cc1ccc(C)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000036342675 569766019 /nfs/dbraw/zinc/76/60/19/569766019.db2.gz SSVFTEDLBPWTRC-AREMUKBSSA-N 1 1 461.606 4.437 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3)C2)cc1 ZINC000036344267 569766876 /nfs/dbraw/zinc/76/68/76/569766876.db2.gz PHOJGARWIFASNV-NDEPHWFRSA-N 1 1 452.602 4.491 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345768 569768154 /nfs/dbraw/zinc/76/81/54/569768154.db2.gz SYASLWNCQCWJFD-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345768 569768155 /nfs/dbraw/zinc/76/81/55/569768155.db2.gz SYASLWNCQCWJFD-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345670 569768213 /nfs/dbraw/zinc/76/82/13/569768213.db2.gz DXAQKKGHBTVPCG-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345670 569768214 /nfs/dbraw/zinc/76/82/14/569768214.db2.gz DXAQKKGHBTVPCG-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)CN1CCOCC1 ZINC000036346397 569769666 /nfs/dbraw/zinc/76/96/66/569769666.db2.gz KNWAEAHSAYPZQA-DEOSSOPVSA-N 1 1 482.600 4.017 50 0 JIAAMO COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000037009174 569781162 /nfs/dbraw/zinc/78/11/62/569781162.db2.gz YNVFVJSTNVHWLK-UHFFFAOYSA-N 1 1 489.613 4.034 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000038545848 569802564 /nfs/dbraw/zinc/80/25/64/569802564.db2.gz ADCGJWZSSZBRQM-VWLOTQADSA-N 1 1 496.007 4.324 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101878961 569806982 /nfs/dbraw/zinc/80/69/82/569806982.db2.gz NXRPJRMXULFYSA-UHFFFAOYSA-N 1 1 450.970 4.046 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878961 569806984 /nfs/dbraw/zinc/80/69/84/569806984.db2.gz NXRPJRMXULFYSA-UHFFFAOYSA-N 1 1 450.970 4.046 50 0 JIAAMO CCn1nnc2cc(C(=O)Nc3ccc(C[NH+]4CCN(Cc5ccccc5)CC4)cc3)ccc21 ZINC000040088405 569815928 /nfs/dbraw/zinc/81/59/28/569815928.db2.gz BKBHRIQJZDQFKR-UHFFFAOYSA-N 1 1 454.578 4.021 50 0 JIAAMO CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940543 569829451 /nfs/dbraw/zinc/82/94/51/569829451.db2.gz GWKZRRORVZDWMP-CYFREDJKSA-N 1 1 482.650 4.124 50 0 JIAAMO COc1cc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc(OC)c1OC ZINC000045974071 569841709 /nfs/dbraw/zinc/84/17/09/569841709.db2.gz LJOHNVZVOAFARG-UHFFFAOYSA-N 1 1 459.546 4.231 50 0 JIAAMO COc1cc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc(OC)c1OC ZINC000045974071 569841711 /nfs/dbraw/zinc/84/17/11/569841711.db2.gz LJOHNVZVOAFARG-UHFFFAOYSA-N 1 1 459.546 4.231 50 0 JIAAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104916344 569846884 /nfs/dbraw/zinc/84/68/84/569846884.db2.gz BPDONTXWXLGIGU-AZGAKELHSA-N 1 1 494.561 4.322 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000105002852 569849182 /nfs/dbraw/zinc/84/91/82/569849182.db2.gz XWEAHPLEMPWKGF-WIOPSUGQSA-N 1 1 488.694 4.307 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@H](O)COC(C)C ZINC000105003227 569849186 /nfs/dbraw/zinc/84/91/86/569849186.db2.gz KQUFLCPGNJAUER-NZQKXSOJSA-N 1 1 495.085 4.404 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC ZINC000105003724 569849451 /nfs/dbraw/zinc/84/94/51/569849451.db2.gz RKMWNKUKYOJVFN-XUZZJYLKSA-N 1 1 474.667 4.096 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000107175750 569856336 /nfs/dbraw/zinc/85/63/36/569856336.db2.gz ZKZUDSGOXJNPSH-LYXWCMDISA-N 1 1 470.356 4.041 50 0 JIAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 ZINC000108956409 569860022 /nfs/dbraw/zinc/86/00/22/569860022.db2.gz OAXNIQTUAHVTKE-MRXNPFEDSA-N 1 1 461.012 4.156 50 0 JIAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 ZINC000108956409 569860023 /nfs/dbraw/zinc/86/00/23/569860023.db2.gz OAXNIQTUAHVTKE-MRXNPFEDSA-N 1 1 461.012 4.156 50 0 JIAAMO CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677257 569868536 /nfs/dbraw/zinc/86/85/36/569868536.db2.gz TWAAQJYFTSRTQK-UPVQGACJSA-N 1 1 475.555 4.220 50 0 JIAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679600 569869871 /nfs/dbraw/zinc/86/98/71/569869871.db2.gz JAHKQZFOCBYNFL-ZDXQCDESSA-N 1 1 491.529 4.003 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C(C)C)[C@@H](C)C1 ZINC000169680026 569870140 /nfs/dbraw/zinc/87/01/40/569870140.db2.gz BBOJLIACUXBVRX-NBGIEHNGSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000169680288 569870309 /nfs/dbraw/zinc/87/03/09/569870309.db2.gz OYNHLDUYTNIOGN-RXFWQSSRSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000169680288 569870310 /nfs/dbraw/zinc/87/03/10/569870310.db2.gz OYNHLDUYTNIOGN-RXFWQSSRSA-N 1 1 467.679 4.500 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000229511760 570040593 /nfs/dbraw/zinc/04/05/93/570040593.db2.gz XTOBYEYMSXNORT-NTKDMRAZSA-N 1 1 462.512 4.452 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000229511760 570040594 /nfs/dbraw/zinc/04/05/94/570040594.db2.gz XTOBYEYMSXNORT-NTKDMRAZSA-N 1 1 462.512 4.452 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000230129011 570045391 /nfs/dbraw/zinc/04/53/91/570045391.db2.gz SKNLHKRSODLHIS-IAPPQJPRSA-N 1 1 473.592 4.056 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000230138095 570045844 /nfs/dbraw/zinc/04/58/44/570045844.db2.gz UTYDTZKIBVFJKN-AHWVRZQESA-N 1 1 463.528 4.475 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c1 ZINC000245255893 570060277 /nfs/dbraw/zinc/06/02/77/570060277.db2.gz MFNIPGOPRSBYLE-JALVRWGXSA-N 1 1 496.563 4.134 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c1 ZINC000245255893 570060278 /nfs/dbraw/zinc/06/02/78/570060278.db2.gz MFNIPGOPRSBYLE-JALVRWGXSA-N 1 1 496.563 4.134 50 0 JIAAMO CCC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC1CC1 ZINC000245279948 570061764 /nfs/dbraw/zinc/06/17/64/570061764.db2.gz KSPOAOFVXHDJFI-ZJSXRUAMSA-N 1 1 456.652 4.434 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000245343665 570067298 /nfs/dbraw/zinc/06/72/98/570067298.db2.gz VPLMZDWUGMYPLQ-NFBKMPQASA-N 1 1 468.525 4.000 50 0 JIAAMO CCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247943992 570071341 /nfs/dbraw/zinc/07/13/41/570071341.db2.gz ANPFKNVRBMHPOO-KRWDZBQOSA-N 1 1 455.400 4.478 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247954570 570071570 /nfs/dbraw/zinc/07/15/70/570071570.db2.gz ZRHLKICJDXMAIH-YDSTWLSQSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247954570 570071571 /nfs/dbraw/zinc/07/15/71/570071571.db2.gz ZRHLKICJDXMAIH-YDSTWLSQSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248092808 570073939 /nfs/dbraw/zinc/07/39/39/570073939.db2.gz HJEAQCFEJGDROJ-QHCPKHFHSA-N 1 1 459.638 4.486 50 0 JIAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4ccc(C)cc4C)CC3)CC2)nc2ccccc21 ZINC000249698294 570078689 /nfs/dbraw/zinc/07/86/89/570078689.db2.gz VWTYRSLTISSWES-UHFFFAOYSA-N 1 1 459.638 4.234 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000253387395 570095405 /nfs/dbraw/zinc/09/54/05/570095405.db2.gz LYXSFLCWFCQCPE-WQDYTSBFSA-N 1 1 481.662 4.110 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009870330 195005857 /nfs/dbraw/zinc/00/58/57/195005857.db2.gz IJYVGNNTHLRDDN-XMMPIXPASA-N 1 1 451.567 4.444 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1C ZINC000009960250 195039000 /nfs/dbraw/zinc/03/90/00/195039000.db2.gz QZUGBZKUSIMELY-LICLKQGHSA-N 1 1 497.690 4.027 50 0 JIAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)c3ccccc3n2)cc1OC ZINC000012727999 195097896 /nfs/dbraw/zinc/09/78/96/195097896.db2.gz WKSLMJVWMUWWAM-DEOSSOPVSA-N 1 1 463.578 4.006 50 0 JIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012850282 195154512 /nfs/dbraw/zinc/15/45/12/195154512.db2.gz HOGVTEBWKRHADE-DEOSSOPVSA-N 1 1 469.632 4.240 50 0 JIAAMO C[N@@H+](CCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)Cc1ccccc1 ZINC000020726702 195207928 /nfs/dbraw/zinc/20/79/28/195207928.db2.gz IVGUJHBTUYHJBJ-BWAHOGKJSA-N 1 1 457.599 4.415 50 0 JIAAMO CCc1nn(CC(=O)NCC[N@H+]([C@@H](C)CC)C2CCCCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000020862600 195233939 /nfs/dbraw/zinc/23/39/39/195233939.db2.gz DDSKXAOGTZZJSO-KRWDZBQOSA-N 1 1 471.671 4.131 50 0 JIAAMO O=C(CN1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027758 195362933 /nfs/dbraw/zinc/36/29/33/195362933.db2.gz YJRMUQWVGCWAGH-XCZPVHLTSA-N 1 1 488.676 4.240 50 0 JIAAMO CCC[N@H+]1Cc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2C1 ZINC000058158943 195368161 /nfs/dbraw/zinc/36/81/61/195368161.db2.gz WQDTZGHACSSRMB-UHFFFAOYSA-N 1 1 455.605 4.205 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000058225889 195374300 /nfs/dbraw/zinc/37/43/00/195374300.db2.gz SNEDMPUEDOXHNV-MRXNPFEDSA-N 1 1 450.004 4.016 50 0 JIAAMO CC(C)CC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccco1 ZINC000036149212 519652257 /nfs/dbraw/zinc/65/22/57/519652257.db2.gz MIJJKRHTNYJLRE-HSZRJFAPSA-N 1 1 483.609 4.197 50 0 JIAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036249348 519717567 /nfs/dbraw/zinc/71/75/67/519717567.db2.gz ANTRUTAZBNSAGG-UHFFFAOYSA-N 1 1 494.567 4.260 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146327 519880807 /nfs/dbraw/zinc/88/08/07/519880807.db2.gz RAROPIHSGXIZIS-VXKWHMMOSA-N 1 1 462.949 4.179 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C1CCCCC1 ZINC000036206577 520093955 /nfs/dbraw/zinc/09/39/55/520093955.db2.gz SBIMWLHBNQQUNS-SFHVURJKSA-N 1 1 471.623 4.192 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCc1ccco1 ZINC000036309942 520317572 /nfs/dbraw/zinc/31/75/72/520317572.db2.gz IMKSQKYNHQRJTC-QPPBQGQZSA-N 1 1 498.645 4.054 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036310002 520318014 /nfs/dbraw/zinc/31/80/14/520318014.db2.gz XSDFBYVWSWWGRS-UPVQGACJSA-N 1 1 494.657 4.187 50 0 JIAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)CC1CC1 ZINC000036309345 521182165 /nfs/dbraw/zinc/18/21/65/521182165.db2.gz XDSBKHXICBHPKC-UNMCSNQZSA-N 1 1 472.651 4.135 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cn(-c4ccc(OC)cc4)c(=O)c4ccccc34)cc2)CC1 ZINC000020508997 521688625 /nfs/dbraw/zinc/68/86/25/521688625.db2.gz MEDCWBLHFRGTFK-UHFFFAOYSA-N 1 1 496.611 4.389 50 0 JIAAMO COC(=O)c1c(OC(C)C)cc(=O)n2c1CC[N@H+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000020454758 521775286 /nfs/dbraw/zinc/77/52/86/521775286.db2.gz YGLYIDPIEKQDED-UHFFFAOYSA-N 1 1 470.953 4.394 50 0 JIAAMO COC(=O)c1c(OC(C)C)cc(=O)n2c1CC[N@@H+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000020454758 521775296 /nfs/dbraw/zinc/77/52/96/521775296.db2.gz YGLYIDPIEKQDED-UHFFFAOYSA-N 1 1 470.953 4.394 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC ZINC000036305822 522095485 /nfs/dbraw/zinc/09/54/85/522095485.db2.gz KCOZYKQGMBDKDH-CTNGQTDRSA-N 1 1 453.583 4.496 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@H]34)C(C)=O)CCCC2)cc(OC)c1 ZINC000043883958 522646407 /nfs/dbraw/zinc/64/64/07/522646407.db2.gz XWUPNWHVGPCUMK-HYBUGGRVSA-N 1 1 457.615 4.068 50 0 JIAAMO COc1cc(OC)c(OC)cc1CNc1nc(C)c(-c2ccn(C[C@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000014981601 522827925 /nfs/dbraw/zinc/82/79/25/522827925.db2.gz LUKGTKMMHHMYFK-KRWDZBQOSA-N 1 1 471.627 4.295 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000020508102 523808752 /nfs/dbraw/zinc/80/87/52/523808752.db2.gz OKQIDAIULSTXQY-UIOOFZCWSA-N 1 1 491.657 4.314 50 0 JIAAMO C[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCc4ccco4)cc3)n2)CC1 ZINC000036065133 523923319 /nfs/dbraw/zinc/92/33/19/523923319.db2.gz HNBCFXNCGVJHSM-UHFFFAOYSA-N 1 1 479.650 4.341 50 0 JIAAMO COc1ccc(CNC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000033069225 524048836 /nfs/dbraw/zinc/04/88/36/524048836.db2.gz OFUHBQFUYCZGRZ-UHFFFAOYSA-N 1 1 466.969 4.270 50 0 JIAAMO COc1ccc(CNC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000033069225 524048838 /nfs/dbraw/zinc/04/88/38/524048838.db2.gz OFUHBQFUYCZGRZ-UHFFFAOYSA-N 1 1 466.969 4.270 50 0 JIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(NC(=O)c3nnc(COc4ccccc4)s3)cc2)C1 ZINC000033028001 524088620 /nfs/dbraw/zinc/08/86/20/524088620.db2.gz VXDUALIIZRXNGC-IBGZPJMESA-N 1 1 493.633 4.221 50 0 JIAAMO Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)c3)s2)c1 ZINC000033027426 524768444 /nfs/dbraw/zinc/76/84/44/524768444.db2.gz DANGUBXJWZFIMY-LJQANCHMSA-N 1 1 493.633 4.282 50 0 JIAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)CSc2nc(C)cs2)Cc2ccccc2O1 ZINC000014952893 524816099 /nfs/dbraw/zinc/81/60/99/524816099.db2.gz MOLYAJKIOVSZDT-JOCHJYFZSA-N 1 1 469.632 4.304 50 0 JIAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)CSc2nc(C)cs2)Cc2ccccc2O1 ZINC000014952893 524816115 /nfs/dbraw/zinc/81/61/15/524816115.db2.gz MOLYAJKIOVSZDT-JOCHJYFZSA-N 1 1 469.632 4.304 50 0 JIAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)cc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036096016 524968897 /nfs/dbraw/zinc/96/88/97/524968897.db2.gz OBWBQCHJGAIUTK-QFIPXVFZSA-N 1 1 455.526 4.294 50 0 JIAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1 ZINC000020453608 525003513 /nfs/dbraw/zinc/00/35/13/525003513.db2.gz QZEATKBEPYJQJQ-RPLLCQBOSA-N 1 1 487.648 4.162 50 0 JIAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc3ccccc31)CC2 ZINC000014978406 525094492 /nfs/dbraw/zinc/09/44/92/525094492.db2.gz LNSGMNVMRLJMDW-OAQYLSRUSA-N 1 1 453.590 4.300 50 0 JIAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCN(C)CC1)c2Sc1ccc(Cl)cc1 ZINC000020466835 525597252 /nfs/dbraw/zinc/59/72/52/525597252.db2.gz KVOUWECFKJZZQB-UHFFFAOYSA-N 1 1 473.042 4.348 50 0 JIAAMO Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000009731741 526741947 /nfs/dbraw/zinc/74/19/47/526741947.db2.gz NFJVAOPWLITBOJ-FQEVSTJZSA-N 1 1 452.643 4.409 50 0 JIAAMO Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000009731741 526741954 /nfs/dbraw/zinc/74/19/54/526741954.db2.gz NFJVAOPWLITBOJ-FQEVSTJZSA-N 1 1 452.643 4.409 50 0 JIAAMO Cc1nc(COc2cccc(C(=O)NCCCCN3CC[NH+](Cc4ccccc4)CC3)c2)cs1 ZINC000048355040 526908906 /nfs/dbraw/zinc/90/89/06/526908906.db2.gz CTUFZSNDRBCSQD-UHFFFAOYSA-N 1 1 478.662 4.358 50 0 JIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)[nH+]1 ZINC000021794499 527005671 /nfs/dbraw/zinc/00/56/71/527005671.db2.gz NOUUKJVJEUUQCE-UHFFFAOYSA-N 1 1 468.355 4.380 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014731207 527273272 /nfs/dbraw/zinc/27/32/72/527273272.db2.gz YFTMPEHAVFGDAW-LOSJGSFVSA-N 1 1 459.634 4.353 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146600 527660849 /nfs/dbraw/zinc/66/08/49/527660849.db2.gz KNSXJQQFPXPRDE-NOZRDPDXSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146600 527660852 /nfs/dbraw/zinc/66/08/52/527660852.db2.gz KNSXJQQFPXPRDE-NOZRDPDXSA-N 1 1 452.501 4.400 50 0 JIAAMO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000002633791 554254706 /nfs/dbraw/zinc/25/47/06/554254706.db2.gz GSZASDKEZZRAJO-UHFFFAOYSA-N 1 1 459.575 4.421 50 0 JIAAMO O=S(=O)(c1cccc(Br)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000006161523 554513632 /nfs/dbraw/zinc/51/36/32/554513632.db2.gz PLXIPEBXLVKFAJ-UHFFFAOYSA-N 1 1 466.788 4.162 50 0 JIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000008448854 554596006 /nfs/dbraw/zinc/59/60/06/554596006.db2.gz KYTMIRFKTASEAC-FQEVSTJZSA-N 1 1 469.588 4.270 50 0 JIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1cccs1 ZINC000008448854 554596008 /nfs/dbraw/zinc/59/60/08/554596008.db2.gz KYTMIRFKTASEAC-FQEVSTJZSA-N 1 1 469.588 4.270 50 0 JIAAMO COc1ccc(-c2coc3c(C)c(OCC[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)ccc3c2=O)cc1 ZINC000008878947 554774510 /nfs/dbraw/zinc/77/45/10/554774510.db2.gz DBRSMOLDMNDUNW-IRLDBZIGSA-N 1 1 498.579 4.437 50 0 biogenic JIAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000008896170 554785591 /nfs/dbraw/zinc/78/55/91/554785591.db2.gz UYCKRJNXEHALTB-HMFYCAOWSA-N 1 1 494.057 4.167 50 0 JIAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1 ZINC000009125884 554918883 /nfs/dbraw/zinc/91/88/83/554918883.db2.gz XDRFIDMWMUFPSS-UHFFFAOYSA-N 1 1 484.666 4.286 50 0 JIAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000009211696 554981783 /nfs/dbraw/zinc/98/17/83/554981783.db2.gz XOQXKVSPGCUPIC-UHFFFAOYSA-N 1 1 457.553 4.289 50 0 JIAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)CC1 ZINC000009265481 555041441 /nfs/dbraw/zinc/04/14/41/555041441.db2.gz HIIRKOLJYFBUHN-UHFFFAOYSA-N 1 1 493.604 4.413 50 0 JIAAMO COc1cc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009293574 555069253 /nfs/dbraw/zinc/06/92/53/555069253.db2.gz ZAEMLTMWNQZYSP-LOSJGSFVSA-N 1 1 483.528 4.220 50 0 JIAAMO COc1cc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000009293571 555069304 /nfs/dbraw/zinc/06/93/04/555069304.db2.gz ZAEMLTMWNQZYSP-DQEYMECFSA-N 1 1 483.528 4.220 50 0 JIAAMO COc1cccc(-n2cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c3ccccc3c2=O)c1 ZINC000009438910 555208650 /nfs/dbraw/zinc/20/86/50/555208650.db2.gz OYOHFYSGCXHINT-UHFFFAOYSA-N 1 1 467.569 4.178 50 0 JIAAMO COc1ccc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000009527029 555320793 /nfs/dbraw/zinc/32/07/93/555320793.db2.gz MXDUQSOXADMRAG-UHFFFAOYSA-N 1 1 454.530 4.356 50 0 JIAAMO CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000013145820 555343610 /nfs/dbraw/zinc/34/36/10/555343610.db2.gz ZUZLFTLLNHWFRT-NRFANRHFSA-N 1 1 486.568 4.169 50 0 JIAAMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000013367198 555389397 /nfs/dbraw/zinc/38/93/97/555389397.db2.gz LCAQDDFJDSKMLT-GOSISDBHSA-N 1 1 466.538 4.003 50 0 JIAAMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000013367198 555389403 /nfs/dbraw/zinc/38/94/03/555389403.db2.gz LCAQDDFJDSKMLT-GOSISDBHSA-N 1 1 466.538 4.003 50 0 JIAAMO Cc1ccc(-n2nc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682040 555410372 /nfs/dbraw/zinc/41/03/72/555410372.db2.gz FNGSQVFEGVXRRO-UHFFFAOYSA-N 1 1 493.611 4.438 50 0 JIAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccc(OCC)cc4)CC3)C2=O)cc1 ZINC000019890318 555529841 /nfs/dbraw/zinc/52/98/41/555529841.db2.gz YMPCNYNZHCRYMM-VWLOTQADSA-N 1 1 450.579 4.461 50 0 JIAAMO COc1cccc(C2=NO[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1OC ZINC000019894442 555532673 /nfs/dbraw/zinc/53/26/73/555532673.db2.gz HLUXBYMANNRPRS-AREMUKBSSA-N 1 1 485.584 4.131 50 0 JIAAMO CCCC[N@@H+](CCCNC(=O)Cn1nc(CC)n2c3ccsc3cc2c1=O)Cc1ccccc1 ZINC000009848542 555550937 /nfs/dbraw/zinc/55/09/37/555550937.db2.gz COGQUOIFUGTTMY-UHFFFAOYSA-N 1 1 479.650 4.082 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc(C)cc(C)c2s1 ZINC000010067207 555614414 /nfs/dbraw/zinc/61/44/14/555614414.db2.gz NPQQEKSUVPIZPL-UHFFFAOYSA-N 1 1 473.664 4.452 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961003 555665548 /nfs/dbraw/zinc/66/55/48/555665548.db2.gz LZKPPLWELVQRAT-ZEQKJWHPSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961003 555665550 /nfs/dbraw/zinc/66/55/50/555665550.db2.gz LZKPPLWELVQRAT-ZEQKJWHPSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961003 555665555 /nfs/dbraw/zinc/66/55/55/555665555.db2.gz LZKPPLWELVQRAT-ZEQKJWHPSA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013961003 555665559 /nfs/dbraw/zinc/66/55/59/555665559.db2.gz LZKPPLWELVQRAT-ZEQKJWHPSA-N 1 1 493.604 4.240 50 0 JIAAMO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCN4CCc5ccccc5C4)ccc3n2)CC1 ZINC000020153658 555673115 /nfs/dbraw/zinc/67/31/15/555673115.db2.gz MBNYEHKGKUKPGH-UHFFFAOYSA-N 1 1 488.705 4.030 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000020183191 555690220 /nfs/dbraw/zinc/69/02/20/555690220.db2.gz FFVFRWRFWQISLF-OAQYLSRUSA-N 1 1 455.672 4.321 50 0 JIAAMO C[N@@H+](Cc1ccccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CCCCC1 ZINC000014171694 555722937 /nfs/dbraw/zinc/72/29/37/555722937.db2.gz MZWHJGOTRJCJOW-UHFFFAOYSA-N 1 1 494.661 4.251 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@@H](C)c3cccc(S(N)(=O)=O)c3)c2c1C ZINC000014247097 555750621 /nfs/dbraw/zinc/75/06/21/555750621.db2.gz DQBHOGLKZGYZKF-INIZCTEOSA-N 1 1 473.668 4.361 50 0 JIAAMO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Cl ZINC000014271808 555767906 /nfs/dbraw/zinc/76/79/06/555767906.db2.gz TVQBNIQDEKEOQG-UHFFFAOYSA-N 1 1 467.422 4.271 50 0 JIAAMO Cc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000014531421 555818711 /nfs/dbraw/zinc/81/87/11/555818711.db2.gz YKYHIMFZRFMRPD-XZOQPEGZSA-N 1 1 475.564 4.233 50 0 JIAAMO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020573532 555825353 /nfs/dbraw/zinc/82/53/53/555825353.db2.gz UATSWKHHMYBHPH-UHFFFAOYSA-N 1 1 468.553 4.283 50 0 JIAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccccc2-c2ccco2)CC3)c1 ZINC000011814038 555829568 /nfs/dbraw/zinc/82/95/68/555829568.db2.gz UBWHDZQOMBWJPM-IBGZPJMESA-N 1 1 471.561 4.096 50 0 JIAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020581340 555834938 /nfs/dbraw/zinc/83/49/38/555834938.db2.gz HISJIFVISDPLQM-FQEVSTJZSA-N 1 1 481.618 4.118 50 0 JIAAMO O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000012056127 555898556 /nfs/dbraw/zinc/89/85/56/555898556.db2.gz MTPQKHXSWZFGIZ-SVBPBHIXSA-N 1 1 474.580 4.110 50 0 JIAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3cccs3)C4=O)CC2)cc1OC ZINC000012149228 555921070 /nfs/dbraw/zinc/92/10/70/555921070.db2.gz YFEAENNBVHPWDP-GOSISDBHSA-N 1 1 491.613 4.445 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)n2)cc1OC ZINC000015726169 555963491 /nfs/dbraw/zinc/96/34/91/555963491.db2.gz NKVXYSPJQHUWRN-INIZCTEOSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)n2)cc1OC ZINC000015726169 555963493 /nfs/dbraw/zinc/96/34/93/555963493.db2.gz NKVXYSPJQHUWRN-INIZCTEOSA-N 1 1 456.930 4.258 50 0 JIAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000012376175 555963549 /nfs/dbraw/zinc/96/35/49/555963549.db2.gz CYRHMXCKSGVZIU-JIPXPUAJSA-N 1 1 455.583 4.413 50 0 JIAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccccc1 ZINC000012376175 555963553 /nfs/dbraw/zinc/96/35/53/555963553.db2.gz CYRHMXCKSGVZIU-JIPXPUAJSA-N 1 1 455.583 4.413 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cc(C)ccc4C)CC3)n2)cc1OC ZINC000015726482 555965117 /nfs/dbraw/zinc/96/51/17/555965117.db2.gz AHFVOQOVSZUVEA-UHFFFAOYSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1cc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022907702 555965189 /nfs/dbraw/zinc/96/51/89/555965189.db2.gz ZETGQOLKDFEBTO-HXUWFJFHSA-N 1 1 452.576 4.303 50 0 JIAAMO COc1cc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022907702 555965191 /nfs/dbraw/zinc/96/51/91/555965191.db2.gz ZETGQOLKDFEBTO-HXUWFJFHSA-N 1 1 452.576 4.303 50 0 JIAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CCC5)C2)cc1 ZINC000015733818 555979455 /nfs/dbraw/zinc/97/94/55/555979455.db2.gz NMSHUNZSYRKIQU-FQEVSTJZSA-N 1 1 465.619 4.104 50 0 JIAAMO COc1ccc(CN2CC[NH+](CCOc3ccc(OCc4ccccc4)cc3)CC2)c(OC)c1OC ZINC000022942861 555993435 /nfs/dbraw/zinc/99/34/35/555993435.db2.gz AHXLXTFZYIAACV-UHFFFAOYSA-N 1 1 492.616 4.488 50 0 JIAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000023129094 556018580 /nfs/dbraw/zinc/01/85/80/556018580.db2.gz MTSXHBVVRJOOHV-NRFANRHFSA-N 1 1 486.016 4.100 50 0 JIAAMO Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cc2)o1 ZINC000023171705 556026558 /nfs/dbraw/zinc/02/65/58/556026558.db2.gz ZCZCGUKYCPGLQV-UHFFFAOYSA-N 1 1 467.573 4.264 50 0 JIAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000023211957 556031440 /nfs/dbraw/zinc/03/14/40/556031440.db2.gz BCJBLOPQPNJTJH-MRXNPFEDSA-N 1 1 475.761 4.251 50 0 JIAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCCC2)o1 ZINC000015860426 556031815 /nfs/dbraw/zinc/03/18/15/556031815.db2.gz VMTRAQIQBVXMPN-KRWDZBQOSA-N 1 1 459.340 4.414 50 0 JIAAMO CNC(=O)c1ccc(CN(C)Cn2nc([C@H](C)[NH+]3CCCCC3)n(-c3ccccc3)c2=S)cc1 ZINC000012554213 556038217 /nfs/dbraw/zinc/03/82/17/556038217.db2.gz XKAUYSRDJSFUNU-FQEVSTJZSA-N 1 1 478.666 4.399 50 0 JIAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1cc(C)c(C)cc1C)CC2 ZINC000023340394 556047703 /nfs/dbraw/zinc/04/77/03/556047703.db2.gz IFRFUIAJHHQTEA-UHFFFAOYSA-N 1 1 489.616 4.025 50 0 JIAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)CC2)cc1 ZINC000023389334 556051424 /nfs/dbraw/zinc/05/14/24/556051424.db2.gz RRILBAJUSDBCJQ-LMSSTIIKSA-N 1 1 458.602 4.487 50 0 JIAAMO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)C3)sc2c1 ZINC000015943783 556079798 /nfs/dbraw/zinc/07/97/98/556079798.db2.gz TVZBEROPVBIUNE-ZCNNSNEGSA-N 1 1 458.672 4.396 50 0 JIAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012586563 556083522 /nfs/dbraw/zinc/08/35/22/556083522.db2.gz ZSJFCGPUUCPYRZ-UHFFFAOYSA-N 1 1 469.651 4.063 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(I)c2)N3)C1 ZINC000015947125 556084743 /nfs/dbraw/zinc/08/47/43/556084743.db2.gz DUQJMKZDFJUZQN-MRXNPFEDSA-N 1 1 469.348 4.168 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001467 556106416 /nfs/dbraw/zinc/10/64/16/556106416.db2.gz QVQZBZKNTZZNHW-FXKZBUDASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001467 556106418 /nfs/dbraw/zinc/10/64/18/556106418.db2.gz QVQZBZKNTZZNHW-FXKZBUDASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009848 556108554 /nfs/dbraw/zinc/10/85/54/556108554.db2.gz CBLIVWJSXAKKQY-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009848 556108557 /nfs/dbraw/zinc/10/85/57/556108557.db2.gz CBLIVWJSXAKKQY-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)CC2)cc1 ZINC000024528296 556134666 /nfs/dbraw/zinc/13/46/66/556134666.db2.gz XFCDRLSIOCEDBN-UHFFFAOYSA-N 1 1 481.593 4.283 50 0 JIAAMO COc1ccc(C[N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)c(OC)c1OC ZINC000024574421 556136776 /nfs/dbraw/zinc/13/67/76/556136776.db2.gz RPFJLILLBVFFLU-CQSZACIVSA-N 1 1 456.612 4.099 50 0 JIAAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000016891243 556172499 /nfs/dbraw/zinc/17/24/99/556172499.db2.gz SPOOUHHTHPEABK-KBMIEXCESA-N 1 1 465.619 4.447 50 0 JIAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(Br)c1 ZINC000012984837 556178505 /nfs/dbraw/zinc/17/85/05/556178505.db2.gz PFEGKAINILTKET-UHFFFAOYSA-N 1 1 457.294 4.014 50 0 JIAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(Br)c1 ZINC000012984837 556178509 /nfs/dbraw/zinc/17/85/09/556178509.db2.gz PFEGKAINILTKET-UHFFFAOYSA-N 1 1 457.294 4.014 50 0 JIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000013016338 556208030 /nfs/dbraw/zinc/20/80/30/556208030.db2.gz SCPQQFROHYRDEE-STQMWFEESA-N 1 1 455.411 4.296 50 0 JIAAMO CCc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000017045704 556210685 /nfs/dbraw/zinc/21/06/85/556210685.db2.gz CWUPAYXEUIJXNS-RRPNLBNLSA-N 1 1 466.585 4.111 50 0 JIAAMO COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)c1 ZINC000032623116 556453094 /nfs/dbraw/zinc/45/30/94/556453094.db2.gz LLFFXCUIBZJPDT-QFIPXVFZSA-N 1 1 493.560 4.087 50 0 JIAAMO O=C1CSc2sc3c(ncn(C[C@H](c4ccc(Cl)cc4)[NH+]4CCCCC4)c3=O)c2N1 ZINC000032624530 556454563 /nfs/dbraw/zinc/45/45/63/556454563.db2.gz LPSNMJLOERPWGT-OAHLLOKOSA-N 1 1 461.012 4.383 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032718910 556473664 /nfs/dbraw/zinc/47/36/64/556473664.db2.gz MLGJMTHGAGYBPQ-FCHUYYIVSA-N 1 1 464.562 4.120 50 0 JIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032718910 556473667 /nfs/dbraw/zinc/47/36/67/556473667.db2.gz MLGJMTHGAGYBPQ-FCHUYYIVSA-N 1 1 464.562 4.120 50 0 JIAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000032916036 556539978 /nfs/dbraw/zinc/53/99/78/556539978.db2.gz QKIHIOTWUUSRDN-UHFFFAOYSA-N 1 1 464.635 4.098 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611768 562947745 /nfs/dbraw/zinc/94/77/45/562947745.db2.gz ASCTXXXCQOMCRF-RUZDIDTESA-N 1 1 467.997 4.074 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2Cl)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611769 562947767 /nfs/dbraw/zinc/94/77/67/562947767.db2.gz ASCTXXXCQOMCRF-VWLOTQADSA-N 1 1 467.997 4.074 50 0 JIAAMO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000055154642 569591094 /nfs/dbraw/zinc/59/10/94/569591094.db2.gz DIVHGVCNVHBGKZ-UHFFFAOYSA-N 1 1 450.546 4.457 50 0 JIAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccccn1)CCC2 ZINC000057311635 569596176 /nfs/dbraw/zinc/59/61/76/569596176.db2.gz SQBXTMWVERPONP-UHFFFAOYSA-N 1 1 470.982 4.274 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000061999510 569609920 /nfs/dbraw/zinc/60/99/20/569609920.db2.gz BEBJGIOVLZEART-GSHUMDDJSA-N 1 1 469.566 4.071 50 0 biogenic JIAAMO CCOc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000062734779 569614765 /nfs/dbraw/zinc/61/47/65/569614765.db2.gz LVFHLTXDGMKWPD-UHFFFAOYSA-N 1 1 493.629 4.188 50 0 JIAAMO CCn1c2c(C(=O)Nc3ccc(F)c(Cl)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835964 569636681 /nfs/dbraw/zinc/63/66/81/569636681.db2.gz DACMRUQPGMDIPR-UHFFFAOYSA-N 1 1 479.943 4.119 50 0 JIAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1 ZINC000034681990 569643844 /nfs/dbraw/zinc/64/38/44/569643844.db2.gz ZCWGOGOOQMXYLB-UHFFFAOYSA-N 1 1 452.505 4.090 50 0 JIAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1 ZINC000034681990 569643845 /nfs/dbraw/zinc/64/38/45/569643845.db2.gz ZCWGOGOOQMXYLB-UHFFFAOYSA-N 1 1 452.505 4.090 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@H](C)C2)cc1 ZINC000034829706 569663254 /nfs/dbraw/zinc/66/32/54/569663254.db2.gz NGHDRQPKISPZJB-NTKDMRAZSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@H](C)C2)cc1 ZINC000034829706 569663255 /nfs/dbraw/zinc/66/32/55/569663255.db2.gz NGHDRQPKISPZJB-NTKDMRAZSA-N 1 1 453.652 4.109 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000034829613 569663263 /nfs/dbraw/zinc/66/32/63/569663263.db2.gz GEYNMWSTYSFIET-DCFHFQCYSA-N 1 1 489.641 4.077 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000034829613 569663264 /nfs/dbraw/zinc/66/32/64/569663264.db2.gz GEYNMWSTYSFIET-DCFHFQCYSA-N 1 1 489.641 4.077 50 0 JIAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000065593370 569676232 /nfs/dbraw/zinc/67/62/32/569676232.db2.gz ALBZIKRWVFVZJV-UHFFFAOYSA-N 1 1 462.497 4.149 50 0 JIAAMO Cc1ccc(C[N@H+]2CCCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1 ZINC000035279148 569679393 /nfs/dbraw/zinc/67/93/93/569679393.db2.gz IPHGGSLTPAMHEA-SSEXGKCCSA-N 1 1 482.628 4.150 50 0 JIAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2)C1 ZINC000069615360 569693473 /nfs/dbraw/zinc/69/34/73/569693473.db2.gz LXNKZTMENONOPL-UWUFYVNFSA-N 1 1 495.689 4.247 50 0 JIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)cc2)C1 ZINC000069615430 569693490 /nfs/dbraw/zinc/69/34/90/569693490.db2.gz MRQXJKUGBKBBAQ-GOSISDBHSA-N 1 1 482.675 4.477 50 0 JIAAMO COc1cc(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)c(OC)cc1Cl ZINC000071792462 569698548 /nfs/dbraw/zinc/69/85/48/569698548.db2.gz HEAOYAYVMKWMSK-FCHUYYIVSA-N 1 1 458.002 4.425 50 0 JIAAMO O=C(NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1c(F)cccc1F ZINC000035622988 569705538 /nfs/dbraw/zinc/70/55/38/569705538.db2.gz DTSDADVJXXGGTI-UHFFFAOYSA-N 1 1 451.542 4.387 50 0 JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000035806322 569711399 /nfs/dbraw/zinc/71/13/99/569711399.db2.gz VNKCHUMFJCPYPJ-UDZXTKBFSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000035806322 569711400 /nfs/dbraw/zinc/71/14/00/569711400.db2.gz VNKCHUMFJCPYPJ-UDZXTKBFSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035871427 569718713 /nfs/dbraw/zinc/71/87/13/569718713.db2.gz LSNMGCOHUAYBRJ-ZCYQVOJMSA-N 1 1 498.524 4.419 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2Cc2ccccc2)CC1 ZINC000095925491 569730157 /nfs/dbraw/zinc/73/01/57/569730157.db2.gz GFMMFVKWHXVQJD-UHFFFAOYSA-N 1 1 498.656 4.458 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000095927250 569730435 /nfs/dbraw/zinc/73/04/35/569730435.db2.gz PWIARHPEYNZYDB-SGEDCAFJSA-N 1 1 497.064 4.387 50 0 JIAAMO CCNC(=S)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000036312897 569760422 /nfs/dbraw/zinc/76/04/22/569760422.db2.gz GLSULMXXUNHLHM-UHFFFAOYSA-N 1 1 467.614 4.129 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341191 569764382 /nfs/dbraw/zinc/76/43/82/569764382.db2.gz PEDYDMFQKNUUQS-CYFREDJKSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341191 569764383 /nfs/dbraw/zinc/76/43/83/569764383.db2.gz PEDYDMFQKNUUQS-CYFREDJKSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036341381 569764461 /nfs/dbraw/zinc/76/44/61/569764461.db2.gz OTRHNPDMNFIQNM-RDGATRHJSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036341381 569764463 /nfs/dbraw/zinc/76/44/63/569764463.db2.gz OTRHNPDMNFIQNM-RDGATRHJSA-N 1 1 477.605 4.265 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000036341424 569764479 /nfs/dbraw/zinc/76/44/79/569764479.db2.gz QNCHCBHWXRAZBQ-MUUNZHRXSA-N 1 1 498.627 4.199 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344585 569767067 /nfs/dbraw/zinc/76/70/67/569767067.db2.gz QXFAKHFMUYPBCO-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344585 569767069 /nfs/dbraw/zinc/76/70/69/569767069.db2.gz QXFAKHFMUYPBCO-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344723 569767272 /nfs/dbraw/zinc/76/72/72/569767272.db2.gz JGEXUBCEAREPTK-MUUNZHRXSA-N 1 1 486.591 4.330 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c1 ZINC000036344954 569767469 /nfs/dbraw/zinc/76/74/69/569767469.db2.gz NXGZUBFIKGHSKY-GDLZYMKVSA-N 1 1 482.628 4.499 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345694 569768164 /nfs/dbraw/zinc/76/81/64/569768164.db2.gz RKSYOYGPBUFWBS-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345694 569768165 /nfs/dbraw/zinc/76/81/65/569768165.db2.gz RKSYOYGPBUFWBS-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346163 569769050 /nfs/dbraw/zinc/76/90/50/569769050.db2.gz GBLXXSKBDHOAHW-HSZRJFAPSA-N 1 1 453.583 4.127 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346163 569769051 /nfs/dbraw/zinc/76/90/51/569769051.db2.gz GBLXXSKBDHOAHW-HSZRJFAPSA-N 1 1 453.583 4.127 50 0 JIAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(OC)c1 ZINC000037276315 569782212 /nfs/dbraw/zinc/78/22/12/569782212.db2.gz NWQJAMHPFZQESU-FYYLOGMGSA-N 1 1 460.565 4.320 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101408704 569796928 /nfs/dbraw/zinc/79/69/28/569796928.db2.gz PCDJELKRSHFNHY-PRHHBONVSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101408704 569796929 /nfs/dbraw/zinc/79/69/29/569796929.db2.gz PCDJELKRSHFNHY-PRHHBONVSA-N 1 1 489.881 4.098 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)c(Cl)cc1OC)CC[N@H+](Cc1ccccc1)C2 ZINC000101878905 569807065 /nfs/dbraw/zinc/80/70/65/569807065.db2.gz LTGMVXGFSXEADR-UHFFFAOYSA-N 1 1 495.023 4.363 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)c(Cl)cc1OC)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878905 569807067 /nfs/dbraw/zinc/80/70/67/569807067.db2.gz LTGMVXGFSXEADR-UHFFFAOYSA-N 1 1 495.023 4.363 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149645 569819210 /nfs/dbraw/zinc/81/92/10/569819210.db2.gz HAJLBFVOORQWHU-QUCCMNQESA-N 1 1 464.591 4.400 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149645 569819212 /nfs/dbraw/zinc/81/92/12/569819212.db2.gz HAJLBFVOORQWHU-QUCCMNQESA-N 1 1 464.591 4.400 50 0 JIAAMO COc1ccc(C[C@@H]([NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000049590300 569849390 /nfs/dbraw/zinc/84/93/90/569849390.db2.gz ZTJOXRSRAPPHLJ-JOCHJYFZSA-N 1 1 475.545 4.031 50 0 JIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000105004484 569849974 /nfs/dbraw/zinc/84/99/74/569849974.db2.gz UDJULOJWXUQQCD-NZQKXSOJSA-N 1 1 492.657 4.278 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105008627 569850348 /nfs/dbraw/zinc/85/03/48/569850348.db2.gz JLXYSXCUAYQIHC-YADARESESA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105008627 569850349 /nfs/dbraw/zinc/85/03/49/569850349.db2.gz JLXYSXCUAYQIHC-YADARESESA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009912 569850588 /nfs/dbraw/zinc/85/05/88/569850588.db2.gz SVIGNYUJYNOFTI-AUSIDOKSSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009912 569850590 /nfs/dbraw/zinc/85/05/90/569850590.db2.gz SVIGNYUJYNOFTI-AUSIDOKSSA-N 1 1 453.970 4.293 50 0 JIAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000105647618 569853255 /nfs/dbraw/zinc/85/32/55/569853255.db2.gz ZKZPGQFMXONMKY-UNMCSNQZSA-N 1 1 456.608 4.254 50 0 JIAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000105647618 569853256 /nfs/dbraw/zinc/85/32/56/569853256.db2.gz ZKZPGQFMXONMKY-UNMCSNQZSA-N 1 1 456.608 4.254 50 0 JIAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1 ZINC000106531959 569854247 /nfs/dbraw/zinc/85/42/47/569854247.db2.gz CHADOWLPNHLXKW-FFRKRMJDSA-N 1 1 452.643 4.302 50 0 JIAAMO C[C@@H]1C[NH+](C[C@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@@H](C)O1 ZINC000106755145 569855536 /nfs/dbraw/zinc/85/55/36/569855536.db2.gz GMWHUPHPNGATAQ-PQNGQFLHSA-N 1 1 465.642 4.042 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000107175093 569856262 /nfs/dbraw/zinc/85/62/62/569856262.db2.gz LFTONDLZUNVIIA-OETAKHSWSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000107175916 569856273 /nfs/dbraw/zinc/85/62/73/569856273.db2.gz VSTPGKXOXGIIRZ-LFYAFONDSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000107175916 569856274 /nfs/dbraw/zinc/85/62/74/569856274.db2.gz VSTPGKXOXGIIRZ-LFYAFONDSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679869 569869946 /nfs/dbraw/zinc/86/99/46/569869946.db2.gz JTZPNCKXXBTKKS-FNZWTVRRSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679869 569869947 /nfs/dbraw/zinc/86/99/47/569869947.db2.gz JTZPNCKXXBTKKS-FNZWTVRRSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COC(C)C)C(C)C)c1 ZINC000169680133 569870217 /nfs/dbraw/zinc/87/02/17/569870217.db2.gz JQUBCUSRDNTMFA-ZJSXRUAMSA-N 1 1 474.667 4.058 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000227065531 570039895 /nfs/dbraw/zinc/03/98/95/570039895.db2.gz HOXQVKPXIPYTRW-YDLHNXBPSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000227065531 570039896 /nfs/dbraw/zinc/03/98/96/570039896.db2.gz HOXQVKPXIPYTRW-YDLHNXBPSA-N 1 1 470.356 4.041 50 0 JIAAMO O=C(c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245241193 570058393 /nfs/dbraw/zinc/05/83/93/570058393.db2.gz YSDCQNVXTAGNPT-JYJNAYRXSA-N 1 1 498.347 4.226 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C ZINC000245325968 570064470 /nfs/dbraw/zinc/06/44/70/570064470.db2.gz CEUSGVDIUWEPMM-GGAORHGYSA-N 1 1 487.641 4.263 50 0 JIAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4nccs4)C3)nc3ccccc32)cc1 ZINC000247905753 570071090 /nfs/dbraw/zinc/07/10/90/570071090.db2.gz SCQVSSMPNJJZRN-IBGZPJMESA-N 1 1 461.591 4.400 50 0 JIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4nccs4)C3)nc3ccccc32)cc1 ZINC000247905753 570071091 /nfs/dbraw/zinc/07/10/91/570071091.db2.gz SCQVSSMPNJJZRN-IBGZPJMESA-N 1 1 461.591 4.400 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000248028636 570073022 /nfs/dbraw/zinc/07/30/22/570073022.db2.gz WVUGDFUNZXJIFI-NRFANRHFSA-N 1 1 463.601 4.317 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1 ZINC000248092755 570073992 /nfs/dbraw/zinc/07/39/92/570073992.db2.gz VYXATZLESLLURP-GOSISDBHSA-N 1 1 486.447 4.441 50 0 JIAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248134505 570075110 /nfs/dbraw/zinc/07/51/10/570075110.db2.gz YQTPRNMFWCXXCV-QHCPKHFHSA-N 1 1 459.638 4.486 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4ccc(C)c(C)c4)CC3)C2)nc2ccccc21 ZINC000249691188 570078528 /nfs/dbraw/zinc/07/85/28/570078528.db2.gz LHDGUAIEUFSZOP-QHCPKHFHSA-N 1 1 459.638 4.234 50 0 JIAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4c(C)cccc4C)CC3)CC2)nc2ccccc21 ZINC000249697857 570078826 /nfs/dbraw/zinc/07/88/26/570078826.db2.gz VAMPFVGGDCTDOF-UHFFFAOYSA-N 1 1 459.638 4.234 50 0 JIAAMO NC(=O)C[C@@H](c1ccc(-c2nc3ccccc3s2)o1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253415062 570098664 /nfs/dbraw/zinc/09/86/64/570098664.db2.gz ZMOHONIJDRTLQN-INIZCTEOSA-N 1 1 479.558 4.208 50 0 JIAAMO COc1cc(OC)c(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)c(OC)c1 ZINC000299795021 570177198 /nfs/dbraw/zinc/17/71/98/570177198.db2.gz MAUVJDLGPORRRA-KRWDZBQOSA-N 1 1 471.627 4.295 50 0 JIAAMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000004097450 194377048 /nfs/dbraw/zinc/37/70/48/194377048.db2.gz RMRJXGBAOAMLHD-LDFHUFRKSA-N 1 1 467.650 4.414 50 0 in-vitro JIAAMO COc1ccccc1[C@H](CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[NH+](C)C ZINC000012601872 195047096 /nfs/dbraw/zinc/04/70/96/195047096.db2.gz RTMVVTWXZGHCBQ-DEOSSOPVSA-N 1 1 458.562 4.043 50 0 JIAAMO COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2)c1 ZINC000012789833 195130978 /nfs/dbraw/zinc/13/09/78/195130978.db2.gz TVYAIGNPUSRWBQ-DEOSSOPVSA-N 1 1 481.980 4.399 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccc1Cl ZINC000012790960 195131984 /nfs/dbraw/zinc/13/19/84/195131984.db2.gz FNHJZIGHDMUPSR-SFTDATJTSA-N 1 1 456.011 4.162 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012903523 195178462 /nfs/dbraw/zinc/17/84/62/195178462.db2.gz RCVDCXXKUXXOMH-HSZRJFAPSA-N 1 1 457.665 4.008 50 0 JIAAMO COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000020686646 195205132 /nfs/dbraw/zinc/20/51/32/195205132.db2.gz GAEUXUJBHLYWBJ-BVFVYWQFSA-N 1 1 479.621 4.170 50 0 JIAAMO COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000020686651 195205148 /nfs/dbraw/zinc/20/51/48/195205148.db2.gz GAEUXUJBHLYWBJ-UNVFRBQDSA-N 1 1 479.621 4.170 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21 ZINC000020730669 195209911 /nfs/dbraw/zinc/20/99/11/195209911.db2.gz POLGTGNIOQIANM-BOJFNEGLSA-N 1 1 465.569 4.363 50 0 JIAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC[NH+]1CCOCC1)occ3-c1ccccc1 ZINC000020759292 195217383 /nfs/dbraw/zinc/21/73/83/195217383.db2.gz QMIOXGORPSMOCM-UHFFFAOYSA-N 1 1 474.557 4.286 50 0 biogenic JIAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000020779206 195224353 /nfs/dbraw/zinc/22/43/53/195224353.db2.gz XHAVYKSRSRHVKH-HXUWFJFHSA-N 1 1 455.562 4.396 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000020986257 195260783 /nfs/dbraw/zinc/26/07/83/195260783.db2.gz FOKJAQUBNRGZKG-OAQYLSRUSA-N 1 1 464.635 4.145 50 0 JIAAMO C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000021309245 195294011 /nfs/dbraw/zinc/29/40/11/195294011.db2.gz WRYCUFKRUXWDCT-YJBOKZPZSA-N 1 1 482.631 4.285 50 0 JIAAMO C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000021309241 195294132 /nfs/dbraw/zinc/29/41/32/195294132.db2.gz WRYCUFKRUXWDCT-QAPCUYQASA-N 1 1 482.631 4.285 50 0 JIAAMO Clc1cccc([C@@H](c2ccccc2)[NH+]2CCN(c3nn4nnnc4c4ccccc43)CC2)c1 ZINC000021367128 195300267 /nfs/dbraw/zinc/30/02/67/195300267.db2.gz QZLVIVGRQRGPPJ-HSZRJFAPSA-N 1 1 455.953 4.238 50 0 JIAAMO O=C(c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021915113 195331637 /nfs/dbraw/zinc/33/16/37/195331637.db2.gz LOPGTNTYLIROMC-UHFFFAOYSA-N 1 1 468.601 4.481 50 0 JIAAMO O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021915712 195331963 /nfs/dbraw/zinc/33/19/63/195331963.db2.gz MTUGGZHQRPJREF-UHFFFAOYSA-N 1 1 454.530 4.127 50 0 JIAAMO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000058152516 195367214 /nfs/dbraw/zinc/36/72/14/195367214.db2.gz AFAQFPPNDMZHLQ-OAQYLSRUSA-N 1 1 452.618 4.057 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N(C)CC(=O)Nc3cc(C)ccn3)c2c1C ZINC000058229004 195374603 /nfs/dbraw/zinc/37/46/03/195374603.db2.gz INKJPVOFMNKACL-UHFFFAOYSA-N 1 1 452.628 4.318 50 0 JIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036309771 519635918 /nfs/dbraw/zinc/63/59/18/519635918.db2.gz UDJULOJWXUQQCD-OFNKIYASSA-N 1 1 492.657 4.278 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)CCO3)C1 ZINC000014882807 520526545 /nfs/dbraw/zinc/52/65/45/520526545.db2.gz WKEGTOOXNMNABS-XMMPIXPASA-N 1 1 495.664 4.179 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccoc2)C1 ZINC000014993643 520527636 /nfs/dbraw/zinc/52/76/36/520527636.db2.gz MBTMHTWFKXMQLO-MRXNPFEDSA-N 1 1 498.605 4.009 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000012387565 520923411 /nfs/dbraw/zinc/92/34/11/520923411.db2.gz KSXFTKWYPRYRGB-KRWDZBQOSA-N 1 1 451.995 4.400 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COC(C)C ZINC000036309222 521537723 /nfs/dbraw/zinc/53/77/23/521537723.db2.gz JQUDEFAMVSQVAS-GGAORHGYSA-N 1 1 474.667 4.059 50 0 JIAAMO CCN1CCN(C(=O)c2ccc(N3CCC([N@H+]4CCC[C@@H](OCc5ccccc5)C4)CC3)cc2)CC1 ZINC000012213853 521669726 /nfs/dbraw/zinc/66/97/26/521669726.db2.gz KOKZWNZLXVZWQM-GDLZYMKVSA-N 1 1 490.692 4.114 50 0 JIAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000036206587 521695107 /nfs/dbraw/zinc/69/51/07/521695107.db2.gz KMXUKVWHXIYQAK-IBGZPJMESA-N 1 1 463.603 4.476 50 0 JIAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000036206587 521695109 /nfs/dbraw/zinc/69/51/09/521695109.db2.gz KMXUKVWHXIYQAK-IBGZPJMESA-N 1 1 463.603 4.476 50 0 JIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NCCC(=O)OC)C1 ZINC000008619117 521724582 /nfs/dbraw/zinc/72/45/82/521724582.db2.gz OCCFPJXCBAFACZ-IBGZPJMESA-N 1 1 460.644 4.256 50 0 JIAAMO COC(=O)c1c(OCCCc2ccccc2)cc(=O)n2c1CC[N@@H+](Cc1ccc3cccnc3c1)CC2 ZINC000014883440 521773800 /nfs/dbraw/zinc/77/38/00/521773800.db2.gz WTCXYESPWTXEIX-UHFFFAOYSA-N 1 1 497.595 4.253 50 0 JIAAMO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCn2c(-c3ccc(C)cc3)nc3cccnc32)CC1 ZINC000033139726 522277589 /nfs/dbraw/zinc/27/75/89/522277589.db2.gz OZZFVYNHLYKGHV-UHFFFAOYSA-N 1 1 498.587 4.043 50 0 JIAAMO C[N@@H+](CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1)C1CCCCC1 ZINC000033027270 522861330 /nfs/dbraw/zinc/86/13/30/522861330.db2.gz MYDGQISWMRPNLF-UHFFFAOYSA-N 1 1 493.633 4.364 50 0 JIAAMO CC[C@@H](O)C1CC[NH+](Cc2nc3ccccc3c(N(C)Cc3ccc(OC)c(OC)c3)n2)CC1 ZINC000014995006 522970039 /nfs/dbraw/zinc/97/00/39/522970039.db2.gz JBDARZXVJVZLGS-HSZRJFAPSA-N 1 1 464.610 4.266 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)c(C)c2C)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000014979322 523122163 /nfs/dbraw/zinc/12/21/63/523122163.db2.gz YIFSNKVRMNAKIZ-AZGAKELHSA-N 1 1 497.655 4.417 50 0 JIAAMO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([N@@H+](C)Cc1nc3ccccc3s1)CC2 ZINC000014747136 523342148 /nfs/dbraw/zinc/34/21/48/523342148.db2.gz HEIKJCRRQXUFEW-IBGZPJMESA-N 1 1 459.619 4.291 50 0 JIAAMO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000036057495 523382733 /nfs/dbraw/zinc/38/27/33/523382733.db2.gz IYIOPCNBPWTIBE-SUDZHXMJSA-N 1 1 478.589 4.282 50 0 JIAAMO C[N@H+]1CCC[C@@H](C(=O)NCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)n2)C1 ZINC000014879448 523812880 /nfs/dbraw/zinc/81/28/80/523812880.db2.gz BGCGHLZEMHGZQB-QGZVFWFLSA-N 1 1 457.500 4.219 50 0 JIAAMO COc1ccccc1-n1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1C(C)C ZINC000085409233 524302399 /nfs/dbraw/zinc/30/23/99/524302399.db2.gz GRVJKHNSKIXPRS-UHFFFAOYSA-N 1 1 465.623 4.079 50 0 JIAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c(OC)c1 ZINC000033326724 524579894 /nfs/dbraw/zinc/57/98/94/524579894.db2.gz FXDYDZMNWITVIS-UHFFFAOYSA-N 1 1 464.526 4.026 50 0 JIAAMO Cc1ccc(N([C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000016292519 524901032 /nfs/dbraw/zinc/90/10/32/524901032.db2.gz KQTJARXIWYGTKY-HSZRJFAPSA-N 1 1 491.657 4.083 50 0 JIAAMO Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[N@H+]5CCC[C@@H]5C4)c(Cl)c3N2)cc1 ZINC000022579722 525853369 /nfs/dbraw/zinc/85/33/69/525853369.db2.gz QJNWUPKMMKZQKJ-IXDOHACOSA-N 1 1 467.923 4.425 50 0 JIAAMO COc1cccc(CN2C[C@H](OCc3c(C)noc3C)C[N@H+](CCCc3ccccc3)CC2=O)c1 ZINC000014744952 525958169 /nfs/dbraw/zinc/95/81/69/525958169.db2.gz ZIDKYQIINNNYRQ-AREMUKBSSA-N 1 1 477.605 4.162 50 0 JIAAMO COc1cccc(CN2C[C@H](OCc3c(C)noc3C)C[N@@H+](CCCc3ccccc3)CC2=O)c1 ZINC000014744952 525958175 /nfs/dbraw/zinc/95/81/75/525958175.db2.gz ZIDKYQIINNNYRQ-AREMUKBSSA-N 1 1 477.605 4.162 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)CC3)[nH]c2c1 ZINC000033070857 526252882 /nfs/dbraw/zinc/25/28/82/526252882.db2.gz YRNFJBZIZHDONY-UHFFFAOYSA-N 1 1 459.638 4.159 50 0 JIAAMO Cc1nonc1C[N@@H+](C)C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1 ZINC000014977196 526702157 /nfs/dbraw/zinc/70/21/57/526702157.db2.gz XBUJVQKNTMHBCA-UHFFFAOYSA-N 1 1 453.974 4.313 50 0 JIAAMO Cc1nonc1C[N@H+](C)C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1 ZINC000014977196 526702163 /nfs/dbraw/zinc/70/21/63/526702163.db2.gz XBUJVQKNTMHBCA-UHFFFAOYSA-N 1 1 453.974 4.313 50 0 JIAAMO Cc1sc2[nH]c(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000022788908 526894184 /nfs/dbraw/zinc/89/41/84/526894184.db2.gz WBUASYBHEXARAK-JOCHJYFZSA-N 1 1 474.630 4.432 50 0 JIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021794503 527005506 /nfs/dbraw/zinc/00/55/06/527005506.db2.gz GRTYRKXFKGWTER-UHFFFAOYSA-N 1 1 468.355 4.380 50 0 JIAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000035456127 527095849 /nfs/dbraw/zinc/09/58/49/527095849.db2.gz CVNRCOSWZYFPNP-UHFFFAOYSA-N 1 1 490.913 4.421 50 0 JIAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456127 527095854 /nfs/dbraw/zinc/09/58/54/527095854.db2.gz CVNRCOSWZYFPNP-UHFFFAOYSA-N 1 1 490.913 4.421 50 0 JIAAMO O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000064942922 527191053 /nfs/dbraw/zinc/19/10/53/527191053.db2.gz XOYCNLLFVGSHCO-UHFFFAOYSA-N 1 1 456.999 4.180 50 0 JIAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)N1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014990372 527235951 /nfs/dbraw/zinc/23/59/51/527235951.db2.gz BCVGWWOYPWVXMW-RDGATRHJSA-N 1 1 488.657 4.487 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@H+](Cc2ccncc2)C1 ZINC000014732878 527272686 /nfs/dbraw/zinc/27/26/86/527272686.db2.gz SGJMVDIFKDPUBI-RRPNLBNLSA-N 1 1 482.628 4.006 50 0 JIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)CSc2ccccn2)CC1 ZINC000020453514 527691618 /nfs/dbraw/zinc/69/16/18/527691618.db2.gz KXHUIYSQZZMMLY-VWLOTQADSA-N 1 1 495.668 4.337 50 0 JIAAMO CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccccc1 ZINC000000716260 553768692 /nfs/dbraw/zinc/76/86/92/553768692.db2.gz QWMOXMZBJLZUNN-UHFFFAOYSA-N 1 1 463.559 4.309 50 0 JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000008789525 554681934 /nfs/dbraw/zinc/68/19/34/554681934.db2.gz VNKCHUMFJCPYPJ-NOOLENRPSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000008789525 554681936 /nfs/dbraw/zinc/68/19/36/554681936.db2.gz VNKCHUMFJCPYPJ-NOOLENRPSA-N 1 1 468.594 4.328 50 0 biogenic JIAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009257552 555033692 /nfs/dbraw/zinc/03/36/92/555033692.db2.gz LZEGDQFEGWJXQW-CYBMUJFWSA-N 1 1 454.621 4.152 50 0 JIAAMO CC(C)[N@@H+](CCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1)Cc1ccccc1 ZINC000009269485 555044480 /nfs/dbraw/zinc/04/44/80/555044480.db2.gz ZXKNKSFWPFMRFC-UHFFFAOYSA-N 1 1 466.655 4.350 50 0 JIAAMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000009314105 555089635 /nfs/dbraw/zinc/08/96/35/555089635.db2.gz WXWQCFGXRJFLEJ-JOCHJYFZSA-N 1 1 498.048 4.165 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009388109 555149651 /nfs/dbraw/zinc/14/96/51/555149651.db2.gz CXQZWDCZHXGFJJ-UHFFFAOYSA-N 1 1 491.613 4.403 50 0 JIAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(Cl)cc2)cn3CC)CC1 ZINC000009435352 555206240 /nfs/dbraw/zinc/20/62/40/555206240.db2.gz NODULDRTWRSEKK-UHFFFAOYSA-N 1 1 492.016 4.179 50 0 JIAAMO O[C@@H](COc1ccc(OC(F)(F)F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013463769 555401274 /nfs/dbraw/zinc/40/12/74/555401274.db2.gz NXVMURBJRDQISJ-OAHLLOKOSA-N 1 1 487.931 4.410 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(C)cc2s1 ZINC000009604216 555431176 /nfs/dbraw/zinc/43/11/76/555431176.db2.gz DRVOPZAMWRTQKR-UHFFFAOYSA-N 1 1 459.637 4.144 50 0 JIAAMO O=C(c1ccccc1Cl)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000013555758 555493663 /nfs/dbraw/zinc/49/36/63/555493663.db2.gz XVPDWUZGUILTPR-WLGONLEPSA-N 1 1 483.955 4.355 50 0 JIAAMO O=C(c1ccccc1Cl)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000013555758 555493665 /nfs/dbraw/zinc/49/36/65/555493665.db2.gz XVPDWUZGUILTPR-WLGONLEPSA-N 1 1 483.955 4.355 50 0 JIAAMO C[NH+]1CCN(c2ccccc2C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000009776971 555495370 /nfs/dbraw/zinc/49/53/70/555495370.db2.gz WMFPPLDCUNDZDZ-KAYWLYCHSA-N 1 1 451.570 4.158 50 0 JIAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1sc2ccccc2c1Cl ZINC000019835102 555506723 /nfs/dbraw/zinc/50/67/23/555506723.db2.gz WFUXWCGGUZJLHR-UHFFFAOYSA-N 1 1 457.983 4.259 50 0 JIAAMO COc1cccc(C2=NO[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1OC ZINC000019894443 555532574 /nfs/dbraw/zinc/53/25/74/555532574.db2.gz HLUXBYMANNRPRS-SANMLTNESA-N 1 1 485.584 4.131 50 0 JIAAMO Cc1ccc(N(Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)S(C)(=O)=O)cc1C ZINC000019913228 555539127 /nfs/dbraw/zinc/53/91/27/555539127.db2.gz GVOOEQVLSKSNMR-UHFFFAOYSA-N 1 1 491.657 4.228 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000009847892 555549640 /nfs/dbraw/zinc/54/96/40/555549640.db2.gz GSYYIBKJDQAZAC-JOCHJYFZSA-N 1 1 496.652 4.343 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1OC ZINC000009857819 555559045 /nfs/dbraw/zinc/55/90/45/555559045.db2.gz VSEHRRWAMKGLDG-HNNXBMFYSA-N 1 1 474.920 4.397 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1OC ZINC000009857819 555559047 /nfs/dbraw/zinc/55/90/47/555559047.db2.gz VSEHRRWAMKGLDG-HNNXBMFYSA-N 1 1 474.920 4.397 50 0 JIAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000020027002 555603528 /nfs/dbraw/zinc/60/35/28/555603528.db2.gz GWFXJNXGAHWJNF-UHFFFAOYSA-N 1 1 458.514 4.070 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000013758944 555612224 /nfs/dbraw/zinc/61/22/24/555612224.db2.gz ZWIHFEGCATXRJI-QYOOZWMWSA-N 1 1 479.536 4.158 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000013758944 555612226 /nfs/dbraw/zinc/61/22/26/555612226.db2.gz ZWIHFEGCATXRJI-QYOOZWMWSA-N 1 1 479.536 4.158 50 0 JIAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c21 ZINC000013809686 555624019 /nfs/dbraw/zinc/62/40/19/555624019.db2.gz HJEQOXJHRXWVMS-SFHVURJKSA-N 1 1 465.598 4.337 50 0 JIAAMO C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc1)c1ccccc1O2 ZINC000020214808 555710992 /nfs/dbraw/zinc/71/09/92/555710992.db2.gz FFSLOZUFADCVNC-VAVYLYDRSA-N 1 1 482.584 4.414 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000014200402 555732052 /nfs/dbraw/zinc/73/20/52/555732052.db2.gz JNJODGWEEORRBG-UONOGXRCSA-N 1 1 458.411 4.230 50 0 JIAAMO Cc1oc(-c2cccc(C)c2)nc1C[S@@](=O)CC(=O)NCC[N@@H+](Cc1ccccc1)C(C)C ZINC000020241493 555736894 /nfs/dbraw/zinc/73/68/94/555736894.db2.gz RHCHPDIPRMYZQB-XIFFEERXSA-N 1 1 467.635 4.234 50 0 JIAAMO COc1ccccc1C1=NO[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000020274775 555749608 /nfs/dbraw/zinc/74/96/08/555749608.db2.gz QMYPIDNQNZULIQ-AREMUKBSSA-N 1 1 455.558 4.122 50 0 JIAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C2=O)c1 ZINC000020355335 555783017 /nfs/dbraw/zinc/78/30/17/555783017.db2.gz RYSBELHILXPZSS-ZXVVBBHZSA-N 1 1 467.569 4.349 50 0 JIAAMO Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC1)nnc2C ZINC000020564170 555817043 /nfs/dbraw/zinc/81/70/43/555817043.db2.gz WCVJAKCUMCUTIL-HXUWFJFHSA-N 1 1 489.668 4.029 50 0 JIAAMO CCCCc1nc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCOCC3)CC2)c[nH]1 ZINC000011789330 555823796 /nfs/dbraw/zinc/82/37/96/555823796.db2.gz VRNSEBKIULZKDR-DEOSSOPVSA-N 1 1 464.654 4.219 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c2ccccc12 ZINC000011869064 555845658 /nfs/dbraw/zinc/84/56/58/555845658.db2.gz SXKAYVAOUWYUSP-NRFANRHFSA-N 1 1 483.616 4.308 50 0 JIAAMO O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)c(F)c4)CC3)ccc2o1 ZINC000011964222 555870930 /nfs/dbraw/zinc/87/09/30/555870930.db2.gz JACDKAYGBXAKFI-FQEVSTJZSA-N 1 1 470.516 4.103 50 0 JIAAMO C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000012021439 555885615 /nfs/dbraw/zinc/88/56/15/555885615.db2.gz BRFGNUBNNFAYGR-OAHLLOKOSA-N 1 1 467.545 4.320 50 0 JIAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](C[C@@H](C)CCC=C(C)C)CC2 ZINC000012034445 555887931 /nfs/dbraw/zinc/88/79/31/555887931.db2.gz WSLOCQSMNAYHER-NRFANRHFSA-N 1 1 481.637 4.036 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)n2)cc1OC ZINC000015726283 555964465 /nfs/dbraw/zinc/96/44/65/555964465.db2.gz UBRPBUDZIRJFPP-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)n2)cc1OC ZINC000015726283 555964469 /nfs/dbraw/zinc/96/44/69/555964469.db2.gz UBRPBUDZIRJFPP-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1cc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022907705 555965076 /nfs/dbraw/zinc/96/50/76/555965076.db2.gz ZETGQOLKDFEBTO-FQEVSTJZSA-N 1 1 452.576 4.303 50 0 JIAAMO COc1cc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022907705 555965079 /nfs/dbraw/zinc/96/50/79/555965079.db2.gz ZETGQOLKDFEBTO-FQEVSTJZSA-N 1 1 452.576 4.303 50 0 JIAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022920841 555974769 /nfs/dbraw/zinc/97/47/69/555974769.db2.gz FBLYJVKTJDEHJQ-NDEPHWFRSA-N 1 1 468.601 4.191 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000022923788 555976123 /nfs/dbraw/zinc/97/61/23/555976123.db2.gz PWVJSYOZPMZUSF-LJQANCHMSA-N 1 1 454.018 4.062 50 0 JIAAMO CSc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000022931536 555984525 /nfs/dbraw/zinc/98/45/25/555984525.db2.gz RKYRXEKHYOQAFS-UHFFFAOYSA-N 1 1 454.459 4.379 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1cccs1 ZINC000015770314 555988739 /nfs/dbraw/zinc/98/87/39/555988739.db2.gz SJWOMYPDKLMYKP-QGZVFWFLSA-N 1 1 457.669 4.386 50 0 JIAAMO Cc1cc(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(C(C)C)c(C)c3)CC2)ccc1C(C)C ZINC000022942205 555992781 /nfs/dbraw/zinc/99/27/81/555992781.db2.gz ODMCENJBMASFNK-CLJLJLNGSA-N 1 1 498.708 4.347 50 0 JIAAMO C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181224 556027520 /nfs/dbraw/zinc/02/75/20/556027520.db2.gz FAASTZBFOFQYLH-CLOONOSVSA-N 1 1 463.603 4.154 50 0 JIAAMO C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181221 556027710 /nfs/dbraw/zinc/02/77/10/556027710.db2.gz FAASTZBFOFQYLH-UQBPGWFLSA-N 1 1 463.603 4.154 50 0 JIAAMO Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCC[C@H]4CCC[N@H+]4C)c3)n2)o1 ZINC000023336009 556045444 /nfs/dbraw/zinc/04/54/44/556045444.db2.gz TWHOSDBGQWAGNA-HXUWFJFHSA-N 1 1 450.587 4.033 50 0 JIAAMO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCC[N@@H+](C)C4CCCCC4)CC3)[nH]c2c1 ZINC000015868690 556046009 /nfs/dbraw/zinc/04/60/09/556046009.db2.gz DAMDCPXJGRDJJE-LJQANCHMSA-N 1 1 468.642 4.046 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](C/C=C/c2ccccc2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000023366668 556049795 /nfs/dbraw/zinc/04/97/95/556049795.db2.gz MSTNICQTOKBAOW-ILBUQDQASA-N 1 1 495.639 4.313 50 0 JIAAMO COC(=O)CC[C@H]1CN(C/C=C/c2ccccc2OC)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000023366668 556049798 /nfs/dbraw/zinc/04/97/98/556049798.db2.gz MSTNICQTOKBAOW-ILBUQDQASA-N 1 1 495.639 4.313 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c(C)n(Cc3ccccc3Cl)c(C)c2c1=O ZINC000015941264 556076041 /nfs/dbraw/zinc/07/60/41/556076041.db2.gz JKOBEOOIPVYXEC-JOCHJYFZSA-N 1 1 498.071 4.287 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCCC[C@@H]2C)CCC3)c(OC)c1 ZINC000015946648 556083352 /nfs/dbraw/zinc/08/33/52/556083352.db2.gz QVBHAVBUWFYIAB-HNNXBMFYSA-N 1 1 457.596 4.319 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCCC[C@@H]2C)CCC3)c(OC)c1 ZINC000015946648 556083357 /nfs/dbraw/zinc/08/33/57/556083357.db2.gz QVBHAVBUWFYIAB-HNNXBMFYSA-N 1 1 457.596 4.319 50 0 JIAAMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc(OC)c1OCc1ccccc1 ZINC000023846160 556091707 /nfs/dbraw/zinc/09/17/07/556091707.db2.gz VSFDZEPHZLMBME-UHFFFAOYSA-N 1 1 468.594 4.048 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015997093 556103595 /nfs/dbraw/zinc/10/35/95/556103595.db2.gz VCYCGVRFGVUJDQ-QPXQOZNCSA-N 1 1 489.881 4.098 50 0 JIAAMO Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023968656 556109300 /nfs/dbraw/zinc/10/93/00/556109300.db2.gz GPTBZLSVVQUSRK-UHFFFAOYSA-N 1 1 499.640 4.262 50 0 JIAAMO COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000025035463 556172835 /nfs/dbraw/zinc/17/28/35/556172835.db2.gz OANVZAXSKWLUPR-UHFFFAOYSA-N 1 1 487.025 4.235 50 0 JIAAMO C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025152264 556193045 /nfs/dbraw/zinc/19/30/45/556193045.db2.gz ZDHMBCKUDHTQJH-NRFANRHFSA-N 1 1 476.617 4.222 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000016993383 556197636 /nfs/dbraw/zinc/19/76/36/556197636.db2.gz ONXBPLCUCDXNKB-RUZDIDTESA-N 1 1 467.997 4.074 50 0 JIAAMO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c(=O)n1Cc1cccnc1 ZINC000016993850 556198309 /nfs/dbraw/zinc/19/83/09/556198309.db2.gz SLOWMGPJDVOJIN-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000025463359 556217302 /nfs/dbraw/zinc/21/73/02/556217302.db2.gz PYMGFFBWUQNXJV-FMIVXFBMSA-N 1 1 450.970 4.044 50 0 JIAAMO CCc1nn2c(nc(C[N@H+](C)Cc3ccc(-c4ccc(Br)cc4)o3)cc2=O)s1 ZINC000026850864 556264783 /nfs/dbraw/zinc/26/47/83/556264783.db2.gz PJEBSFZGPJHSJJ-UHFFFAOYSA-N 1 1 459.369 4.368 50 0 JIAAMO CCc1nn2c(nc(C[N@@H+](C)Cc3ccc(-c4ccc(Br)cc4)o3)cc2=O)s1 ZINC000026850864 556264786 /nfs/dbraw/zinc/26/47/86/556264786.db2.gz PJEBSFZGPJHSJJ-UHFFFAOYSA-N 1 1 459.369 4.368 50 0 JIAAMO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217473 556311978 /nfs/dbraw/zinc/31/19/78/556311978.db2.gz VNFOZTRLVFHMPP-AREMUKBSSA-N 1 1 492.019 4.350 50 0 JIAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c1 ZINC000019745486 556365955 /nfs/dbraw/zinc/36/59/55/556365955.db2.gz QUBJCJSSOGOUOU-UHFFFAOYSA-N 1 1 483.591 4.310 50 0 JIAAMO O=C(c1ccc(CN2CCOCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019811742 556382405 /nfs/dbraw/zinc/38/24/05/556382405.db2.gz CPOKZGLACSMMPT-UHFFFAOYSA-N 1 1 455.602 4.066 50 0 JIAAMO CCNC(=O)C[N@@H+]1CCCN(c2nc(CSc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000032823960 556504514 /nfs/dbraw/zinc/50/45/14/556504514.db2.gz MZPLWDHFBWBHRP-UHFFFAOYSA-N 1 1 469.680 4.249 50 0 JIAAMO CCNC(=O)C[N@H+]1CCCN(c2nc(CSc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000032823960 556504519 /nfs/dbraw/zinc/50/45/19/556504519.db2.gz MZPLWDHFBWBHRP-UHFFFAOYSA-N 1 1 469.680 4.249 50 0 JIAAMO Cc1ccccc1N1CC[NH+](CCN2C(=O)CC(=C3c4ccccc4-c4ccccc43)C2=O)CC1 ZINC000059860292 563209390 /nfs/dbraw/zinc/20/93/90/563209390.db2.gz PJGKOICLEJOFNL-UHFFFAOYSA-N 1 1 463.581 4.358 50 0 JIAAMO CSc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)CC3)cc1 ZINC000055576313 569592226 /nfs/dbraw/zinc/59/22/26/569592226.db2.gz PQRBUIOZBVLYPK-XZOQPEGZSA-N 1 1 464.635 4.208 50 0 JIAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000057015896 569593916 /nfs/dbraw/zinc/59/39/16/569593916.db2.gz QHSZYTHCFMSJLE-CJAUYULYSA-N 1 1 479.602 4.167 50 0 JIAAMO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000057312692 569596288 /nfs/dbraw/zinc/59/62/88/569596288.db2.gz PZMDVARQCSESEH-VWLOTQADSA-N 1 1 459.546 4.431 50 0 JIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000061999420 569610052 /nfs/dbraw/zinc/61/00/52/569610052.db2.gz GFPWAQIHWBGSEM-BAAZAXTHSA-N 1 1 493.563 4.018 50 0 biogenic JIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H](C)N3c4ccccc4SC(C)(C)CC3=O)CC2)c1C ZINC000063502573 569615289 /nfs/dbraw/zinc/61/52/89/569615289.db2.gz BKSDOIVOOUQAEF-JOCHJYFZSA-N 1 1 494.705 4.238 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(F)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000033331823 569624485 /nfs/dbraw/zinc/62/44/85/569624485.db2.gz ADLYDQXQQMNBDK-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(F)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000033331823 569624487 /nfs/dbraw/zinc/62/44/87/569624487.db2.gz ADLYDQXQQMNBDK-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO COc1ccc2[nH]cc([C@@H](O)C[N@H+]3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000033352430 569625145 /nfs/dbraw/zinc/62/51/45/569625145.db2.gz ZZFLEMPMVQJSPH-SXOMAYOGSA-N 1 1 481.552 4.106 50 0 biogenic JIAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)cc1 ZINC000034681919 569643609 /nfs/dbraw/zinc/64/36/09/569643609.db2.gz TYRGSSPJJJABBE-UHFFFAOYSA-N 1 1 452.505 4.333 50 0 JIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccnc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681958 569643730 /nfs/dbraw/zinc/64/37/30/569643730.db2.gz KXXZXENGRNZMFM-UHFFFAOYSA-N 1 1 455.484 4.460 50 0 JIAAMO Cc1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccccc4F)c3C2)cc1 ZINC000034757486 569656959 /nfs/dbraw/zinc/65/69/59/569656959.db2.gz DLWSUFVSYIGIOI-UHFFFAOYSA-N 1 1 476.556 4.058 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000034787782 569659930 /nfs/dbraw/zinc/65/99/30/569659930.db2.gz HJXZIFADOGVRRZ-SANMLTNESA-N 1 1 477.605 4.128 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000034787782 569659931 /nfs/dbraw/zinc/65/99/31/569659931.db2.gz HJXZIFADOGVRRZ-SANMLTNESA-N 1 1 477.605 4.128 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000034829591 569663226 /nfs/dbraw/zinc/66/32/26/569663226.db2.gz OAZQUOIMVVTVEA-FNZWTVRRSA-N 1 1 465.663 4.335 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000034829591 569663227 /nfs/dbraw/zinc/66/32/27/569663227.db2.gz OAZQUOIMVVTVEA-FNZWTVRRSA-N 1 1 465.663 4.335 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC000034830264 569663783 /nfs/dbraw/zinc/66/37/83/569663783.db2.gz LWMHITUXBAWDED-FQRUVTKNSA-N 1 1 477.630 4.360 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cn3c(n2)CC[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)CC1 ZINC000034899108 569669691 /nfs/dbraw/zinc/66/96/91/569669691.db2.gz RGLHQZQMERLXLJ-AWEZNQCLSA-N 1 1 474.449 4.428 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205061 569677654 /nfs/dbraw/zinc/67/76/54/569677654.db2.gz RNRYTNBHPRHCAA-XMMPIXPASA-N 1 1 467.997 4.466 50 0 JIAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205061 569677657 /nfs/dbraw/zinc/67/76/57/569677657.db2.gz RNRYTNBHPRHCAA-XMMPIXPASA-N 1 1 467.997 4.466 50 0 JIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN([C@@H](C(=O)OC)c3ccc(F)cc3)CC2)n1 ZINC000035292597 569679640 /nfs/dbraw/zinc/67/96/40/569679640.db2.gz JWAPOOSMCPGTHZ-HSZRJFAPSA-N 1 1 499.656 4.325 50 0 JIAAMO Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)nn2)c1 ZINC000035398262 569688878 /nfs/dbraw/zinc/68/88/78/569688878.db2.gz JRJPICXAIUBSKI-VWLOTQADSA-N 1 1 457.622 4.307 50 0 JIAAMO CCOC(=O)c1sc2nc(C)nc(N3CCC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)c2c1C ZINC000069367966 569692738 /nfs/dbraw/zinc/69/27/38/569692738.db2.gz VVZOPAAFJYYHQF-IBGZPJMESA-N 1 1 453.612 4.228 50 0 JIAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035426988 569694083 /nfs/dbraw/zinc/69/40/83/569694083.db2.gz HFIRHPFJQFMNCT-DEOSSOPVSA-N 1 1 480.634 4.186 50 0 JIAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035426988 569694084 /nfs/dbraw/zinc/69/40/84/569694084.db2.gz HFIRHPFJQFMNCT-DEOSSOPVSA-N 1 1 480.634 4.186 50 0 JIAAMO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000035559336 569703721 /nfs/dbraw/zinc/70/37/21/569703721.db2.gz VWMLBPUFMHYKHC-HHHXNRCGSA-N 1 1 497.705 4.444 50 0 JIAAMO C[NH+]1CCN(CCC(=O)N2CCC(c3c[nH]c4ccccc43)(c3c[nH]c4ccccc43)CC2)CC1 ZINC000085392854 569709974 /nfs/dbraw/zinc/70/99/74/569709974.db2.gz UZNBUALNFUATJG-UHFFFAOYSA-N 1 1 469.633 4.195 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2cc3occc3c(Nc3ccc(C)c(Cl)c3)n2)CC1 ZINC000085651209 569713045 /nfs/dbraw/zinc/71/30/45/569713045.db2.gz MLXZVGZBRHWNMH-UHFFFAOYSA-N 1 1 455.990 4.291 50 0 JIAAMO COc1ccc(/C=C/C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)c2)cc1 ZINC000096580411 569741676 /nfs/dbraw/zinc/74/16/76/569741676.db2.gz GFLMDYKICCVBPZ-NOENIZQJSA-N 1 1 475.570 4.218 50 0 JIAAMO COc1ccc(/C=C/C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)c2)cc1 ZINC000096580411 569741677 /nfs/dbraw/zinc/74/16/77/569741677.db2.gz GFLMDYKICCVBPZ-NOENIZQJSA-N 1 1 475.570 4.218 50 0 JIAAMO CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)C2=O)cc1 ZINC000100210892 569755514 /nfs/dbraw/zinc/75/55/14/569755514.db2.gz WGWNGLHKTJHUMD-XMMPIXPASA-N 1 1 478.980 4.131 50 0 JIAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(C)c1 ZINC000036312188 569760055 /nfs/dbraw/zinc/76/00/55/569760055.db2.gz YNDHTTPIGYAVBD-UHFFFAOYSA-N 1 1 480.584 4.220 50 0 JIAAMO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)c1Cc1cccc(C)c1 ZINC000036340676 569763947 /nfs/dbraw/zinc/76/39/47/569763947.db2.gz JYXZPWNPSDBXCI-RUZDIDTESA-N 1 1 474.649 4.117 50 0 JIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000036341457 569764586 /nfs/dbraw/zinc/76/45/86/569764586.db2.gz RXEDESSYGOTDDX-MHZLTWQESA-N 1 1 474.555 4.460 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)CN1CCOCC1 ZINC000036346396 569769770 /nfs/dbraw/zinc/76/97/70/569769770.db2.gz KNWAEAHSAYPZQA-XMMPIXPASA-N 1 1 482.600 4.017 50 0 JIAAMO NC(=O)c1ccc(C[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C2CC2)cc1 ZINC000040059791 569815230 /nfs/dbraw/zinc/81/52/30/569815230.db2.gz IIGZUDXOXKYIOD-QHCPKHFHSA-N 1 1 451.617 4.047 50 0 JIAAMO NC(=O)c1ccc(C[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C2CC2)cc1 ZINC000040059791 569815231 /nfs/dbraw/zinc/81/52/31/569815231.db2.gz IIGZUDXOXKYIOD-QHCPKHFHSA-N 1 1 451.617 4.047 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(NCC[C@@](O)(c3nccn3C)C(F)(F)F)c2c1C ZINC000040105310 569816110 /nfs/dbraw/zinc/81/61/10/569816110.db2.gz URNZTYNUAQKESZ-OAQYLSRUSA-N 1 1 482.576 4.280 50 0 JIAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(NC(=O)c4ccc5[nH]cnc5c4)c3)CC2)c1 ZINC000040158112 569821912 /nfs/dbraw/zinc/82/19/12/569821912.db2.gz GLVOROBHQOBPJT-UHFFFAOYSA-N 1 1 453.546 4.082 50 0 JIAAMO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103232209 569833957 /nfs/dbraw/zinc/83/39/57/569833957.db2.gz HIMPAGZQHISGIH-JOCHJYFZSA-N 1 1 489.041 4.031 50 0 JIAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983765 569848150 /nfs/dbraw/zinc/84/81/50/569848150.db2.gz XXXNFWGBJHDODV-LEWJYISDSA-N 1 1 474.985 4.097 50 0 JIAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983765 569848151 /nfs/dbraw/zinc/84/81/51/569848151.db2.gz XXXNFWGBJHDODV-LEWJYISDSA-N 1 1 474.985 4.097 50 0 JIAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984447 569848565 /nfs/dbraw/zinc/84/85/65/569848565.db2.gz AUAJDPWEJLRFCX-JTHBVZDNSA-N 1 1 474.985 4.048 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COCC(C)C ZINC000105002686 569849238 /nfs/dbraw/zinc/84/92/38/569849238.db2.gz MNLCDKAECTVZEK-LADGPHEKSA-N 1 1 488.694 4.225 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)[C@H](C)C(C)(C)O ZINC000105005093 569849880 /nfs/dbraw/zinc/84/98/80/569849880.db2.gz PEBXMNDORWCQKU-QUCCMNQESA-N 1 1 460.640 4.133 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@@H](C)C1 ZINC000169680437 569870455 /nfs/dbraw/zinc/87/04/55/569870455.db2.gz AMAKCKIIEHOEBB-RXFWQSSRSA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@@H](C)C1 ZINC000169680437 569870456 /nfs/dbraw/zinc/87/04/56/569870456.db2.gz AMAKCKIIEHOEBB-RXFWQSSRSA-N 1 1 465.663 4.254 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245280450 570061887 /nfs/dbraw/zinc/06/18/87/570061887.db2.gz QVBSPQZTLXUGPX-XNMGPUDCSA-N 1 1 478.564 4.407 50 0 JIAAMO CCN(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247973573 570071845 /nfs/dbraw/zinc/07/18/45/570071845.db2.gz IBAZYFLEXZDRDQ-UHFFFAOYSA-N 1 1 455.400 4.478 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000247994765 570072431 /nfs/dbraw/zinc/07/24/31/570072431.db2.gz LXMGOCZKZPJYCC-UHFFFAOYSA-N 1 1 463.601 4.317 50 0 JIAAMO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccccc1OC ZINC000248243403 570076623 /nfs/dbraw/zinc/07/66/23/570076623.db2.gz KFSXJKIUVUBXHR-FZBZCGEPSA-N 1 1 466.578 4.179 50 0 JIAAMO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccccc1OC ZINC000248243403 570076624 /nfs/dbraw/zinc/07/66/24/570076624.db2.gz KFSXJKIUVUBXHR-FZBZCGEPSA-N 1 1 466.578 4.179 50 0 JIAAMO COc1ccc(C[N@@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000248329526 570077667 /nfs/dbraw/zinc/07/76/67/570077667.db2.gz DFILFLBFZIMCIO-HESGLNFQSA-N 1 1 457.611 4.202 50 0 JIAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)nc2ccccc21 ZINC000249689660 570078509 /nfs/dbraw/zinc/07/85/09/570078509.db2.gz JMFYLJGQAUXHGJ-UHFFFAOYSA-N 1 1 459.638 4.234 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)nc2ccccc21 ZINC000249691514 570078545 /nfs/dbraw/zinc/07/85/45/570078545.db2.gz LKSMQAULEYXWOW-IBGZPJMESA-N 1 1 484.019 4.410 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000252443947 570080590 /nfs/dbraw/zinc/08/05/90/570080590.db2.gz ATVMIUGYYXTXLY-IFMALSPDSA-N 1 1 482.506 4.316 50 0 JIAAMO O=C(c1ccccc1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000252694851 570094930 /nfs/dbraw/zinc/09/49/30/570094930.db2.gz QUGCUCOKYHBCCE-SAYRZEODSA-N 1 1 483.955 4.355 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000253612890 570104846 /nfs/dbraw/zinc/10/48/46/570104846.db2.gz IKQBXIQXBKXZQZ-LJQANCHMSA-N 1 1 485.554 4.153 50 0 JIAAMO COc1cc(CN2C(=O)CC[C@@H]3C[N@H+](Cc4ccc(F)cc4F)CC[C@@H]32)cc(OC)c1OC ZINC000299761167 570174640 /nfs/dbraw/zinc/17/46/40/570174640.db2.gz SQSSARPGKCROPF-NQIIRXRSSA-N 1 1 460.521 4.004 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 ZINC000004101929 194377833 /nfs/dbraw/zinc/37/78/33/194377833.db2.gz NCRPSOQXGUPGPE-LJQANCHMSA-N 1 1 457.615 4.059 50 0 aggregator JIAAMO C=C1C(NC2CC[NH+](Cc3ccccc3)CC2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009286628 194662026 /nfs/dbraw/zinc/66/20/26/194662026.db2.gz WBCYAPUALFEQFB-UHFFFAOYSA-N 1 1 474.424 4.176 50 0 JIAAMO CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 ZINC000009707938 194903550 /nfs/dbraw/zinc/90/35/50/194903550.db2.gz NFIQFEPIBDTQHS-UHFFFAOYSA-N 1 1 475.636 4.087 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009963500 195040333 /nfs/dbraw/zinc/04/03/33/195040333.db2.gz HFJPFCYSVYMKKU-HNNXBMFYSA-N 1 1 452.971 4.349 50 0 JIAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009963500 195040336 /nfs/dbraw/zinc/04/03/36/195040336.db2.gz HFJPFCYSVYMKKU-HNNXBMFYSA-N 1 1 452.971 4.349 50 0 JIAAMO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012731260 195098739 /nfs/dbraw/zinc/09/87/39/195098739.db2.gz HPGIFAWKJMQHJW-XMMPIXPASA-N 1 1 493.629 4.371 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+](C)C ZINC000012778951 195122986 /nfs/dbraw/zinc/12/29/86/195122986.db2.gz JVVCSDLNSPVHOY-CTNGQTDRSA-N 1 1 466.409 4.176 50 0 JIAAMO CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012808936 195143323 /nfs/dbraw/zinc/14/33/23/195143323.db2.gz GNCMEKOEHXFFPY-LJQANCHMSA-N 1 1 471.026 4.114 50 0 JIAAMO COc1ccc(C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000012858658 195158532 /nfs/dbraw/zinc/15/85/32/195158532.db2.gz DSJCEPHUPGAGMW-SFHVURJKSA-N 1 1 469.582 4.084 50 0 JIAAMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2c1 ZINC000012907179 195180282 /nfs/dbraw/zinc/18/02/82/195180282.db2.gz HUYWOVPDHFZRKJ-UHFFFAOYSA-N 1 1 451.592 4.348 50 0 JIAAMO Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[NH+](CCc5ccccn5)CC4)c(C)c3cc2c1C ZINC000020760109 195217463 /nfs/dbraw/zinc/21/74/63/195217463.db2.gz ONULKYNYUXAHKB-UHFFFAOYSA-N 1 1 473.573 4.179 50 0 biogenic JIAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2)c1cccc(F)c1 ZINC000020905589 195245031 /nfs/dbraw/zinc/24/50/31/195245031.db2.gz XRSUQHGYFDTZLS-UHFFFAOYSA-N 1 1 471.536 4.198 50 0 JIAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CCC(C)C)C3=O ZINC000020918462 195247041 /nfs/dbraw/zinc/24/70/41/195247041.db2.gz WWCXLMRPOQKOEJ-UETOGOEVSA-N 1 1 496.696 4.395 50 0 JIAAMO COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000020920037 195247435 /nfs/dbraw/zinc/24/74/35/195247435.db2.gz MEDYIKFTLAWFPN-OAHLLOKOSA-N 1 1 482.046 4.134 50 0 JIAAMO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000020979385 195258854 /nfs/dbraw/zinc/25/88/54/195258854.db2.gz JOKFEXDBOGGXHG-UHFFFAOYSA-N 1 1 453.590 4.458 50 0 JIAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cccc(-c4ccccc4C)c2)CC3)cc1 ZINC000020999608 195265294 /nfs/dbraw/zinc/26/52/94/195265294.db2.gz VAYWNEFDJCLQJT-UHFFFAOYSA-N 1 1 495.627 4.293 50 0 JIAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146165 518879720 /nfs/dbraw/zinc/87/97/20/518879720.db2.gz BZLVYKWTJBNSBW-PMACEKPBSA-N 1 1 474.985 4.240 50 0 JIAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146165 518879729 /nfs/dbraw/zinc/87/97/29/518879729.db2.gz BZLVYKWTJBNSBW-PMACEKPBSA-N 1 1 474.985 4.240 50 0 JIAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2C1 ZINC000022699035 519691495 /nfs/dbraw/zinc/69/14/95/519691495.db2.gz HDNIULXASLGZIH-UHFFFAOYSA-N 1 1 476.668 4.115 50 0 JIAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2C1 ZINC000022699035 519691497 /nfs/dbraw/zinc/69/14/97/519691497.db2.gz HDNIULXASLGZIH-UHFFFAOYSA-N 1 1 476.668 4.115 50 0 JIAAMO CC(C)CNC(=O)c1cccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(C)(C)C)n2)c1 ZINC000036065205 519742111 /nfs/dbraw/zinc/74/21/11/519742111.db2.gz OSBFJGSPTVEYDA-UHFFFAOYSA-N 1 1 455.672 4.204 50 0 JIAAMO CC(C)c1c(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000014972245 519830647 /nfs/dbraw/zinc/83/06/47/519830647.db2.gz QZFWLOBPZJORHR-UHFFFAOYSA-N 1 1 492.624 4.201 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036306849 520155567 /nfs/dbraw/zinc/15/55/67/520155567.db2.gz BMUXZGFXTRAJCT-YADHBBJMSA-N 1 1 483.584 4.397 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036310000 520318091 /nfs/dbraw/zinc/31/80/91/520318091.db2.gz XSDFBYVWSWWGRS-VWNXMTODSA-N 1 1 494.657 4.187 50 0 JIAAMO CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)C2=O)cc1 ZINC000018164806 520385173 /nfs/dbraw/zinc/38/51/73/520385173.db2.gz WGWNGLHKTJHUMD-DEOSSOPVSA-N 1 1 478.980 4.131 50 0 JIAAMO CCCC[N@@H+](C)CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021811826 520400880 /nfs/dbraw/zinc/40/08/80/520400880.db2.gz NHRZNCRSGHSAQE-AREMUKBSSA-N 1 1 456.631 4.410 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080251 520518072 /nfs/dbraw/zinc/51/80/72/520518072.db2.gz ZZJZTCMLYUWDAI-CVDCTZTESA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080251 520518080 /nfs/dbraw/zinc/51/80/80/520518080.db2.gz ZZJZTCMLYUWDAI-CVDCTZTESA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080251 520518089 /nfs/dbraw/zinc/51/80/89/520518089.db2.gz ZZJZTCMLYUWDAI-CVDCTZTESA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036080251 520518098 /nfs/dbraw/zinc/51/80/98/520518098.db2.gz ZZJZTCMLYUWDAI-CVDCTZTESA-N 1 1 453.970 4.309 50 0 JIAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000021811102 520951917 /nfs/dbraw/zinc/95/19/17/520951917.db2.gz IFKGYTUXZYXLRX-DNGGPVNVSA-N 1 1 468.642 4.408 50 0 JIAAMO CC[N@H+](Cc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(N2CCC(C(=O)OC)CC2)n1 ZINC000014882984 521371567 /nfs/dbraw/zinc/37/15/67/521371567.db2.gz FBYGTWTUOXBNPD-UHFFFAOYSA-N 1 1 478.593 4.059 50 0 JIAAMO CC[N@@H+](Cc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(N2CCC(C(=O)OC)CC2)n1 ZINC000014882984 521371573 /nfs/dbraw/zinc/37/15/73/521371573.db2.gz FBYGTWTUOXBNPD-UHFFFAOYSA-N 1 1 478.593 4.059 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)[C@@H](C)C(C)(C)O ZINC000036310267 521539454 /nfs/dbraw/zinc/53/94/54/521539454.db2.gz PEBXMNDORWCQKU-ICSRJNTNSA-N 1 1 460.640 4.133 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2oc3c(c2C)-c2nn(Cc4ccc(Cl)cc4)cc2CC3)CC1 ZINC000020490104 521682204 /nfs/dbraw/zinc/68/22/04/521682204.db2.gz KGOKBWVXHUGONX-UHFFFAOYSA-N 1 1 496.055 4.009 50 0 JIAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(Br)c(C)c3)s2)CC1 ZINC000021880887 521701447 /nfs/dbraw/zinc/70/14/47/521701447.db2.gz DKMCABOOQVMNIE-UHFFFAOYSA-N 1 1 461.433 4.154 50 0 JIAAMO COc1cc(-c2nc(C)c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)s2)cc(OC)c1OC ZINC000012296473 521900445 /nfs/dbraw/zinc/90/04/45/521900445.db2.gz XBEGAANAXFJHLU-FUHWJXTLSA-N 1 1 459.612 4.139 50 0 biogenic JIAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697776 522064659 /nfs/dbraw/zinc/06/46/59/522064659.db2.gz WYQDXLFAQWYMAL-SANMLTNESA-N 1 1 497.636 4.281 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)[C@@H](C)n1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000020464925 522087371 /nfs/dbraw/zinc/08/73/71/522087371.db2.gz HCQWBOBVHDCQMS-UYAOXDASSA-N 1 1 451.615 4.068 50 0 JIAAMO COc1cc(C(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022765991 522120350 /nfs/dbraw/zinc/12/03/50/522120350.db2.gz JAWCZWSTZCZSJF-OAQYLSRUSA-N 1 1 452.576 4.303 50 0 JIAAMO COc1cc(C(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000022765991 522120357 /nfs/dbraw/zinc/12/03/57/522120357.db2.gz JAWCZWSTZCZSJF-OAQYLSRUSA-N 1 1 452.576 4.303 50 0 JIAAMO C[N@@H+](CCNC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O)C1CCCCC1 ZINC000065000232 522859914 /nfs/dbraw/zinc/85/99/14/522859914.db2.gz XFFBWAKHBVYCNN-UHFFFAOYSA-N 1 1 467.585 4.126 50 0 JIAAMO CC[C@H]1C[N@@H+](CCC(=O)NCc2csc(Cc3ccccc3)n2)Cc2cc(OC)ccc2O1 ZINC000012328654 523276882 /nfs/dbraw/zinc/27/68/82/523276882.db2.gz SBLGBVZTDISGFH-QFIPXVFZSA-N 1 1 465.619 4.422 50 0 JIAAMO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([N@@H+](C)Cc1nc3ccccc3s1)CC2 ZINC000014747135 523342643 /nfs/dbraw/zinc/34/26/43/523342643.db2.gz HEIKJCRRQXUFEW-LJQANCHMSA-N 1 1 459.619 4.291 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036304335 523737632 /nfs/dbraw/zinc/73/76/32/523737632.db2.gz BHPGLKSULNPAEO-DEOSSOPVSA-N 1 1 497.636 4.464 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036304335 523737639 /nfs/dbraw/zinc/73/76/39/523737639.db2.gz BHPGLKSULNPAEO-DEOSSOPVSA-N 1 1 497.636 4.464 50 0 JIAAMO CC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000020416978 523772902 /nfs/dbraw/zinc/77/29/02/523772902.db2.gz LIIPXLIZLLQWME-OHUGHZGNSA-N 1 1 477.653 4.239 50 0 JIAAMO CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036028444 523788074 /nfs/dbraw/zinc/78/80/74/523788074.db2.gz LHDBLZAXWNIYEH-UHFFFAOYSA-N 1 1 467.683 4.488 50 0 JIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095866 524014739 /nfs/dbraw/zinc/01/47/39/524014739.db2.gz MLISGACYGYSOIP-QHCPKHFHSA-N 1 1 465.546 4.012 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000020467751 524039384 /nfs/dbraw/zinc/03/93/84/524039384.db2.gz QHWAGSIUXUQCCR-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000020467751 524039386 /nfs/dbraw/zinc/03/93/86/524039386.db2.gz QHWAGSIUXUQCCR-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c2ccccc12 ZINC000012281612 524039797 /nfs/dbraw/zinc/03/97/97/524039797.db2.gz RMYYVMFROHMOQO-RUZDIDTESA-N 1 1 473.577 4.218 50 0 JIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(NC(=O)c3nnc(COc4ccccc4)s3)c2)C1 ZINC000033027266 524087562 /nfs/dbraw/zinc/08/75/62/524087562.db2.gz XQZYPCUGMRCWCS-IBGZPJMESA-N 1 1 493.633 4.221 50 0 JIAAMO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CC[N@@H+](C)C1CCCCC1 ZINC000021811423 524141470 /nfs/dbraw/zinc/14/14/70/524141470.db2.gz RMRXTYKQFSVLDO-WXJXEWBDSA-N 1 1 468.642 4.408 50 0 JIAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)CN3CCOCC3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306622 524782932 /nfs/dbraw/zinc/78/29/32/524782932.db2.gz ITHXRLJMXGGAPP-VWLOTQADSA-N 1 1 490.648 4.093 50 0 JIAAMO C[C@@H](NC(=O)c1ccc(C[N@@H+](CCO)Cc2ccccc2)[nH]c1=O)c1cccc2ccccc21 ZINC000014957941 525324649 /nfs/dbraw/zinc/32/46/49/525324649.db2.gz TXJRFGPLNHXWBO-HXUWFJFHSA-N 1 1 455.558 4.014 50 0 JIAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1 ZINC000033269500 525722826 /nfs/dbraw/zinc/72/28/26/525722826.db2.gz CRMCPRNPBSBCHB-UHFFFAOYSA-N 1 1 473.552 4.192 50 0 JIAAMO Cc1ccsc1C(=O)N1CCC[C@H](COc2cccc(C[N@@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014988629 525821542 /nfs/dbraw/zinc/82/15/42/525821542.db2.gz UQQRBVFCGVNIDE-NRFANRHFSA-N 1 1 452.624 4.353 50 0 JIAAMO Cc1ccsc1C(=O)N1CCC[C@H](COc2cccc(C[N@H+](C)Cc3cnn(C)c3)c2)C1 ZINC000014988629 525821551 /nfs/dbraw/zinc/82/15/51/525821551.db2.gz UQQRBVFCGVNIDE-NRFANRHFSA-N 1 1 452.624 4.353 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146856 525923836 /nfs/dbraw/zinc/92/38/36/525923836.db2.gz WYVSJIRABXPAHG-OZXSUGGESA-N 1 1 464.537 4.269 50 0 JIAAMO Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1C ZINC000022792453 526053830 /nfs/dbraw/zinc/05/38/30/526053830.db2.gz ZEIQVDSVKLZEQN-IVMVZBHWSA-N 1 1 494.639 4.387 50 0 JIAAMO Cc1sc2nc(C[N@@H+](C[C@@H](O)COCc3ccccc3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036204642 526890978 /nfs/dbraw/zinc/89/09/78/526890978.db2.gz UJNFASIJFSPMDQ-OAQYLSRUSA-N 1 1 455.624 4.314 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)NC1CCCCC1 ZINC000035456537 527349903 /nfs/dbraw/zinc/34/99/03/527349903.db2.gz LLGRNQUURWXWOR-UHFFFAOYSA-N 1 1 474.580 4.057 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)NC1CCCCC1 ZINC000035456537 527349909 /nfs/dbraw/zinc/34/99/09/527349909.db2.gz LLGRNQUURWXWOR-UHFFFAOYSA-N 1 1 474.580 4.057 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002197504 554089890 /nfs/dbraw/zinc/08/98/90/554089890.db2.gz ZRHLKICJDXMAIH-FXKZBUDASA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002197504 554089891 /nfs/dbraw/zinc/08/98/91/554089891.db2.gz ZRHLKICJDXMAIH-FXKZBUDASA-N 1 1 489.881 4.098 50 0 JIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002231586 554105667 /nfs/dbraw/zinc/10/56/67/554105667.db2.gz ZCPXEGOKYXYPQK-RPBOFIJWSA-N 1 1 466.497 4.286 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)C(=O)c2ccccc2)cc1 ZINC000003237274 554435131 /nfs/dbraw/zinc/43/51/31/554435131.db2.gz MPZWZQXPEIPROY-XNMGPUDCSA-N 1 1 469.585 4.485 50 0 JIAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000006577318 554552656 /nfs/dbraw/zinc/55/26/56/554552656.db2.gz QAEDBZFLINADKW-FQEVSTJZSA-N 1 1 496.995 4.093 50 0 JIAAMO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000008754801 554656353 /nfs/dbraw/zinc/65/63/53/554656353.db2.gz LZTPKNXBNIIBQK-UHFFFAOYSA-N 1 1 454.368 4.097 50 0 JIAAMO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008754801 554656355 /nfs/dbraw/zinc/65/63/55/554656355.db2.gz LZTPKNXBNIIBQK-UHFFFAOYSA-N 1 1 454.368 4.097 50 0 JIAAMO COc1ccc(-c2c(C)oc3cc(OCC[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)ccc3c2=O)cc1 ZINC000008878571 554773987 /nfs/dbraw/zinc/77/39/87/554773987.db2.gz BNNGYPJGSHPZJA-IRLDBZIGSA-N 1 1 498.579 4.437 50 0 biogenic JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933077 554826650 /nfs/dbraw/zinc/82/66/50/554826650.db2.gz MMSUPAUXFUREDL-HSZRJFAPSA-N 1 1 485.632 4.170 50 0 JIAAMO COc1ccccc1[C@H](CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)[NH+](C)C ZINC000009218157 554987070 /nfs/dbraw/zinc/98/70/70/554987070.db2.gz FPGHVZUPWZYMNG-QFIPXVFZSA-N 1 1 490.629 4.251 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227850 555000983 /nfs/dbraw/zinc/00/09/83/555000983.db2.gz MREQFXUVASCXOE-QFIPXVFZSA-N 1 1 481.641 4.201 50 0 JIAAMO CC[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289387 555063649 /nfs/dbraw/zinc/06/36/49/555063649.db2.gz CMMFYWSTSNNPPA-QFIPXVFZSA-N 1 1 474.630 4.435 50 0 JIAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000009432397 555201494 /nfs/dbraw/zinc/20/14/94/555201494.db2.gz ZJAIYEBJKKQQCR-JWQCQUIFSA-N 1 1 459.615 4.223 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009643626 555356475 /nfs/dbraw/zinc/35/64/75/555356475.db2.gz OWCFVWPGLXVKAC-UHFFFAOYSA-N 1 1 474.536 4.367 50 0 JIAAMO CC[N@@H+](CCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12)Cc1ccccc1 ZINC000009692082 555418497 /nfs/dbraw/zinc/41/84/97/555418497.db2.gz IURABMQPIFFSFK-UHFFFAOYSA-N 1 1 458.027 4.312 50 0 JIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1 ZINC000009613861 555449778 /nfs/dbraw/zinc/44/97/78/555449778.db2.gz JBOFSWHGKXTBQW-INIZCTEOSA-N 1 1 494.665 4.350 50 0 JIAAMO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019890988 555530202 /nfs/dbraw/zinc/53/02/02/555530202.db2.gz HIVFFHQEHJVQAG-UHFFFAOYSA-N 1 1 490.069 4.008 50 0 JIAAMO CSc1nsc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019921127 555539752 /nfs/dbraw/zinc/53/97/52/555539752.db2.gz BFADDCROHOFAML-UHFFFAOYSA-N 1 1 456.662 4.286 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1 ZINC000009841305 555544303 /nfs/dbraw/zinc/54/43/03/555544303.db2.gz HDDRMYWFMWAQAN-JOCHJYFZSA-N 1 1 480.682 4.195 50 0 JIAAMO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000014071360 555679246 /nfs/dbraw/zinc/67/92/46/555679246.db2.gz VNDAQFSJEIJHFY-XMMPIXPASA-N 1 1 481.618 4.452 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000014200405 555731963 /nfs/dbraw/zinc/73/19/63/555731963.db2.gz JNJODGWEEORRBG-KGLIPLIRSA-N 1 1 458.411 4.230 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCc1ccccc1OC(F)(F)F ZINC000011287679 555770989 /nfs/dbraw/zinc/77/09/89/555770989.db2.gz IKWCRECEEXYXTQ-GOSISDBHSA-N 1 1 450.457 4.200 50 0 JIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCc1ccccc1OC(F)(F)F ZINC000011287679 555770990 /nfs/dbraw/zinc/77/09/90/555770990.db2.gz IKWCRECEEXYXTQ-GOSISDBHSA-N 1 1 450.457 4.200 50 0 JIAAMO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014533688 555821845 /nfs/dbraw/zinc/82/18/45/555821845.db2.gz TZJMCDKTTDYWGF-CLCOLTQESA-N 1 1 497.039 4.039 50 0 JIAAMO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccncc3)C2)c1 ZINC000014536135 555825339 /nfs/dbraw/zinc/82/53/39/555825339.db2.gz JPHDMQADTKPCNN-BJKOFHAPSA-N 1 1 474.580 4.231 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575594 555830669 /nfs/dbraw/zinc/83/06/69/555830669.db2.gz ITOFPRBXCQEQSZ-UHFFFAOYSA-N 1 1 495.668 4.381 50 0 JIAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](C)CC1)occ3-c1ccc(Cl)cc1 ZINC000020591785 555838388 /nfs/dbraw/zinc/83/83/88/555838388.db2.gz KCRIRPVVLHXIGX-UHFFFAOYSA-N 1 1 450.922 4.485 50 0 JIAAMO CSc1nccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)C3)n1 ZINC000015004810 555849435 /nfs/dbraw/zinc/84/94/35/555849435.db2.gz HIFQDWKLOLHJDG-SIKLNZKXSA-N 1 1 496.036 4.171 50 0 JIAAMO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)c(OC)cc1Cl)CC2 ZINC000012052979 555896968 /nfs/dbraw/zinc/89/69/68/555896968.db2.gz QVMVMNCTWNFZRT-HXUWFJFHSA-N 1 1 473.013 4.327 50 0 JIAAMO COc1cc2c(cc1OC)C[N@H+](C1CCN(c3cccc(NC(=O)c4cccnc4)c3)CC1)CC2 ZINC000012054223 555897594 /nfs/dbraw/zinc/89/75/94/555897594.db2.gz CGFLIQHSEFCEQP-UHFFFAOYSA-N 1 1 472.589 4.378 50 0 JIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000015477254 555910492 /nfs/dbraw/zinc/91/04/92/555910492.db2.gz LWRNUHUVQYFFFF-JOCHJYFZSA-N 1 1 471.554 4.177 50 0 JIAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000012247879 555946983 /nfs/dbraw/zinc/94/69/83/555946983.db2.gz IMRIJCFMZBNTDC-VWLOTQADSA-N 1 1 460.626 4.328 50 0 JIAAMO CCCC[C@@H](CC)C(=O)NCCC[NH+]1CCN(CCCNC(=O)[C@@H](CC)CCCC)CC1 ZINC000022876418 555963199 /nfs/dbraw/zinc/96/31/99/555963199.db2.gz CCXXXAZPHJPDFJ-PSWAGMNNSA-N 1 1 452.728 4.049 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(C)c4C)CC3)n2)cc1OC ZINC000015726501 555965190 /nfs/dbraw/zinc/96/51/90/555965190.db2.gz SHRZNKNOXWCXGG-UHFFFAOYSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1F ZINC000012453647 555981095 /nfs/dbraw/zinc/98/10/95/555981095.db2.gz NYNYMGFHNZRMOL-OAQYLSRUSA-N 1 1 450.558 4.484 50 0 JIAAMO CCOc1cc2c(cc1NC(=O)CN1CCC[N@H+](Cc3ccc(Cl)cc3)CC1)O[C@H](C)C2 ZINC000022929560 555982004 /nfs/dbraw/zinc/98/20/04/555982004.db2.gz RMXBSCIVSSHNKG-GOSISDBHSA-N 1 1 458.002 4.209 50 0 JIAAMO CCOc1cc2c(cc1NC(=O)CN1CCC[N@@H+](Cc3ccc(Cl)cc3)CC1)O[C@H](C)C2 ZINC000022929560 555982006 /nfs/dbraw/zinc/98/20/06/555982006.db2.gz RMXBSCIVSSHNKG-GOSISDBHSA-N 1 1 458.002 4.209 50 0 JIAAMO Cc1ccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000022930583 555983855 /nfs/dbraw/zinc/98/38/55/555983855.db2.gz KNFWNLZUDTVDRA-UHFFFAOYSA-N 1 1 472.589 4.372 50 0 JIAAMO Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1C ZINC000022931189 555984103 /nfs/dbraw/zinc/98/41/03/555984103.db2.gz JWCPAZZRZVWNDC-UHFFFAOYSA-N 1 1 463.409 4.195 50 0 JIAAMO COc1cc2c(cc1OC)CN(Cn1nc(C[NH+]3CCCCC3)n(-c3ccccc3)c1=S)CC2 ZINC000012557813 556046450 /nfs/dbraw/zinc/04/64/50/556046450.db2.gz OHJMMYJXSGHGKG-UHFFFAOYSA-N 1 1 479.650 4.422 50 0 JIAAMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012568815 556070032 /nfs/dbraw/zinc/07/00/32/556070032.db2.gz BSXYRHGVPNYRRZ-UHFFFAOYSA-N 1 1 490.069 4.171 50 0 JIAAMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012568815 556070034 /nfs/dbraw/zinc/07/00/34/556070034.db2.gz BSXYRHGVPNYRRZ-UHFFFAOYSA-N 1 1 490.069 4.171 50 0 JIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012569213 556071362 /nfs/dbraw/zinc/07/13/62/556071362.db2.gz GHKOFNWCUNROIC-XMMPIXPASA-N 1 1 487.622 4.380 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001106 556105944 /nfs/dbraw/zinc/10/59/44/556105944.db2.gz VAPJNWMGRHXMGP-FXKZBUDASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001106 556105946 /nfs/dbraw/zinc/10/59/46/556105946.db2.gz VAPJNWMGRHXMGP-FXKZBUDASA-N 1 1 490.774 4.386 50 0 JIAAMO CCn1c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023983797 556112192 /nfs/dbraw/zinc/11/21/92/556112192.db2.gz IXCKYTKXJIMPLS-QHCPKHFHSA-N 1 1 454.621 4.247 50 0 JIAAMO Cc1cc(O)c([C@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000024022707 556116578 /nfs/dbraw/zinc/11/65/78/556116578.db2.gz BPQIVBWBRYZQPP-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO C[NH+](C)CCCN1C(=O)C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000024193000 556126085 /nfs/dbraw/zinc/12/60/85/556126085.db2.gz NQCWZIGLWWJFQM-SFHVURJKSA-N 1 1 469.390 4.072 50 0 JIAAMO O=C(c1cccc2ccccc21)N1CCC[C@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000024622537 556142934 /nfs/dbraw/zinc/14/29/34/556142934.db2.gz TVUNSIMLMFWRKU-VWLOTQADSA-N 1 1 455.602 4.079 50 0 JIAAMO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012974421 556166104 /nfs/dbraw/zinc/16/61/04/556166104.db2.gz QZTWDZQDTLZSQV-HSZRJFAPSA-N 1 1 467.591 4.062 50 0 JIAAMO Cc1cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000016993701 556197919 /nfs/dbraw/zinc/19/79/19/556197919.db2.gz SQAYDIFFGUCJLU-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)[nH+]1 ZINC000017012860 556203093 /nfs/dbraw/zinc/20/30/93/556203093.db2.gz MTNYEOXLDHHIKH-UHFFFAOYSA-N 1 1 485.613 4.291 50 0 JIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)n2)cc1 ZINC000017042661 556209069 /nfs/dbraw/zinc/20/90/69/556209069.db2.gz BVZZBWNAZDPRJA-UHFFFAOYSA-N 1 1 465.623 4.273 50 0 JIAAMO CCc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)[NH+](C)C)cc1 ZINC000018017135 556276755 /nfs/dbraw/zinc/27/67/55/556276755.db2.gz WEBRAEPSXNKFBQ-DEOSSOPVSA-N 1 1 481.618 4.091 50 0 JIAAMO O=C1C[C@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000018271558 556317961 /nfs/dbraw/zinc/31/79/61/556317961.db2.gz VCQZFBKXDXOXGX-DEOSSOPVSA-N 1 1 460.599 4.024 50 0 JIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCC2)cc1 ZINC000028289915 556327894 /nfs/dbraw/zinc/32/78/94/556327894.db2.gz PAEMSBSILZQIOG-LJQANCHMSA-N 1 1 471.351 4.131 50 0 JIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCC2)cc1 ZINC000028290786 556328324 /nfs/dbraw/zinc/32/83/24/556328324.db2.gz YAVPEPHATFUMBR-LJQANCHMSA-N 1 1 471.351 4.131 50 0 JIAAMO CCOC(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 ZINC000030181616 556364327 /nfs/dbraw/zinc/36/43/27/556364327.db2.gz IIFQIGGVODVYAS-UHFFFAOYSA-N 1 1 459.587 4.067 50 0 JIAAMO Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCCC[N@@H+](C)Cc3ccccc3)c2cc1C ZINC000032945079 556559623 /nfs/dbraw/zinc/55/96/23/556559623.db2.gz XKLVMFDBLOEWSP-SFHVURJKSA-N 1 1 474.527 4.231 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008610794 562947645 /nfs/dbraw/zinc/94/76/45/562947645.db2.gz XSWBRPNAFLKAGC-UHFFFAOYSA-N 1 1 491.611 4.167 50 0 JIAAMO CC[NH+]1CCN(C(=O)CCN(CC(C)C)c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000036381482 563127707 /nfs/dbraw/zinc/12/77/07/563127707.db2.gz HGBZXICMFNSRRB-UHFFFAOYSA-N 1 1 451.640 4.375 50 0 JIAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000057015900 569593970 /nfs/dbraw/zinc/59/39/70/569593970.db2.gz QHSZYTHCFMSJLE-IQGLISFBSA-N 1 1 479.602 4.167 50 0 JIAAMO COC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057414906 569600358 /nfs/dbraw/zinc/60/03/58/569600358.db2.gz UMGXXEYZHWSUCA-HSZRJFAPSA-N 1 1 453.970 4.076 50 0 JIAAMO C[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061878113 569609168 /nfs/dbraw/zinc/60/91/68/569609168.db2.gz YBVADDWGTRKBMK-KRWDZBQOSA-N 1 1 456.512 4.282 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061997749 569609949 /nfs/dbraw/zinc/60/99/49/569609949.db2.gz PICJIFBNVOJSFY-DARZMLDPSA-N 1 1 477.564 4.318 50 0 biogenic JIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC2CCCC2)s1 ZINC000064704312 569624899 /nfs/dbraw/zinc/62/48/99/569624899.db2.gz UIKSCRXEXKRMCS-LJQANCHMSA-N 1 1 495.697 4.239 50 0 JIAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000034676528 569641340 /nfs/dbraw/zinc/64/13/40/569641340.db2.gz HMTZVMYKGMHOCW-FQEVSTJZSA-N 1 1 462.421 4.295 50 0 JIAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC000034676528 569641342 /nfs/dbraw/zinc/64/13/42/569641342.db2.gz HMTZVMYKGMHOCW-FQEVSTJZSA-N 1 1 462.421 4.295 50 0 JIAAMO COc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1OC ZINC000034683248 569644265 /nfs/dbraw/zinc/64/42/65/569644265.db2.gz PFAPRMJNKUSVHE-UHFFFAOYSA-N 1 1 486.609 4.383 50 0 JIAAMO CC(C)c1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCC(C)CC4)c3C2)cc1 ZINC000034756580 569656447 /nfs/dbraw/zinc/65/64/47/569656447.db2.gz ALSGWXOGHPAFON-UHFFFAOYSA-N 1 1 491.684 4.178 50 0 JIAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787253 569659605 /nfs/dbraw/zinc/65/96/05/569659605.db2.gz WRJJTIDHBIACOS-HHHXNRCGSA-N 1 1 473.642 4.379 50 0 JIAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787253 569659607 /nfs/dbraw/zinc/65/96/07/569659607.db2.gz WRJJTIDHBIACOS-HHHXNRCGSA-N 1 1 473.642 4.379 50 0 JIAAMO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787332 569659633 /nfs/dbraw/zinc/65/96/33/569659633.db2.gz FHEYDMPNLCCXGH-MUUNZHRXSA-N 1 1 491.632 4.138 50 0 JIAAMO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787332 569659634 /nfs/dbraw/zinc/65/96/34/569659634.db2.gz FHEYDMPNLCCXGH-MUUNZHRXSA-N 1 1 491.632 4.138 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000034787903 569659951 /nfs/dbraw/zinc/65/99/51/569659951.db2.gz NMGLOCWAKWBJBV-DEOSSOPVSA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000034787903 569659952 /nfs/dbraw/zinc/65/99/52/569659952.db2.gz NMGLOCWAKWBJBV-DEOSSOPVSA-N 1 1 453.652 4.111 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000034787760 569660085 /nfs/dbraw/zinc/66/00/85/569660085.db2.gz UONPRRAZLKLTAK-AREMUKBSSA-N 1 1 477.605 4.128 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000034787760 569660087 /nfs/dbraw/zinc/66/00/87/569660087.db2.gz UONPRRAZLKLTAK-AREMUKBSSA-N 1 1 477.605 4.128 50 0 JIAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035404146 569691631 /nfs/dbraw/zinc/69/16/31/569691631.db2.gz HOMDMAKSSZKCKH-UHFFFAOYSA-N 1 1 495.549 4.329 50 0 JIAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035404146 569691632 /nfs/dbraw/zinc/69/16/32/569691632.db2.gz HOMDMAKSSZKCKH-UHFFFAOYSA-N 1 1 495.549 4.329 50 0 JIAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000035404534 569691640 /nfs/dbraw/zinc/69/16/40/569691640.db2.gz CNPUZDCRMICBRA-UHFFFAOYSA-N 1 1 479.987 4.103 50 0 JIAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000035404534 569691641 /nfs/dbraw/zinc/69/16/41/569691641.db2.gz CNPUZDCRMICBRA-UHFFFAOYSA-N 1 1 479.987 4.103 50 0 JIAAMO CCOC(=O)c1sc2nc(C)nc(N3CCC[C@H](C[N@@H+](C)Cc4cccnc4)C3)c2c1C ZINC000069367963 569692766 /nfs/dbraw/zinc/69/27/66/569692766.db2.gz VVZOPAAFJYYHQF-LJQANCHMSA-N 1 1 453.612 4.228 50 0 JIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000069576756 569693232 /nfs/dbraw/zinc/69/32/32/569693232.db2.gz UWUQRWHPYHTXPC-UHFFFAOYSA-N 1 1 499.537 4.295 50 0 JIAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@@H](C)O1 ZINC000070005586 569694647 /nfs/dbraw/zinc/69/46/47/569694647.db2.gz GMWHUPHPNGATAQ-LGVFNWMJSA-N 1 1 465.642 4.042 50 0 JIAAMO O=C(CN1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1)NCCc1ccc(OC(F)F)cc1 ZINC000071792464 569698428 /nfs/dbraw/zinc/69/84/28/569698428.db2.gz DZAOHXYYTJFWSW-RPWUZVMVSA-N 1 1 457.565 4.076 50 0 JIAAMO O=C(CN1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1)NCCc1ccc(OC(F)F)cc1 ZINC000071792465 569698543 /nfs/dbraw/zinc/69/85/43/569698543.db2.gz DZAOHXYYTJFWSW-ZEQRLZLVSA-N 1 1 457.565 4.076 50 0 JIAAMO O=S(=O)(c1ccccc1-c1nc(-c2ccccc2)no1)N1CC[NH+](C2CCCCC2)CC1 ZINC000085822552 569715720 /nfs/dbraw/zinc/71/57/20/569715720.db2.gz IAZHLCMRFMFMRG-UHFFFAOYSA-N 1 1 452.580 4.043 50 0 JIAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nc(C)[nH+]2)cc1 ZINC000096646350 569742705 /nfs/dbraw/zinc/74/27/05/569742705.db2.gz JNHLFBVWDNKGHA-UHFFFAOYSA-N 1 1 465.623 4.273 50 0 JIAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c(C(=O)N2CCCC2)c1)c1ccco1 ZINC000036001257 569745853 /nfs/dbraw/zinc/74/58/53/569745853.db2.gz KCXMDVCFCVNIKC-UHFFFAOYSA-N 1 1 476.552 4.229 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341148 569764353 /nfs/dbraw/zinc/76/43/53/569764353.db2.gz CNAYBHWDIOTPNA-YKSBVNFPSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341148 569764354 /nfs/dbraw/zinc/76/43/54/569764354.db2.gz CNAYBHWDIOTPNA-YKSBVNFPSA-N 1 1 483.996 4.301 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036342535 569765818 /nfs/dbraw/zinc/76/58/18/569765818.db2.gz RDNXXVZSIJVQPX-XMMPIXPASA-N 1 1 467.997 4.473 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345693 569768247 /nfs/dbraw/zinc/76/82/47/569768247.db2.gz RKSYOYGPBUFWBS-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345693 569768248 /nfs/dbraw/zinc/76/82/48/569768248.db2.gz RKSYOYGPBUFWBS-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CN1CCOCC1 ZINC000036346075 569768813 /nfs/dbraw/zinc/76/88/13/569768813.db2.gz LWUBUQLVWBFRGO-HSZRJFAPSA-N 1 1 482.600 4.017 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)CN1CCOCC1 ZINC000036346240 569769221 /nfs/dbraw/zinc/76/92/21/569769221.db2.gz OHJCPKMAQAQPAZ-VWLOTQADSA-N 1 1 496.627 4.263 50 0 JIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000036346412 569769628 /nfs/dbraw/zinc/76/96/28/569769628.db2.gz HPYAHOGTWZSMTQ-LADGPHEKSA-N 1 1 469.557 4.100 50 0 JIAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000036346412 569769629 /nfs/dbraw/zinc/76/96/29/569769629.db2.gz HPYAHOGTWZSMTQ-LADGPHEKSA-N 1 1 469.557 4.100 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036346443 569769839 /nfs/dbraw/zinc/76/98/39/569769839.db2.gz ZITXBIJBNSHSFU-RUZDIDTESA-N 1 1 494.611 4.017 50 0 JIAAMO CC(C)CNC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384517 569785607 /nfs/dbraw/zinc/78/56/07/569785607.db2.gz GVQMXQAUICGMIO-UHFFFAOYSA-N 1 1 481.666 4.049 50 0 JIAAMO Cc1cccc(-n2c(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nnc2-c2cccnc2)c1 ZINC000037398994 569787512 /nfs/dbraw/zinc/78/75/12/569787512.db2.gz HAGCTSZMMQFGRT-UHFFFAOYSA-N 1 1 484.629 4.318 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000037524857 569793301 /nfs/dbraw/zinc/79/33/01/569793301.db2.gz GVGIIIQXFMUGEH-UHFFFAOYSA-N 1 1 489.447 4.170 50 0 JIAAMO CC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(C)cc4)N23)CC1 ZINC000101920188 569807916 /nfs/dbraw/zinc/80/79/16/569807916.db2.gz XHACJDPETAQENB-DEOSSOPVSA-N 1 1 482.650 4.076 50 0 JIAAMO COc1ccccc1[C@@H]1CN(CC(=O)N(C)C[C@H]2CC[N@@H+](CC(C)C)C2)Cc2ccccc2O1 ZINC000039354682 569809327 /nfs/dbraw/zinc/80/93/27/569809327.db2.gz KTMOLJJWWDOPEM-AMGIVPHBSA-N 1 1 465.638 4.067 50 0 JIAAMO O=C(CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)Nc1cc2c(cc1Cl)OCO2 ZINC000039778261 569812069 /nfs/dbraw/zinc/81/20/69/569812069.db2.gz CBKLERZMIRWGBW-UHFFFAOYSA-N 1 1 469.891 4.234 50 0 JIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)c(Cl)c2)C1 ZINC000103581856 569836467 /nfs/dbraw/zinc/83/64/67/569836467.db2.gz WZDQLFMAWDYZPE-FYSMJZIKSA-N 1 1 491.419 4.429 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COC(C)C ZINC000105002714 569849152 /nfs/dbraw/zinc/84/91/52/569849152.db2.gz JQUDEFAMVSQVAS-JTHBVZDNSA-N 1 1 474.667 4.059 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009900 569850553 /nfs/dbraw/zinc/85/05/53/569850553.db2.gz NIDGGXDEXZOHAT-XUZZJYLKSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009900 569850554 /nfs/dbraw/zinc/85/05/54/569850554.db2.gz NIDGGXDEXZOHAT-XUZZJYLKSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012129 569851149 /nfs/dbraw/zinc/85/11/49/569851149.db2.gz DXAQKKGHBTVPCG-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012129 569851151 /nfs/dbraw/zinc/85/11/51/569851151.db2.gz DXAQKKGHBTVPCG-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000106744460 569855450 /nfs/dbraw/zinc/85/54/50/569855450.db2.gz MYATWHDSUZQVNR-XZOQPEGZSA-N 1 1 454.567 4.222 50 0 JIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000106744460 569855451 /nfs/dbraw/zinc/85/54/51/569855451.db2.gz MYATWHDSUZQVNR-XZOQPEGZSA-N 1 1 454.567 4.222 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3ccccc3Cl)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000169679661 569869857 /nfs/dbraw/zinc/86/98/57/569869857.db2.gz PNNNBHLZMCUODT-FYYLOGMGSA-N 1 1 461.002 4.377 50 0 JIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3ccccc3Cl)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000169679661 569869858 /nfs/dbraw/zinc/86/98/58/569869858.db2.gz PNNNBHLZMCUODT-FYYLOGMGSA-N 1 1 461.002 4.377 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000229886444 570041746 /nfs/dbraw/zinc/04/17/46/570041746.db2.gz WBXVAXJMDKXTKO-VHOQWXFLSA-N 1 1 470.500 4.463 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000229886444 570041747 /nfs/dbraw/zinc/04/17/47/570041747.db2.gz WBXVAXJMDKXTKO-VHOQWXFLSA-N 1 1 470.500 4.463 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c1 ZINC000230043957 570043958 /nfs/dbraw/zinc/04/39/58/570043958.db2.gz MFNIPGOPRSBYLE-PYOQLBSMSA-N 1 1 496.563 4.134 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c1 ZINC000230043957 570043960 /nfs/dbraw/zinc/04/39/60/570043960.db2.gz MFNIPGOPRSBYLE-PYOQLBSMSA-N 1 1 496.563 4.134 50 0 JIAAMO O=C1[C@@H]2[C@@H]3CCCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccc(F)cc4)C3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000230048083 570044158 /nfs/dbraw/zinc/04/41/58/570044158.db2.gz XBBKJXQYCRFCCP-JPPUBGEISA-N 1 1 495.554 4.242 50 0 JIAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245239378 570057724 /nfs/dbraw/zinc/05/77/24/570057724.db2.gz IFKGYTUXZYXLRX-MTTGRASBSA-N 1 1 468.642 4.408 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245245142 570058967 /nfs/dbraw/zinc/05/89/67/570058967.db2.gz AEFPDQHBOGSGGK-YDSTWLSQSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245245142 570058968 /nfs/dbraw/zinc/05/89/68/570058968.db2.gz AEFPDQHBOGSGGK-YDSTWLSQSA-N 1 1 489.881 4.098 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245279072 570061273 /nfs/dbraw/zinc/06/12/73/570061273.db2.gz BMUXZGFXTRAJCT-FGZHOGPDSA-N 1 1 483.584 4.397 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000245330375 570066682 /nfs/dbraw/zinc/06/66/82/570066682.db2.gz XXPALVIIUXDTOZ-KBMIEXCESA-N 1 1 453.652 4.191 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000245330375 570066684 /nfs/dbraw/zinc/06/66/84/570066684.db2.gz XXPALVIIUXDTOZ-KBMIEXCESA-N 1 1 453.652 4.191 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@H]1CCCO1 ZINC000245330380 570066852 /nfs/dbraw/zinc/06/68/52/570066852.db2.gz XXRCPFYLRVCLPP-MDNUFGMLSA-N 1 1 457.615 4.099 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247923190 570071208 /nfs/dbraw/zinc/07/12/08/570071208.db2.gz OPHPNPHFPLFZHW-SCYDXJQRSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247923190 570071209 /nfs/dbraw/zinc/07/12/09/570071209.db2.gz OPHPNPHFPLFZHW-SCYDXJQRSA-N 1 1 489.881 4.098 50 0 JIAAMO COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248139739 570075287 /nfs/dbraw/zinc/07/52/87/570075287.db2.gz BLENMZQNJMHXLZ-QFIPXVFZSA-N 1 1 475.637 4.187 50 0 JIAAMO COc1ccc(C[N@@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@H]32)cc1OC ZINC000248329314 570077740 /nfs/dbraw/zinc/07/77/40/570077740.db2.gz DFILFLBFZIMCIO-GUEUHJRUSA-N 1 1 457.611 4.202 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248339955 570078092 /nfs/dbraw/zinc/07/80/92/570078092.db2.gz UGKUDNJFAPISPO-GSRZOBFVSA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)C2)nc2ccccc21 ZINC000249693030 570078759 /nfs/dbraw/zinc/07/87/59/570078759.db2.gz NILXDZFSBOIHMR-HSZRJFAPSA-N 1 1 459.638 4.234 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000252518085 570082890 /nfs/dbraw/zinc/08/28/90/570082890.db2.gz ZLTDJHBOQGFQHN-YDSTWLSQSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252518085 570082892 /nfs/dbraw/zinc/08/28/92/570082892.db2.gz ZLTDJHBOQGFQHN-YDSTWLSQSA-N 1 1 490.774 4.386 50 0 JIAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000001298123 194082130 /nfs/dbraw/zinc/08/21/30/194082130.db2.gz UIKWWRYHNNJFHX-INIZCTEOSA-N 1 1 472.368 4.287 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cn2cc(Br)cn2)o1 ZINC000004174492 194382569 /nfs/dbraw/zinc/38/25/69/194382569.db2.gz CPVKIAHAOPJYAZ-QUCCMNQESA-N 1 1 455.356 4.043 50 0 JIAAMO COCC[N@H+](Cc1ccccc1)C[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000012642290 195071861 /nfs/dbraw/zinc/07/18/61/195071861.db2.gz RFIRGGAMRUWBHS-VWLOTQADSA-N 1 1 465.590 4.319 50 0 JIAAMO COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc2)c1 ZINC000012789828 195130908 /nfs/dbraw/zinc/13/09/08/195130908.db2.gz TVYAIGNPUSRWBQ-XMMPIXPASA-N 1 1 481.980 4.399 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(Br)cc1Br)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012816622 195146984 /nfs/dbraw/zinc/14/69/84/195146984.db2.gz TYJJAPISRCGXTH-GFCCVEGCSA-N 1 1 484.188 4.442 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(Br)cc1Br)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012816622 195146986 /nfs/dbraw/zinc/14/69/86/195146986.db2.gz TYJJAPISRCGXTH-GFCCVEGCSA-N 1 1 484.188 4.442 50 0 JIAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](CCc2ccncc2)CC1)occ3C(C)(C)C ZINC000020622278 195190311 /nfs/dbraw/zinc/19/03/11/195190311.db2.gz RGZPBZBPPGHRDF-UHFFFAOYSA-N 1 1 487.600 4.470 50 0 JIAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCCC[C@@H]3C)CC23CCCCC3)cc1 ZINC000020688048 195205541 /nfs/dbraw/zinc/20/55/41/195205541.db2.gz FQUWDKZMTAUNSB-LADGPHEKSA-N 1 1 470.727 4.385 50 0 JIAAMO COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000020920045 195247391 /nfs/dbraw/zinc/24/73/91/195247391.db2.gz MEDYIKFTLAWFPN-HNNXBMFYSA-N 1 1 482.046 4.134 50 0 JIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000058161578 195369075 /nfs/dbraw/zinc/36/90/75/195369075.db2.gz AJDJEASCEUBGGS-FYYLOGMGSA-N 1 1 454.014 4.221 50 0 JIAAMO CC(C)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@@H](C)O ZINC000036308901 519710005 /nfs/dbraw/zinc/71/00/05/519710005.db2.gz GULHOFFKYJGVCM-UTKZUKDTSA-N 1 1 451.032 4.245 50 0 JIAAMO CC(C)c1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccco2)n1 ZINC000014975755 519830684 /nfs/dbraw/zinc/83/06/84/519830684.db2.gz BEZFYRWDAYLAAG-HXUWFJFHSA-N 1 1 456.550 4.050 50 0 JIAAMO CCC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4C(F)(F)F)n3)c2C2CC2)CC1 ZINC000014987984 519856966 /nfs/dbraw/zinc/85/69/66/519856966.db2.gz NQWUCCATPWMSSS-UHFFFAOYSA-N 1 1 484.526 4.393 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146344 519881261 /nfs/dbraw/zinc/88/12/61/519881261.db2.gz AUAJDPWEJLRFCX-GGAORHGYSA-N 1 1 474.985 4.048 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036302702 520091267 /nfs/dbraw/zinc/09/12/67/520091267.db2.gz STQJGQIBVVTWJU-NRFANRHFSA-N 1 1 489.563 4.351 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036302702 520091279 /nfs/dbraw/zinc/09/12/79/520091279.db2.gz STQJGQIBVVTWJU-NRFANRHFSA-N 1 1 489.563 4.351 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)CC(C)C ZINC000036205431 520094339 /nfs/dbraw/zinc/09/43/39/520094339.db2.gz LWGVONSQUQYDBC-HNNXBMFYSA-N 1 1 450.004 4.160 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)CC(C)C ZINC000036205431 520094344 /nfs/dbraw/zinc/09/43/44/520094344.db2.gz LWGVONSQUQYDBC-HNNXBMFYSA-N 1 1 450.004 4.160 50 0 JIAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036302705 520151084 /nfs/dbraw/zinc/15/10/84/520151084.db2.gz STQJGQIBVVTWJU-OAQYLSRUSA-N 1 1 489.563 4.351 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036302705 520151096 /nfs/dbraw/zinc/15/10/96/520151096.db2.gz STQJGQIBVVTWJU-OAQYLSRUSA-N 1 1 489.563 4.351 50 0 JIAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccccc4nc3C(=O)N2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000033249205 520949299 /nfs/dbraw/zinc/94/92/99/520949299.db2.gz CUGWCVNIWMPABB-FLTMJYHISA-N 1 1 493.696 4.314 50 0 JIAAMO COc1cc(C)c(C[NH+]2CCN(Cc3nc4sc(-c5ccccc5)cc4c(=O)[nH]3)CC2)cc1OC ZINC000022789285 522191533 /nfs/dbraw/zinc/19/15/33/522191533.db2.gz YHSKABQANKYKPY-UHFFFAOYSA-N 1 1 490.629 4.295 50 0 JIAAMO COC(=O)CC[C@H]1C[N@H+](C2CCCCCC2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000014996173 523121890 /nfs/dbraw/zinc/12/18/90/523121890.db2.gz FAVJCOVOABVKCH-XUZZJYLKSA-N 1 1 458.643 4.428 50 0 JIAAMO CN(C)C(=O)C1CC[NH+](Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)CC1 ZINC000016695752 523971150 /nfs/dbraw/zinc/97/11/50/523971150.db2.gz OVEZFLQJIYNJAT-HSZRJFAPSA-N 1 1 459.384 4.357 50 0 JIAAMO Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000033034499 524219022 /nfs/dbraw/zinc/21/90/22/524219022.db2.gz GYNQXGCBGQUFDC-UHFFFAOYSA-N 1 1 457.622 4.050 50 0 JIAAMO Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)c3)s2)c1 ZINC000033027428 524766809 /nfs/dbraw/zinc/76/68/09/524766809.db2.gz DANGUBXJWZFIMY-IBGZPJMESA-N 1 1 493.633 4.282 50 0 JIAAMO COc1ccccc1[C@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[NH+](C)C ZINC000021557011 524790478 /nfs/dbraw/zinc/79/04/78/524790478.db2.gz QCMBBZVJSHZSQH-IBGZPJMESA-N 1 1 484.950 4.398 50 0 JIAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1 ZINC000020453604 525004569 /nfs/dbraw/zinc/00/45/69/525004569.db2.gz QZEATKBEPYJQJQ-SHQCIBLASA-N 1 1 487.648 4.162 50 0 JIAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000020452870 525007054 /nfs/dbraw/zinc/00/70/54/525007054.db2.gz HCBYVDOEQODWRY-UHFFFAOYSA-N 1 1 497.618 4.352 50 0 JIAAMO Cc1cc(N2CCC(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275054 525051600 /nfs/dbraw/zinc/05/16/00/525051600.db2.gz AWZUINHQRXYKSB-FQEVSTJZSA-N 1 1 478.616 4.051 50 0 JIAAMO COc1ccc(S(=O)(=O)NC[C@H](C)Oc2cccc(C[N@@H+](C)Cc3ccsc3)c2)cc1OC ZINC000012198443 525061753 /nfs/dbraw/zinc/06/17/53/525061753.db2.gz RRTOFKGUZFGHMG-SFHVURJKSA-N 1 1 490.647 4.143 50 0 JIAAMO COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1OC ZINC000038546432 525381546 /nfs/dbraw/zinc/38/15/46/525381546.db2.gz BSHRRHGJOCIPLU-JOCHJYFZSA-N 1 1 455.580 4.256 50 0 JIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)cc1 ZINC000036309552 525441007 /nfs/dbraw/zinc/44/10/07/525441007.db2.gz GABOQKQKKIPFTH-DHLKQENFSA-N 1 1 486.678 4.059 50 0 JIAAMO Cc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)s2)cc1 ZINC000033032238 525450259 /nfs/dbraw/zinc/45/02/59/525450259.db2.gz RAQYMFCJHTUHBO-LJQANCHMSA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CC[N@H+](C)C2CCCCC2)C3=O)o1 ZINC000021810870 525618256 /nfs/dbraw/zinc/61/82/56/525618256.db2.gz OWKZHZULFNHINB-HHHXNRCGSA-N 1 1 468.642 4.471 50 0 JIAAMO Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1C ZINC000022792447 525872562 /nfs/dbraw/zinc/87/25/62/525872562.db2.gz ZEIQVDSVKLZEQN-GUMLZEOTSA-N 1 1 494.639 4.387 50 0 JIAAMO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022698279 525980536 /nfs/dbraw/zinc/98/05/36/525980536.db2.gz ACDSTCSZRMCSOQ-HHHXNRCGSA-N 1 1 470.573 4.119 50 0 JIAAMO COc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000035456338 526182385 /nfs/dbraw/zinc/18/23/85/526182385.db2.gz JAMIVPFGLHUURT-UHFFFAOYSA-N 1 1 494.595 4.424 50 0 JIAAMO COc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000035456338 526182394 /nfs/dbraw/zinc/18/23/94/526182394.db2.gz JAMIVPFGLHUURT-UHFFFAOYSA-N 1 1 494.595 4.424 50 0 JIAAMO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(N2CC[NH+](CCO)CC2)n1 ZINC000020395000 526216162 /nfs/dbraw/zinc/21/61/62/526216162.db2.gz XZKZBJOLRVCKNY-UHFFFAOYSA-N 1 1 477.659 4.231 50 0 JIAAMO CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(N2CC[NH+](CCO)CC2)n1 ZINC000020358408 526216915 /nfs/dbraw/zinc/21/69/15/526216915.db2.gz LLPFHLVWRSYRPU-UHFFFAOYSA-N 1 1 487.695 4.050 50 0 JIAAMO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060364 526301814 /nfs/dbraw/zinc/30/18/14/526301814.db2.gz BCRKEPUDABTFIW-UHFFFAOYSA-N 1 1 484.025 4.128 50 0 JIAAMO O=C([C@@H]1CC12CCN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014996759 526461105 /nfs/dbraw/zinc/46/11/05/526461105.db2.gz AYARFIMYWYNMBX-ZFPFZJSRSA-N 1 1 475.677 4.176 50 0 JIAAMO O=C(c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000004124197 526891486 /nfs/dbraw/zinc/89/14/86/526891486.db2.gz KYJVEVYPMJPTRN-OAHLLOKOSA-N 1 1 494.315 4.098 50 0 JIAAMO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@H](c1cccnc1)N1CCCCC1 ZINC000014986644 526989338 /nfs/dbraw/zinc/98/93/38/526989338.db2.gz JVHRSHIVHBDAHO-JTHBVZDNSA-N 1 1 485.028 4.162 50 0 JIAAMO O=C1N[C@](c2ccccn2)(C2CC[NH+](Cc3ccc(F)cc3F)CC2)C(=O)N1CCc1cccs1 ZINC000014888310 527086532 /nfs/dbraw/zinc/08/65/32/527086532.db2.gz SMQYBJCBKWQZMX-SANMLTNESA-N 1 1 496.583 4.323 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002338121 554154953 /nfs/dbraw/zinc/15/49/53/554154953.db2.gz PRQCOHVPGGEQMN-LHZHZUFTSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002338121 554154956 /nfs/dbraw/zinc/15/49/56/554154956.db2.gz PRQCOHVPGGEQMN-LHZHZUFTSA-N 1 1 490.774 4.386 50 0 JIAAMO COc1ccc([C@@H]2C[C@@H]3C[C@H](COC(=O)c4cc(OC)c(OC)c(OC)c4)CC[N@H+]3C2)cc1 ZINC000005220681 554487149 /nfs/dbraw/zinc/48/71/49/554487149.db2.gz VEJCWCSDKURLNQ-UIFIKXQLSA-N 1 1 455.551 4.146 50 0 biogenic JIAAMO O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000006161517 554513671 /nfs/dbraw/zinc/51/36/71/554513671.db2.gz NUSDZDKOZBXZOO-UHFFFAOYSA-N 1 1 466.788 4.162 50 0 JIAAMO CCCC[N@@H+](CCCNC(=O)CN1c2cc(C)ccc2O[C@@H](CC)C1=O)Cc1ccccc1 ZINC000008812253 554693535 /nfs/dbraw/zinc/69/35/35/554693535.db2.gz GLXKTTKQPMVOMP-DEOSSOPVSA-N 1 1 451.611 4.308 50 0 JIAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000008965372 554839740 /nfs/dbraw/zinc/83/97/40/554839740.db2.gz ABLWCFDMNCPKBK-UHFFFAOYSA-N 1 1 497.643 4.149 50 0 JIAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000009045424 554870014 /nfs/dbraw/zinc/87/00/14/554870014.db2.gz ZUEYGJSJWQHDKE-HHHXNRCGSA-N 1 1 484.596 4.365 50 0 JIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009125209 554917369 /nfs/dbraw/zinc/91/73/69/554917369.db2.gz YTVVCZWZDWNXPY-UHFFFAOYSA-N 1 1 483.663 4.473 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(-n3c(C)cc4ccccc43)s2)CC1 ZINC000009229205 555003544 /nfs/dbraw/zinc/00/35/44/555003544.db2.gz DSPZPJKQYULAQE-JOCHJYFZSA-N 1 1 478.662 4.453 50 0 JIAAMO COc1ccc(OC)c(CNCc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1 ZINC000009265774 555041668 /nfs/dbraw/zinc/04/16/68/555041668.db2.gz MTRSLUUUEUVOLR-UHFFFAOYSA-N 1 1 496.681 4.091 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009501965 555286383 /nfs/dbraw/zinc/28/63/83/555286383.db2.gz BPRRMSGONHHJPM-UHFFFAOYSA-N 1 1 455.599 4.171 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000009730281 555465214 /nfs/dbraw/zinc/46/52/14/555465214.db2.gz TWJQJXPZLWOGHB-OAQYLSRUSA-N 1 1 455.605 4.349 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000009730281 555465218 /nfs/dbraw/zinc/46/52/18/555465218.db2.gz TWJQJXPZLWOGHB-OAQYLSRUSA-N 1 1 455.605 4.349 50 0 JIAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000019890299 555529837 /nfs/dbraw/zinc/52/98/37/555529837.db2.gz SYOZSPZHZBPQPE-QHCPKHFHSA-N 1 1 468.981 4.493 50 0 JIAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCc1ccccc1)C3 ZINC000019940179 555558168 /nfs/dbraw/zinc/55/81/68/555558168.db2.gz PYZKIHQNIVONFO-UHFFFAOYSA-N 1 1 491.638 4.313 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000019944113 555562372 /nfs/dbraw/zinc/56/23/72/555562372.db2.gz LYRFUHQHRNFVRN-FQEVSTJZSA-N 1 1 479.024 4.229 50 0 JIAAMO Cc1ccc(C(C)C)c(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3cc(C)ccc3C(C)C)CC2)c1 ZINC000020034458 555609170 /nfs/dbraw/zinc/60/91/70/555609170.db2.gz TWIFJHYVLLDHQU-CLJLJLNGSA-N 1 1 498.708 4.347 50 0 biogenic JIAAMO C[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3[C@H]2c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000013839192 555630906 /nfs/dbraw/zinc/63/09/06/555630906.db2.gz MPQJBOAEURRHGN-NDEPHWFRSA-N 1 1 464.569 4.154 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000020108835 555644066 /nfs/dbraw/zinc/64/40/66/555644066.db2.gz KVAOPTHHEFJMMN-BKJLSBSTSA-N 1 1 495.639 4.237 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116165 555653636 /nfs/dbraw/zinc/65/36/36/555653636.db2.gz LYPQJCJALBTQDU-AEYMSQMJSA-N 1 1 451.655 4.073 50 0 JIAAMO CC(=O)NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020309777 555767458 /nfs/dbraw/zinc/76/74/58/555767458.db2.gz KOQIXZUTDNZKQW-UHFFFAOYSA-N 1 1 472.614 4.067 50 0 JIAAMO CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020568048 555821385 /nfs/dbraw/zinc/82/13/85/555821385.db2.gz YWHWCHTZKKWZJE-UHFFFAOYSA-N 1 1 489.641 4.330 50 0 JIAAMO CN1CCN(c2nc(-c3ccsc3)ccc2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000011788289 555822599 /nfs/dbraw/zinc/82/25/99/555822599.db2.gz LSMPQOQAZOUPSO-UHFFFAOYSA-N 1 1 481.710 4.481 50 0 JIAAMO CCOc1ccc2nc(N3CCC[N@@H+](Cc4cc(OC)c(OC)cc4OC)CC3)nc(C)c2c1 ZINC000011789210 555823824 /nfs/dbraw/zinc/82/38/24/555823824.db2.gz GOOXVVNVVAFCET-UHFFFAOYSA-N 1 1 466.582 4.075 50 0 JIAAMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1C ZINC000011838832 555832108 /nfs/dbraw/zinc/83/21/08/555832108.db2.gz NTHZFBFGZUSJAG-QHCPKHFHSA-N 1 1 450.627 4.048 50 0 JIAAMO CC1=C(CC[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)C(C)(C)CCC1 ZINC000011870167 555846314 /nfs/dbraw/zinc/84/63/14/555846314.db2.gz GIDBSFQDAPCFPX-OAQYLSRUSA-N 1 1 465.642 4.309 50 0 JIAAMO COc1cc(Cl)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000015005292 555849877 /nfs/dbraw/zinc/84/98/77/555849877.db2.gz SNXOUQHIOPSWST-QFIPXVFZSA-N 1 1 484.040 4.308 50 0 JIAAMO C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000011975272 555875591 /nfs/dbraw/zinc/87/55/91/555875591.db2.gz BVEYPAWZLWFWNM-MRXNPFEDSA-N 1 1 494.571 4.229 50 0 JIAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000012124500 555909954 /nfs/dbraw/zinc/90/99/54/555909954.db2.gz KNTJGZTWSBFJJR-KRWDZBQOSA-N 1 1 453.537 4.229 50 0 JIAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000022325234 555922052 /nfs/dbraw/zinc/92/20/52/555922052.db2.gz KQLOOOKJHDHUGD-HZPDHXFCSA-N 1 1 456.641 4.115 50 0 JIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012160630 555930650 /nfs/dbraw/zinc/93/06/50/555930650.db2.gz AZWYERBMXBSWEV-GBXCKJPGSA-N 1 1 490.570 4.066 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012160630 555930652 /nfs/dbraw/zinc/93/06/52/555930652.db2.gz AZWYERBMXBSWEV-GBXCKJPGSA-N 1 1 490.570 4.066 50 0 JIAAMO CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NCC[C@@H]2CCC[N@H+]2C)CC1 ZINC000012166971 555933430 /nfs/dbraw/zinc/93/34/30/555933430.db2.gz RXWNGQLXVQCJIB-FQEVSTJZSA-N 1 1 484.666 4.112 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)n2)cc1OC ZINC000015726254 555963888 /nfs/dbraw/zinc/96/38/88/555963888.db2.gz KMCJXMPJBCXGQC-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)n2)cc1OC ZINC000015726254 555963890 /nfs/dbraw/zinc/96/38/90/555963890.db2.gz KMCJXMPJBCXGQC-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(C)c4ccc(C)c(C)c4)CC3)n2)cc1OC ZINC000015726360 555964297 /nfs/dbraw/zinc/96/42/97/555964297.db2.gz AJGLPRCKJFBBME-UHFFFAOYSA-N 1 1 464.566 4.246 50 0 JIAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)CC1 ZINC000023175096 556026943 /nfs/dbraw/zinc/02/69/43/556026943.db2.gz HLARJPPAPYIBNO-FPOVZHCZSA-N 1 1 497.690 4.183 50 0 JIAAMO CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3[nH]2)cc1 ZINC000015863828 556038128 /nfs/dbraw/zinc/03/81/28/556038128.db2.gz DXVKTUUUEAVJIG-UHFFFAOYSA-N 1 1 461.610 4.497 50 0 JIAAMO O=C(Nc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1Cl)c1cccs1 ZINC000023538094 556077011 /nfs/dbraw/zinc/07/70/11/556077011.db2.gz NDBSOFXHUNJDDL-UHFFFAOYSA-N 1 1 462.015 4.419 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009983 556108991 /nfs/dbraw/zinc/10/89/91/556108991.db2.gz PDLCOTZAEQZHFB-ZEMPLXOASA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000016009983 556108994 /nfs/dbraw/zinc/10/89/94/556108994.db2.gz PDLCOTZAEQZHFB-ZEMPLXOASA-N 1 1 470.356 4.041 50 0 JIAAMO COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccncc3)[NH+]3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000024022757 556116504 /nfs/dbraw/zinc/11/65/04/556116504.db2.gz WSGUPBAINBHUGG-GDLZYMKVSA-N 1 1 496.611 4.226 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000016033289 556117300 /nfs/dbraw/zinc/11/73/00/556117300.db2.gz DJEIXMPUWMBXGD-JVFUWBCBSA-N 1 1 467.953 4.096 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000016033289 556117302 /nfs/dbraw/zinc/11/73/02/556117302.db2.gz DJEIXMPUWMBXGD-JVFUWBCBSA-N 1 1 467.953 4.096 50 0 JIAAMO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000012909836 556128874 /nfs/dbraw/zinc/12/88/74/556128874.db2.gz CVJCJTHGGKVPLF-RPLLCQBOSA-N 1 1 484.575 4.039 50 0 JIAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016248270 556131121 /nfs/dbraw/zinc/13/11/21/556131121.db2.gz HSUXDTKSLVGUAT-UHFFFAOYSA-N 1 1 498.048 4.040 50 0 JIAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000012920333 556139047 /nfs/dbraw/zinc/13/90/47/556139047.db2.gz CJLLWMPZCCBWNC-AWEZNQCLSA-N 1 1 456.896 4.302 50 0 JIAAMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000012920333 556139050 /nfs/dbraw/zinc/13/90/50/556139050.db2.gz CJLLWMPZCCBWNC-AWEZNQCLSA-N 1 1 456.896 4.302 50 0 JIAAMO C[C@H]([NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000024985072 556169700 /nfs/dbraw/zinc/16/97/00/556169700.db2.gz URPVCNAFVIIMRI-HTAPYJJXSA-N 1 1 491.569 4.458 50 0 JIAAMO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993560 556197477 /nfs/dbraw/zinc/19/74/77/556197477.db2.gz TUIUDGLBGZPRJP-NDEPHWFRSA-N 1 1 484.575 4.356 50 0 JIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)cc1 ZINC000017012202 556201960 /nfs/dbraw/zinc/20/19/60/556201960.db2.gz HNQZZAFDPIPHQG-UHFFFAOYSA-N 1 1 455.921 4.292 50 0 JIAAMO O=C(Cc1csc(NC(=O)c2ccco2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017356565 556259350 /nfs/dbraw/zinc/25/93/50/556259350.db2.gz HRPCZROWMJWPKD-UHFFFAOYSA-N 1 1 486.597 4.465 50 0 JIAAMO COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000019358571 556345003 /nfs/dbraw/zinc/34/50/03/556345003.db2.gz YLRFJLXWGXUISZ-LJQANCHMSA-N 1 1 491.654 4.359 50 0 JIAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032593953 556448237 /nfs/dbraw/zinc/44/82/37/556448237.db2.gz MORCRDPDUZIXBJ-FQEVSTJZSA-N 1 1 453.926 4.333 50 0 JIAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)c(OC)c3)[NH+]3CCCCC3)no2)cc1 ZINC000032623091 556452986 /nfs/dbraw/zinc/45/29/86/556452986.db2.gz WMTMTMBHWGBEPX-QFIPXVFZSA-N 1 1 465.550 4.324 50 0 JIAAMO COc1cccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000008617152 562948181 /nfs/dbraw/zinc/94/81/81/562948181.db2.gz QIDKEOUPLOOIRV-NDEPHWFRSA-N 1 1 485.584 4.424 50 0 aggregator JIAAMO COc1ccccc1N1CC[NH+](CCN2C(=O)CC(=C3c4ccccc4-c4ccccc43)C2=O)CC1 ZINC000053092585 563205045 /nfs/dbraw/zinc/20/50/45/563205045.db2.gz PZWNEECYKUPZOR-UHFFFAOYSA-N 1 1 479.580 4.059 50 0 JIAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@@H]3CCOC3)ccc2c1NC(=O)c1ccc(C)cc1C ZINC000055309233 569591465 /nfs/dbraw/zinc/59/14/65/569591465.db2.gz FVQJLMKQKURXIL-QGZVFWFLSA-N 1 1 453.564 4.173 50 0 JIAAMO O=C(C[NH+]1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008694529 569593155 /nfs/dbraw/zinc/59/31/55/569593155.db2.gz XRAARDKAXPTEJC-UHFFFAOYSA-N 1 1 460.563 4.470 50 0 JIAAMO Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000064450533 569617251 /nfs/dbraw/zinc/61/72/51/569617251.db2.gz MLUMOOKOXVBLFL-HNNXBMFYSA-N 1 1 478.615 4.313 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1)C1CCCCC1 ZINC000033018561 569618358 /nfs/dbraw/zinc/61/83/58/569618358.db2.gz PKHIBMATSVDZLF-UHFFFAOYSA-N 1 1 471.605 4.082 50 0 JIAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c(C)c1 ZINC000064802155 569631906 /nfs/dbraw/zinc/63/19/06/569631906.db2.gz IAMIELIJCKWPNM-UHFFFAOYSA-N 1 1 467.595 4.091 50 0 JIAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000034676634 569641467 /nfs/dbraw/zinc/64/14/67/569641467.db2.gz KFNFTTUDRKRHLV-UHFFFAOYSA-N 1 1 477.996 4.181 50 0 JIAAMO Cc1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)cc1 ZINC000034757172 569656824 /nfs/dbraw/zinc/65/68/24/569656824.db2.gz USKRUROLUDWMSF-UHFFFAOYSA-N 1 1 494.546 4.198 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034829738 569663421 /nfs/dbraw/zinc/66/34/21/569663421.db2.gz QTBRXHCTMXGSEL-NFQMXDRXSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034829738 569663423 /nfs/dbraw/zinc/66/34/23/569663423.db2.gz QTBRXHCTMXGSEL-NFQMXDRXSA-N 1 1 493.698 4.368 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000034829935 569663570 /nfs/dbraw/zinc/66/35/70/569663570.db2.gz IINYFWUSOHKGKV-FNZWTVRRSA-N 1 1 480.678 4.271 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000034829935 569663572 /nfs/dbraw/zinc/66/35/72/569663572.db2.gz IINYFWUSOHKGKV-FNZWTVRRSA-N 1 1 480.678 4.271 50 0 JIAAMO CC(C)c1cc(=O)n(CC2CC2)c2cc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000034836245 569665215 /nfs/dbraw/zinc/66/52/15/569665215.db2.gz UCSLXDPVIVEAIQ-UHFFFAOYSA-N 1 1 473.617 4.258 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)[C@H](c3ccco3)C2)cc1 ZINC000034890395 569669307 /nfs/dbraw/zinc/66/93/07/569669307.db2.gz NKSXJLAMASCYPH-OFVILXPXSA-N 1 1 486.572 4.317 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)[C@H](c3ccco3)C2)cc1 ZINC000034890395 569669309 /nfs/dbraw/zinc/66/93/09/569669309.db2.gz NKSXJLAMASCYPH-OFVILXPXSA-N 1 1 486.572 4.317 50 0 JIAAMO Cc1ccc(-c2ccc(N3CCC(C(=O)NCCC[N@H+](C)Cc4ccccc4)CC3)nn2)cc1 ZINC000035398507 569689050 /nfs/dbraw/zinc/68/90/50/569689050.db2.gz MXAZNUBOIXGOHV-UHFFFAOYSA-N 1 1 457.622 4.307 50 0 JIAAMO CCOC(=O)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427006 569694047 /nfs/dbraw/zinc/69/40/47/569694047.db2.gz PFBCVGWFGTXGMN-HSZRJFAPSA-N 1 1 499.036 4.358 50 0 JIAAMO CCOC(=O)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427006 569694048 /nfs/dbraw/zinc/69/40/48/569694048.db2.gz PFBCVGWFGTXGMN-HSZRJFAPSA-N 1 1 499.036 4.358 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851787 569716643 /nfs/dbraw/zinc/71/66/43/569716643.db2.gz KXOXXXPWMZQJKL-PRHHBONVSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851787 569716645 /nfs/dbraw/zinc/71/66/45/569716645.db2.gz KXOXXXPWMZQJKL-PRHHBONVSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000035855265 569717032 /nfs/dbraw/zinc/71/70/32/569717032.db2.gz APXNAVZKLNVVHV-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000035855265 569717033 /nfs/dbraw/zinc/71/70/33/569717033.db2.gz APXNAVZKLNVVHV-NARGUJOISA-N 1 1 470.356 4.041 50 0 JIAAMO COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035870694 569718236 /nfs/dbraw/zinc/71/82/36/569718236.db2.gz UIZAPOUNWAUTMS-XTEPFMGCSA-N 1 1 473.592 4.056 50 0 JIAAMO CC[N@@H+](Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2)C(C)(C)CO ZINC000035887365 569720814 /nfs/dbraw/zinc/72/08/14/569720814.db2.gz ASYRHHRNIIGLDS-UHFFFAOYSA-N 1 1 450.602 4.471 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036256935 569758856 /nfs/dbraw/zinc/75/88/56/569758856.db2.gz CIVHMCANLIANCG-SQJMNOBHSA-N 1 1 489.104 4.037 50 0 JIAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000036312182 569760183 /nfs/dbraw/zinc/76/01/83/569760183.db2.gz SSBZTMWNNAIGDN-UHFFFAOYSA-N 1 1 484.547 4.051 50 0 JIAAMO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)c1Cc1ccc(C)cc1 ZINC000036340634 569763924 /nfs/dbraw/zinc/76/39/24/569763924.db2.gz IJDNKWNNRXBTSG-RUZDIDTESA-N 1 1 474.649 4.117 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341149 569764387 /nfs/dbraw/zinc/76/43/87/569764387.db2.gz CNAYBHWDIOTPNA-RDPSFJRHSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341149 569764388 /nfs/dbraw/zinc/76/43/88/569764388.db2.gz CNAYBHWDIOTPNA-RDPSFJRHSA-N 1 1 483.996 4.301 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036342529 569765825 /nfs/dbraw/zinc/76/58/25/569765825.db2.gz JTUPIPGVTHBZQR-HSZRJFAPSA-N 1 1 453.970 4.165 50 0 JIAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)c1 ZINC000036342536 569765982 /nfs/dbraw/zinc/76/59/82/569765982.db2.gz USZMKRFCDRQOHX-DEOSSOPVSA-N 1 1 467.997 4.473 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346619 569770306 /nfs/dbraw/zinc/77/03/06/569770306.db2.gz JACVJMZBKXEVHV-QHCPKHFHSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346619 569770307 /nfs/dbraw/zinc/77/03/07/569770307.db2.gz JACVJMZBKXEVHV-QHCPKHFHSA-N 1 1 489.563 4.486 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344550 569793761 /nfs/dbraw/zinc/79/37/61/569793761.db2.gz LFTONDLZUNVIIA-SYSFZUQMSA-N 1 1 470.356 4.041 50 0 JIAAMO CC(C)N(C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000040152867 569820403 /nfs/dbraw/zinc/82/04/03/569820403.db2.gz ILCCEFSVRFWGOB-FCHUYYIVSA-N 1 1 488.673 4.208 50 0 JIAAMO CC(C)N(C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000040152867 569820404 /nfs/dbraw/zinc/82/04/04/569820404.db2.gz ILCCEFSVRFWGOB-FCHUYYIVSA-N 1 1 488.673 4.208 50 0 JIAAMO CCn1c(C[NH2+][C@@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000040161523 569822707 /nfs/dbraw/zinc/82/27/07/569822707.db2.gz BHCLFLZETWSONU-SFHVURJKSA-N 1 1 456.612 4.090 50 0 JIAAMO O=C(NCc1cccc(Br)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930066 569834698 /nfs/dbraw/zinc/83/46/98/569834698.db2.gz SBGXWTVZDJQWHN-UHFFFAOYSA-N 1 1 455.356 4.028 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984444 569848544 /nfs/dbraw/zinc/84/85/44/569848544.db2.gz AUAJDPWEJLRFCX-FYYLOGMGSA-N 1 1 474.985 4.048 50 0 JIAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984581 569848649 /nfs/dbraw/zinc/84/86/49/569848649.db2.gz BZLVYKWTJBNSBW-WOJBJXKFSA-N 1 1 474.985 4.240 50 0 JIAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984581 569848650 /nfs/dbraw/zinc/84/86/50/569848650.db2.gz BZLVYKWTJBNSBW-WOJBJXKFSA-N 1 1 474.985 4.240 50 0 JIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000105013719 569851308 /nfs/dbraw/zinc/85/13/08/569851308.db2.gz HPYAHOGTWZSMTQ-VWNXMTODSA-N 1 1 469.557 4.100 50 0 JIAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000105013719 569851309 /nfs/dbraw/zinc/85/13/09/569851309.db2.gz HPYAHOGTWZSMTQ-VWNXMTODSA-N 1 1 469.557 4.100 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000105061803 569852684 /nfs/dbraw/zinc/85/26/84/569852684.db2.gz UDZJUEYWVZNLJR-YKSBVNFPSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000109042001 569860455 /nfs/dbraw/zinc/86/04/55/569860455.db2.gz OZXFILOLKOWSRY-UNMCSNQZSA-N 1 1 497.636 4.138 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000109042001 569860456 /nfs/dbraw/zinc/86/04/56/569860456.db2.gz OZXFILOLKOWSRY-UNMCSNQZSA-N 1 1 497.636 4.138 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169679230 569869536 /nfs/dbraw/zinc/86/95/36/569869536.db2.gz XSDFBYVWSWWGRS-LADGPHEKSA-N 1 1 494.657 4.187 50 0 JIAAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679283 569869627 /nfs/dbraw/zinc/86/96/27/569869627.db2.gz ZCKXFIHMXDKWNO-UPVQGACJSA-N 1 1 472.555 4.065 50 0 JIAAMO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679350 569869630 /nfs/dbraw/zinc/86/96/30/569869630.db2.gz XOVIIFHZYVUAEM-FPOVZHCZSA-N 1 1 451.920 4.358 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@@H](C)C1 ZINC000169679841 569869992 /nfs/dbraw/zinc/86/99/92/569869992.db2.gz JIXJTVLNXWVRHU-CCLHPLFOSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@@H](C)C1 ZINC000169679841 569869993 /nfs/dbraw/zinc/86/99/93/569869993.db2.gz JIXJTVLNXWVRHU-CCLHPLFOSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc1 ZINC000169680592 569870579 /nfs/dbraw/zinc/87/05/79/569870579.db2.gz XXMPFRCLWKGSSW-FNZWTVRRSA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C3CCCC3)[C@@H](C)C2)cc1 ZINC000169680592 569870580 /nfs/dbraw/zinc/87/05/80/569870580.db2.gz XXMPFRCLWKGSSW-FNZWTVRRSA-N 1 1 465.663 4.254 50 0 JIAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000169681712 569870871 /nfs/dbraw/zinc/87/08/71/569870871.db2.gz YFQMTLMAFDFKPY-IRLDBZIGSA-N 1 1 498.963 4.235 50 0 JIAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000169681712 569870872 /nfs/dbraw/zinc/87/08/72/569870872.db2.gz YFQMTLMAFDFKPY-IRLDBZIGSA-N 1 1 498.963 4.235 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169774698 569872464 /nfs/dbraw/zinc/87/24/64/569872464.db2.gz SBQFQZWQNFOQSX-SVBPBHIXSA-N 1 1 493.648 4.169 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000230129909 570045437 /nfs/dbraw/zinc/04/54/37/570045437.db2.gz QLIWHDWHGHXULO-SQHAQQRYSA-N 1 1 477.555 4.153 50 0 JIAAMO CCC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)CC1CC1 ZINC000245281303 570062333 /nfs/dbraw/zinc/06/23/33/570062333.db2.gz XDSBKHXICBHPKC-IFMALSPDSA-N 1 1 472.651 4.135 50 0 JIAAMO COC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245326190 570064770 /nfs/dbraw/zinc/06/47/70/570064770.db2.gz FHHWNGOJEJTRGU-ISKFKSNPSA-N 1 1 488.694 4.225 50 0 JIAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1cccc(OC)c1 ZINC000245328351 570065666 /nfs/dbraw/zinc/06/56/66/570065666.db2.gz NWQJAMHPFZQESU-GMAHTHKFSA-N 1 1 460.565 4.320 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000245328364 570065750 /nfs/dbraw/zinc/06/57/50/570065750.db2.gz OAZQUOIMVVTVEA-FQRUVTKNSA-N 1 1 465.663 4.335 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000245328364 570065752 /nfs/dbraw/zinc/06/57/52/570065752.db2.gz OAZQUOIMVVTVEA-FQRUVTKNSA-N 1 1 465.663 4.335 50 0 JIAAMO CCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247978880 570072005 /nfs/dbraw/zinc/07/20/05/570072005.db2.gz JBUPGLULESZTOH-QGZVFWFLSA-N 1 1 455.400 4.478 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000247999501 570072471 /nfs/dbraw/zinc/07/24/71/570072471.db2.gz FCFRNKZVMGFGJH-ILBGXUMGSA-N 1 1 465.594 4.351 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000247999501 570072473 /nfs/dbraw/zinc/07/24/73/570072473.db2.gz FCFRNKZVMGFGJH-ILBGXUMGSA-N 1 1 465.594 4.351 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000248014144 570072842 /nfs/dbraw/zinc/07/28/42/570072842.db2.gz KBPMFSWVNOWDOG-AOYPEHQESA-N 1 1 460.574 4.439 50 0 JIAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1 ZINC000248075688 570073583 /nfs/dbraw/zinc/07/35/83/570073583.db2.gz HEFSDOLFADKEFO-RPLLCQBOSA-N 1 1 467.654 4.393 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)nc2ccccc21 ZINC000249691515 570078519 /nfs/dbraw/zinc/07/85/19/570078519.db2.gz LKSMQAULEYXWOW-LJQANCHMSA-N 1 1 484.019 4.410 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000253387394 570095370 /nfs/dbraw/zinc/09/53/70/570095370.db2.gz LYXSFLCWFCQCPE-PEJASQCSSA-N 1 1 481.662 4.110 50 0 JIAAMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@@H+]4C[C@@H](C)CC[C@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000253388623 570095506 /nfs/dbraw/zinc/09/55/06/570095506.db2.gz LCJGVSFMDQXVDC-NOFMRZONSA-N 1 1 471.682 4.457 50 0 JIAAMO CC(=O)N1CCCN(c2nc(C[N@H+](Cc3ccccc3)CC3CC3)nc3c(C)cccc32)CC1 ZINC000299778630 570176394 /nfs/dbraw/zinc/17/63/94/570176394.db2.gz KFHKKSHKJIHVNJ-UHFFFAOYSA-N 1 1 457.622 4.409 50 0 JIAAMO Cc1nnc(Sc2cc(C(=O)NCC[N@H+](C)CCc3ccccc3)c3ccccc3n2)s1 ZINC000003037068 194214324 /nfs/dbraw/zinc/21/43/24/194214324.db2.gz YWHGJDXDEUTGDW-UHFFFAOYSA-N 1 1 463.632 4.450 50 0 JIAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000003459455 194330484 /nfs/dbraw/zinc/33/04/84/194330484.db2.gz FDBYKYHXPCFCSD-QHCPKHFHSA-N 1 1 497.617 4.070 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)[NH+](C)C ZINC000012604921 195050133 /nfs/dbraw/zinc/05/01/33/195050133.db2.gz PWIQHOWNXFJSSM-HSZRJFAPSA-N 1 1 481.618 4.146 50 0 JIAAMO C[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000012598880 195044269 /nfs/dbraw/zinc/04/42/69/195044269.db2.gz DDEVCDRFHOKTFL-IBVKSMDESA-N 1 1 478.662 4.054 50 0 JIAAMO Cc1ccc(S(=O)(=O)n2cc(CCC[N@H+]3CCn4cccc4[C@@H]3C)c(C(F)(F)F)n2)cc1 ZINC000012775360 195120433 /nfs/dbraw/zinc/12/04/33/195120433.db2.gz FKYLURSBFCXXSB-KRWDZBQOSA-N 1 1 466.529 4.258 50 0 JIAAMO Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2Cc2ccco2)c1 ZINC000012807471 195142480 /nfs/dbraw/zinc/14/24/80/195142480.db2.gz TVELDTOHSAMACG-QHCPKHFHSA-N 1 1 487.629 4.378 50 0 JIAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000012875327 195165714 /nfs/dbraw/zinc/16/57/14/195165714.db2.gz KGQOVXVHVBIBNG-UHFFFAOYSA-N 1 1 456.743 4.449 50 0 JIAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000012875327 195165717 /nfs/dbraw/zinc/16/57/17/195165717.db2.gz KGQOVXVHVBIBNG-UHFFFAOYSA-N 1 1 456.743 4.449 50 0 JIAAMO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000012888986 195171880 /nfs/dbraw/zinc/17/18/80/195171880.db2.gz AVVZIPRYGLTZPO-NRFANRHFSA-N 1 1 491.426 4.123 50 0 JIAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728951 195209308 /nfs/dbraw/zinc/20/93/08/195209308.db2.gz MCPIWAQMCYFFMV-LHLOQNFPSA-N 1 1 484.625 4.324 50 0 JIAAMO Cc1oc2c(cc3c(C)c(CCC(=O)N4CC[NH+](CCc5ccccn5)CC4)c(=O)oc3c2C)c1C ZINC000020759964 195217394 /nfs/dbraw/zinc/21/73/94/195217394.db2.gz FPUGOMGJDCQEIA-UHFFFAOYSA-N 1 1 487.600 4.487 50 0 biogenic JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000020763490 195219725 /nfs/dbraw/zinc/21/97/25/195219725.db2.gz ZMTUTKPHJNFEOD-GHTZIAJQSA-N 1 1 452.426 4.226 50 0 biogenic JIAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000020774197 195223668 /nfs/dbraw/zinc/22/36/68/195223668.db2.gz NOFAUJXIRLFFQV-UHFFFAOYSA-N 1 1 499.537 4.017 50 0 JIAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000020935943 195252872 /nfs/dbraw/zinc/25/28/72/195252872.db2.gz VDQPLKPSZIDRQO-HSZRJFAPSA-N 1 1 473.639 4.190 50 0 JIAAMO CC(=O)Nc1ccc2c(CN3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)cc(=O)oc2c1 ZINC000057713418 195358155 /nfs/dbraw/zinc/35/81/55/195358155.db2.gz JBSPNHRROUNCPC-UHFFFAOYSA-N 1 1 459.468 4.088 50 0 JIAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCc2cccc(F)c2)C1 ZINC000014746061 519732405 /nfs/dbraw/zinc/73/24/05/519732405.db2.gz FMUBUDAOLXNLJL-XZOQPEGZSA-N 1 1 451.586 4.163 50 0 JIAAMO CCC[NH+]1CCN(C(=O)c2oc3c(c2C)-c2nn(Cc4ccccc4Cl)cc2CC3)CC1 ZINC000020490250 519857408 /nfs/dbraw/zinc/85/74/08/519857408.db2.gz JTJIYKWFDDXIGT-UHFFFAOYSA-N 1 1 452.986 4.420 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000033277318 519868736 /nfs/dbraw/zinc/86/87/36/519868736.db2.gz HJQJSORQGOWOOM-UHFFFAOYSA-N 1 1 450.970 4.217 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000033277318 519868737 /nfs/dbraw/zinc/86/87/37/519868737.db2.gz HJQJSORQGOWOOM-UHFFFAOYSA-N 1 1 450.970 4.217 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl ZINC000036304984 520152493 /nfs/dbraw/zinc/15/24/93/520152493.db2.gz HXGRBVIXUPCVIU-HXUWFJFHSA-N 1 1 474.001 4.379 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COCC(C)C ZINC000036309382 520318878 /nfs/dbraw/zinc/31/88/78/520318878.db2.gz MNLCDKAECTVZEK-VWNXMTODSA-N 1 1 488.694 4.225 50 0 JIAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000033331930 520475474 /nfs/dbraw/zinc/47/54/74/520475474.db2.gz AKISFTBPHGVHDM-XYVRPBRGSA-N 1 1 456.631 4.266 50 0 JIAAMO CCOc1c(C)cc(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1C ZINC000064977927 520592957 /nfs/dbraw/zinc/59/29/57/520592957.db2.gz IEAJEWCTJZUAMI-UHFFFAOYSA-N 1 1 481.622 4.055 50 0 JIAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)/C=C/c1ccc(OCc2csc(C)n2)cc1 ZINC000048343346 520673749 /nfs/dbraw/zinc/67/37/49/520673749.db2.gz BXSIMFAFTDQNNK-YYVWFHOOSA-N 1 1 485.650 4.310 50 0 JIAAMO CCC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)CC(C)C ZINC000036309370 520797007 /nfs/dbraw/zinc/79/70/07/520797007.db2.gz JHQVMWAYPBUIIJ-YKSBVNFPSA-N 1 1 474.667 4.381 50 0 JIAAMO CCOC(=O)c1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)CCC3)cc1 ZINC000016193135 521513117 /nfs/dbraw/zinc/51/31/17/521513117.db2.gz WGTRTMBIUFQCHN-UHFFFAOYSA-N 1 1 469.607 4.480 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036309140 521534427 /nfs/dbraw/zinc/53/44/27/521534427.db2.gz SUSOTSAFUJUOSS-QPPBQGQZSA-N 1 1 474.667 4.059 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)[C@@H](C)C(C)(C)O ZINC000036310269 521539716 /nfs/dbraw/zinc/53/97/16/521539716.db2.gz PEBXMNDORWCQKU-AZUAARDMSA-N 1 1 460.640 4.133 50 0 JIAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697778 522061137 /nfs/dbraw/zinc/06/11/37/522061137.db2.gz WYQDXLFAQWYMAL-AREMUKBSSA-N 1 1 497.636 4.281 50 0 JIAAMO CC[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000012327680 522687216 /nfs/dbraw/zinc/68/72/16/522687216.db2.gz LUEWFYDJRLPDKW-GHTZIAJQSA-N 1 1 458.400 4.367 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)C1CCCCC1 ZINC000033131375 522765404 /nfs/dbraw/zinc/76/54/04/522765404.db2.gz LMOPIEUUPSAFBN-UHFFFAOYSA-N 1 1 470.079 4.289 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036302435 523738078 /nfs/dbraw/zinc/73/80/78/523738078.db2.gz IWXUMIMMLSNRQK-DEOSSOPVSA-N 1 1 497.636 4.464 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036302435 523738087 /nfs/dbraw/zinc/73/80/87/523738087.db2.gz IWXUMIMMLSNRQK-DEOSSOPVSA-N 1 1 497.636 4.464 50 0 JIAAMO CN1CC[NH+](CCCNC(=O)c2ccc(Oc3nccnc3Sc3ccc(Cl)cc3)cc2)CC1 ZINC000033139906 523899441 /nfs/dbraw/zinc/89/94/41/523899441.db2.gz QVEDZZWHHUEUSA-UHFFFAOYSA-N 1 1 498.052 4.441 50 0 JIAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC ZINC000036306182 523941190 /nfs/dbraw/zinc/94/11/90/523941190.db2.gz NECKLZRDSAEBIE-FPOVZHCZSA-N 1 1 453.583 4.496 50 0 JIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC(C)C)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000014750596 524042175 /nfs/dbraw/zinc/04/21/75/524042175.db2.gz SSFKWMOIBQOFIO-WIOPSUGQSA-N 1 1 480.649 4.482 50 0 JIAAMO COc1ccc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)s2)c(OC)c1OC ZINC000014970646 524106274 /nfs/dbraw/zinc/10/62/74/524106274.db2.gz FKRNANDFBPIAPC-QGZVFWFLSA-N 1 1 471.627 4.295 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[N@@H+]2CC[C@H](c4ccccc4)C2)C3=O)cc1 ZINC000012420828 524389500 /nfs/dbraw/zinc/38/95/00/524389500.db2.gz DYZWNUHQTLDFJS-RBTNQOKQSA-N 1 1 485.609 4.422 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[N@H+]2CC[C@H](c4ccccc4)C2)C3=O)cc1 ZINC000012420828 524389512 /nfs/dbraw/zinc/38/95/12/524389512.db2.gz DYZWNUHQTLDFJS-RBTNQOKQSA-N 1 1 485.609 4.422 50 0 JIAAMO COc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456358 524605071 /nfs/dbraw/zinc/60/50/71/524605071.db2.gz WNPCJTJECJBLEL-UHFFFAOYSA-N 1 1 494.595 4.424 50 0 JIAAMO COc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456358 524605079 /nfs/dbraw/zinc/60/50/79/524605079.db2.gz WNPCJTJECJBLEL-UHFFFAOYSA-N 1 1 494.595 4.424 50 0 JIAAMO COc1ccccc1Oc1c(C[N@H+](C[C@@H](C)O)C[C@@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000036302241 524695056 /nfs/dbraw/zinc/69/50/56/524695056.db2.gz HCRMTLFSRKKSKQ-KNQAVFIVSA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](C)O)C[C@@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000036302241 524695068 /nfs/dbraw/zinc/69/50/68/524695068.db2.gz HCRMTLFSRKKSKQ-KNQAVFIVSA-N 1 1 451.567 4.343 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COCC(C)C)C2CC2)c1 ZINC000036309476 524766078 /nfs/dbraw/zinc/76/60/78/524766078.db2.gz IQXRCXMWGRDDHO-DHLKQENFSA-N 1 1 486.678 4.059 50 0 JIAAMO COc1ccc(S(=O)(=O)NC[C@@H](C)Oc2cccc(C[N@@H+](C)Cc3ccsc3)c2)cc1OC ZINC000012198436 525059214 /nfs/dbraw/zinc/05/92/14/525059214.db2.gz RRTOFKGUZFGHMG-GOSISDBHSA-N 1 1 490.647 4.143 50 0 JIAAMO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)cc1Cl ZINC000020467740 525078679 /nfs/dbraw/zinc/07/86/79/525078679.db2.gz CFWKFHBVSJUUTK-UHFFFAOYSA-N 1 1 454.983 4.433 50 0 JIAAMO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)cc1Cl ZINC000020467740 525078690 /nfs/dbraw/zinc/07/86/90/525078690.db2.gz CFWKFHBVSJUUTK-UHFFFAOYSA-N 1 1 454.983 4.433 50 0 JIAAMO Cc1c(C(=O)N2CCC([N@H+]3CCC[C@H](O)C3)CC2)sc2ncnc(NCCCc3ccccc3)c12 ZINC000014986799 525571444 /nfs/dbraw/zinc/57/14/44/525571444.db2.gz FLZNFFGZZJVVCA-QFIPXVFZSA-N 1 1 493.677 4.106 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]2CC(c3ccccc3F)=NO2)c1 ZINC000036147058 525924565 /nfs/dbraw/zinc/92/45/65/525924565.db2.gz VPLMZDWUGMYPLQ-REWPJTCUSA-N 1 1 468.525 4.000 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cccc(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000021810417 525954879 /nfs/dbraw/zinc/95/48/79/525954879.db2.gz VGDXNEPYBACYMS-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000021810417 525954885 /nfs/dbraw/zinc/95/48/85/525954885.db2.gz VGDXNEPYBACYMS-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO Cc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)C3)[nH]c2c1 ZINC000033072214 526252264 /nfs/dbraw/zinc/25/22/64/526252264.db2.gz UOSMIPKPVQZDKF-XMMPIXPASA-N 1 1 488.680 4.033 50 0 JIAAMO O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)c(F)c4)CC3)ccc2o1 ZINC000011964225 526601291 /nfs/dbraw/zinc/60/12/91/526601291.db2.gz JACDKAYGBXAKFI-HXUWFJFHSA-N 1 1 470.516 4.103 50 0 JIAAMO O=C(c1ccc(N2CCC([NH2+]Cc3nc(-c4ccccc4)n[nH]3)CC2)cc1)N1CCc2ccccc2C1 ZINC000012509883 526698033 /nfs/dbraw/zinc/69/80/33/526698033.db2.gz JDVYHUWDSWNFDH-UHFFFAOYSA-N 1 1 492.627 4.429 50 0 JIAAMO O=C(NCc1ccccc1Cl)c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O ZINC000014954217 526748659 /nfs/dbraw/zinc/74/86/59/526748659.db2.gz FYUBRRBFEHFMTI-UHFFFAOYSA-N 1 1 451.929 4.387 50 0 JIAAMO O=C(CN1Cc2ccccc2O[C@H](c2ccsc2)C1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000012217865 526823406 /nfs/dbraw/zinc/82/34/06/526823406.db2.gz PEWNWPPEOSPTFQ-NDEPHWFRSA-N 1 1 487.669 4.386 50 0 JIAAMO O=C(c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000004124198 526891854 /nfs/dbraw/zinc/89/18/54/526891854.db2.gz KYJVEVYPMJPTRN-HNNXBMFYSA-N 1 1 494.315 4.098 50 0 JIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)Nc1cccc(C(F)(F)F)c1 ZINC000033028767 527056109 /nfs/dbraw/zinc/05/61/09/527056109.db2.gz ACVYHKMIDJBYIA-UHFFFAOYSA-N 1 1 474.508 4.490 50 0 JIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)Nc1cccc(C(F)(F)F)c1 ZINC000033028767 527056116 /nfs/dbraw/zinc/05/61/16/527056116.db2.gz ACVYHKMIDJBYIA-UHFFFAOYSA-N 1 1 474.508 4.490 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014733377 527272822 /nfs/dbraw/zinc/27/28/22/527272822.db2.gz LQADJLSXNJUDIQ-RRPNLBNLSA-N 1 1 497.639 4.317 50 0 JIAAMO COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CC[N@H+]3CCC[C@H]3C1)c1ccccc1S2 ZINC000000983745 553892463 /nfs/dbraw/zinc/89/24/63/553892463.db2.gz PHIBDVLPQXJYJA-SFHVURJKSA-N 1 1 452.580 4.164 50 0 JIAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002309356 554143125 /nfs/dbraw/zinc/14/31/25/554143125.db2.gz GOGSUHRXIFKMSW-CYBMUJFWSA-N 1 1 456.340 4.102 50 0 JIAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002309356 554143128 /nfs/dbraw/zinc/14/31/28/554143128.db2.gz GOGSUHRXIFKMSW-CYBMUJFWSA-N 1 1 456.340 4.102 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002432807 554205836 /nfs/dbraw/zinc/20/58/36/554205836.db2.gz UUOSSWBURFOJPQ-YDLHNXBPSA-N 1 1 470.356 4.041 50 0 JIAAMO CCOc1ccc2nc(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)sc2c1 ZINC000009068222 554885947 /nfs/dbraw/zinc/88/59/47/554885947.db2.gz OOTHYUHJCJTDAF-UHFFFAOYSA-N 1 1 456.543 4.123 50 0 JIAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCc3ccc(C[N@H+]4CCCC[C@@H]4CC)o3)c(=O)c21 ZINC000009153458 554943206 /nfs/dbraw/zinc/94/32/06/554943206.db2.gz JCRYRVWRWYOKKR-FQEVSTJZSA-N 1 1 489.620 4.435 50 0 JIAAMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC000009199728 554971276 /nfs/dbraw/zinc/97/12/76/554971276.db2.gz XNIKDDVETGAWDV-UHFFFAOYSA-N 1 1 496.633 4.018 50 0 JIAAMO CCc1oc2ccccc2c1C[N@H+](C)Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC000009199728 554971278 /nfs/dbraw/zinc/97/12/78/554971278.db2.gz XNIKDDVETGAWDV-UHFFFAOYSA-N 1 1 496.633 4.018 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC(CCc4cc(OC)cc(OC)c4)CC3)cc2)CC1 ZINC000009314386 555089704 /nfs/dbraw/zinc/08/97/04/555089704.db2.gz ZIBIXSDVCFMIEO-UHFFFAOYSA-N 1 1 494.680 4.129 50 0 JIAAMO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)cc1OC ZINC000009361387 555123928 /nfs/dbraw/zinc/12/39/28/555123928.db2.gz SWMIMTLHAASJIS-VWLOTQADSA-N 1 1 479.665 4.081 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000013139006 555336215 /nfs/dbraw/zinc/33/62/15/555336215.db2.gz GUUPDMWWFXFUDR-ZCYQVOJMSA-N 1 1 467.569 4.359 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009634334 555339477 /nfs/dbraw/zinc/33/94/77/555339477.db2.gz FXBOTGJZPGRWHN-AZSVPQILSA-N 1 1 479.621 4.097 50 0 JIAAMO CC(C)[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1ccccc1 ZINC000009647944 555361950 /nfs/dbraw/zinc/36/19/50/555361950.db2.gz FRILPQWVXHJTLK-UHFFFAOYSA-N 1 1 464.031 4.364 50 0 JIAAMO C[NH+]1CCN(c2ccccc2C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000009776973 555495291 /nfs/dbraw/zinc/49/52/91/555495291.db2.gz WMFPPLDCUNDZDZ-SXOMAYOGSA-N 1 1 451.570 4.158 50 0 JIAAMO Cc1c(-c2ccccc2)sc(NC(=O)C[N@H+](C)C2CCCCC2)c1C(=O)N1CCOCC1 ZINC000009833518 555536333 /nfs/dbraw/zinc/53/63/33/555536333.db2.gz XSRLOPZAUSVNJL-UHFFFAOYSA-N 1 1 455.624 4.399 50 0 JIAAMO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000009849543 555551476 /nfs/dbraw/zinc/55/14/76/555551476.db2.gz QZQKFFAOWOOIML-UHFFFAOYSA-N 1 1 486.454 4.409 50 0 JIAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109064 555644553 /nfs/dbraw/zinc/64/45/53/555644553.db2.gz IWMHQIZAKPNQKC-KAYWLYCHSA-N 1 1 487.575 4.089 50 0 JIAAMO CC(C)Cn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O ZINC000020138781 555662048 /nfs/dbraw/zinc/66/20/48/555662048.db2.gz WGOATRYOSXCBHE-UHFFFAOYSA-N 1 1 456.590 4.107 50 0 JIAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cnc(N5CCOCC5)s4)C3)ccc2c1 ZINC000020210229 555702717 /nfs/dbraw/zinc/70/27/17/555702717.db2.gz YMLRYCBUUBFLGL-NRFANRHFSA-N 1 1 451.592 4.236 50 0 JIAAMO CCc1cc([C@H](c2cccc(F)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218745 555712473 /nfs/dbraw/zinc/71/24/73/555712473.db2.gz ZMPMBLFBCHYUHG-DEOSSOPVSA-N 1 1 467.610 4.401 50 0 JIAAMO O=C1CC[C@H](N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)CCN1Cc1ccccc1Cl ZINC000020235242 555727444 /nfs/dbraw/zinc/72/74/44/555727444.db2.gz MDKYWBZZNZXBGM-DQEYMECFSA-N 1 1 452.042 4.396 50 0 JIAAMO Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020282501 555752554 /nfs/dbraw/zinc/75/25/54/555752554.db2.gz BKHAGGZMPGYXDA-UHFFFAOYSA-N 1 1 453.590 4.290 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2oc3ccc4c(c3c2C)[C@@H](O)CC2(CCCCC2)O4)CC1 ZINC000020560087 555810691 /nfs/dbraw/zinc/81/06/91/555810691.db2.gz SPFPZSYPTNHCJA-FQEVSTJZSA-N 1 1 469.626 4.017 50 0 biogenic JIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)C1 ZINC000014528867 555816496 /nfs/dbraw/zinc/81/64/96/555816496.db2.gz MMWHRLMHDSCURD-IRXDYDNUSA-N 1 1 458.603 4.251 50 0 JIAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000014536097 555825432 /nfs/dbraw/zinc/82/54/32/555825432.db2.gz RBDKWJYUCADKTE-XMMPIXPASA-N 1 1 477.697 4.030 50 0 JIAAMO NC(=O)c1c2c(sc1NC(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCC2 ZINC000020591272 555838317 /nfs/dbraw/zinc/83/83/17/555838317.db2.gz NPNBVBWXJDTZKS-UHFFFAOYSA-N 1 1 460.603 4.275 50 0 JIAAMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cnn(-c4nccc(-c5cc6ccccc6o5)n4)c3C3CC3)C2)C1 ZINC000011997659 555879635 /nfs/dbraw/zinc/87/96/35/555879635.db2.gz GTLOPFQZOJZAOJ-MHZLTWQESA-N 1 1 468.561 4.121 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097616 555905112 /nfs/dbraw/zinc/90/51/12/555905112.db2.gz IJKVSTZYHQNDKU-RUZDIDTESA-N 1 1 492.664 4.120 50 0 JIAAMO COc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)Cc2nonc2C)cc1C ZINC000012128055 555910580 /nfs/dbraw/zinc/91/05/80/555910580.db2.gz JKOLQROKOCINEE-GGAORHGYSA-N 1 1 484.597 4.228 50 0 JIAAMO COc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)Cc2nonc2C)cc1C ZINC000012128055 555910583 /nfs/dbraw/zinc/91/05/83/555910583.db2.gz JKOLQROKOCINEE-GGAORHGYSA-N 1 1 484.597 4.228 50 0 JIAAMO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)c1ccccc1n3CC)CC2 ZINC000012163068 555931649 /nfs/dbraw/zinc/93/16/49/555931649.db2.gz PTWBQEAAAFVJRF-LJQANCHMSA-N 1 1 458.610 4.127 50 0 JIAAMO Cc1ccc(Nc2nn(CN3CCC[N@H+](CC(=O)NC(C)(C)C)CC3)c(=S)s2)cc1Cl ZINC000022912092 555967623 /nfs/dbraw/zinc/96/76/23/555967623.db2.gz GUCVWIWCGNFCBD-UHFFFAOYSA-N 1 1 483.107 4.259 50 0 JIAAMO Cc1ccc(Nc2nn(CN3CCC[N@@H+](CC(=O)NC(C)(C)C)CC3)c(=S)s2)cc1Cl ZINC000022912092 555967626 /nfs/dbraw/zinc/96/76/26/555967626.db2.gz GUCVWIWCGNFCBD-UHFFFAOYSA-N 1 1 483.107 4.259 50 0 JIAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938426 555991769 /nfs/dbraw/zinc/99/17/69/555991769.db2.gz JWMSBKMDMZYZDR-GOSISDBHSA-N 1 1 460.372 4.124 50 0 JIAAMO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c2)cc1 ZINC000012521132 555992241 /nfs/dbraw/zinc/99/22/41/555992241.db2.gz IEKFEWMZTYVFGC-QHCPKHFHSA-N 1 1 483.590 4.046 50 0 JIAAMO Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CC[NH+](Cc4ccccc4)CC2)C3=O)cc1 ZINC000022942847 555993096 /nfs/dbraw/zinc/99/30/96/555993096.db2.gz BRGJFNHDGRUTGF-LJAQVGFWSA-N 1 1 498.652 4.050 50 0 JIAAMO Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3)n2)o1 ZINC000023334768 556044036 /nfs/dbraw/zinc/04/40/36/556044036.db2.gz CGVZQUTUEWSVLI-GOSISDBHSA-N 1 1 450.587 4.348 50 0 JIAAMO Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3)n2)o1 ZINC000023334767 556044106 /nfs/dbraw/zinc/04/41/06/556044106.db2.gz CGVZQUTUEWSVLI-SFHVURJKSA-N 1 1 450.587 4.348 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(OC)c(OC)c2)N3)C1 ZINC000015947250 556084766 /nfs/dbraw/zinc/08/47/66/556084766.db2.gz ZIYVCIJBLAQOCV-KRWDZBQOSA-N 1 1 452.374 4.335 50 0 JIAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)cc1 ZINC000012736308 556105743 /nfs/dbraw/zinc/10/57/43/556105743.db2.gz KVEWIBLMRYNNHH-UHFFFAOYSA-N 1 1 463.603 4.144 50 0 JIAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012915219 556134293 /nfs/dbraw/zinc/13/42/93/556134293.db2.gz LXSKLHDZRYSAGU-HSZRJFAPSA-N 1 1 476.042 4.082 50 0 JIAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Br)cc1 ZINC000012916260 556135560 /nfs/dbraw/zinc/13/55/60/556135560.db2.gz DMJLUUFDVCEIQO-UHFFFAOYSA-N 1 1 457.294 4.014 50 0 JIAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Br)cc1 ZINC000012916260 556135562 /nfs/dbraw/zinc/13/55/62/556135562.db2.gz DMJLUUFDVCEIQO-UHFFFAOYSA-N 1 1 457.294 4.014 50 0 JIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 ZINC000012919262 556138511 /nfs/dbraw/zinc/13/85/11/556138511.db2.gz GMRWIKSFMHSIAI-DEOSSOPVSA-N 1 1 473.639 4.118 50 0 JIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 ZINC000012919262 556138514 /nfs/dbraw/zinc/13/85/14/556138514.db2.gz GMRWIKSFMHSIAI-DEOSSOPVSA-N 1 1 473.639 4.118 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024978867 556167433 /nfs/dbraw/zinc/16/74/33/556167433.db2.gz PUSVDZZAXIDDLH-IBGZPJMESA-N 1 1 478.618 4.069 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024978867 556167435 /nfs/dbraw/zinc/16/74/35/556167435.db2.gz PUSVDZZAXIDDLH-IBGZPJMESA-N 1 1 478.618 4.069 50 0 JIAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)c(C)c1 ZINC000012978491 556170890 /nfs/dbraw/zinc/17/08/90/556170890.db2.gz ZMTKZSBECYJDTE-UHFFFAOYSA-N 1 1 450.352 4.413 50 0 JIAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)c(C)c1 ZINC000012978491 556170892 /nfs/dbraw/zinc/17/08/92/556170892.db2.gz ZMTKZSBECYJDTE-UHFFFAOYSA-N 1 1 450.352 4.413 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000013016336 556208065 /nfs/dbraw/zinc/20/80/65/556208065.db2.gz SCPQQFROHYRDEE-BETUJISGSA-N 1 1 455.411 4.296 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000013016336 556208067 /nfs/dbraw/zinc/20/80/67/556208067.db2.gz SCPQQFROHYRDEE-BETUJISGSA-N 1 1 455.411 4.296 50 0 JIAAMO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000017208557 556241450 /nfs/dbraw/zinc/24/14/50/556241450.db2.gz LWJHGSOOVDAYQY-UHFFFAOYSA-N 1 1 475.618 4.124 50 0 JIAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(COc3ccccc3Cl)n2C)CC1 ZINC000026460467 556254383 /nfs/dbraw/zinc/25/43/83/556254383.db2.gz AXPSTKVPTNODRS-SFHVURJKSA-N 1 1 486.041 4.045 50 0 JIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000018008429 556275769 /nfs/dbraw/zinc/27/57/69/556275769.db2.gz VQMULORKOFPAAS-QFIPXVFZSA-N 1 1 471.554 4.177 50 0 JIAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000027365255 556277163 /nfs/dbraw/zinc/27/71/63/556277163.db2.gz AZVZJMMPBCCRIU-QGZVFWFLSA-N 1 1 458.591 4.281 50 0 JIAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000027365255 556277167 /nfs/dbraw/zinc/27/71/67/556277167.db2.gz AZVZJMMPBCCRIU-QGZVFWFLSA-N 1 1 458.591 4.281 50 0 JIAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[NH+]4CCC(C(=O)N(C)C)CC4)cc3)sc2c1 ZINC000013096827 556291841 /nfs/dbraw/zinc/29/18/41/556291841.db2.gz YTFYYNLUTFVJSS-KRWDZBQOSA-N 1 1 450.608 4.399 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000029156056 556348017 /nfs/dbraw/zinc/34/80/17/556348017.db2.gz DXNUCWMGAMRILS-NFBKMPQASA-N 1 1 453.539 4.077 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000029156056 556348023 /nfs/dbraw/zinc/34/80/23/556348023.db2.gz DXNUCWMGAMRILS-NFBKMPQASA-N 1 1 453.539 4.077 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000029692209 556355071 /nfs/dbraw/zinc/35/50/71/556355071.db2.gz XTOBYEYMSXNORT-DVECYGJZSA-N 1 1 462.512 4.452 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000029692209 556355073 /nfs/dbraw/zinc/35/50/73/556355073.db2.gz XTOBYEYMSXNORT-DVECYGJZSA-N 1 1 462.512 4.452 50 0 JIAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000019741279 556364506 /nfs/dbraw/zinc/36/45/06/556364506.db2.gz IGBTXUOQRFSGSN-NRFANRHFSA-N 1 1 455.990 4.473 50 0 JIAAMO O=C(Cn1ncc2ccccc2c1=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000032001042 556412490 /nfs/dbraw/zinc/41/24/90/556412490.db2.gz PRIDMQCXAILFSL-UHFFFAOYSA-N 1 1 479.005 4.123 50 0 JIAAMO CCn1c2ccc(C(=O)Nc3ccc(C[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc2nc(C)c1=O ZINC000032913571 556538079 /nfs/dbraw/zinc/53/80/79/556538079.db2.gz BMZLHNAGZQFURE-UHFFFAOYSA-N 1 1 495.627 4.295 50 0 JIAAMO O=C(c1ccccn1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055036862 569590444 /nfs/dbraw/zinc/59/04/44/569590444.db2.gz AQKNKDPDKJXNIW-DEOSSOPVSA-N 1 1 488.607 4.474 50 0 JIAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3cccs3)C4=O)CC2)c1 ZINC000055357748 569591676 /nfs/dbraw/zinc/59/16/76/569591676.db2.gz CRYOLWOCJZMAQM-GOSISDBHSA-N 1 1 461.587 4.436 50 0 JIAAMO CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)[C@H](c2cccnc2)[NH+]2CCCC2)CC3)cc1 ZINC000055576319 569592291 /nfs/dbraw/zinc/59/22/91/569592291.db2.gz PQRBUIOZBVLYPK-PKTZIBPZSA-N 1 1 464.635 4.208 50 0 JIAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccccn1)CCCC2 ZINC000057311665 569596295 /nfs/dbraw/zinc/59/62/95/569596295.db2.gz PWOFHKQXGPEERN-UHFFFAOYSA-N 1 1 450.564 4.011 50 0 JIAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415482 569600816 /nfs/dbraw/zinc/60/08/16/569600816.db2.gz NARYDIAMBTVUAV-AREMUKBSSA-N 1 1 477.605 4.211 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415482 569600818 /nfs/dbraw/zinc/60/08/18/569600818.db2.gz NARYDIAMBTVUAV-AREMUKBSSA-N 1 1 477.605 4.211 50 0 JIAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cccc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000061999443 569609960 /nfs/dbraw/zinc/60/99/60/569609960.db2.gz NEJVAUTZVCUWDT-SFYJVUIZSA-N 1 1 493.563 4.018 50 0 biogenic JIAAMO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@@H+]4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064704139 569624712 /nfs/dbraw/zinc/62/47/12/569624712.db2.gz ZHUBADPNEHLKTL-IBGZPJMESA-N 1 1 497.713 4.403 50 0 JIAAMO CCn1c2c(C(=O)NCc3ccc(C(C)C)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835994 569636668 /nfs/dbraw/zinc/63/66/68/569636668.db2.gz DOROMUTWTIVKJV-UHFFFAOYSA-N 1 1 483.616 4.128 50 0 JIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccn3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681621 569643356 /nfs/dbraw/zinc/64/33/56/569643356.db2.gz YAYXNIQWIHRWOL-UHFFFAOYSA-N 1 1 455.484 4.460 50 0 JIAAMO COc1cc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc(OC)c1 ZINC000034681901 569643525 /nfs/dbraw/zinc/64/35/25/569643525.db2.gz DXPFCJCAUWJVCA-UHFFFAOYSA-N 1 1 482.531 4.342 50 0 JIAAMO COc1cccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c1 ZINC000034681713 569643600 /nfs/dbraw/zinc/64/36/00/569643600.db2.gz QSLZGMFVRXYKQI-UHFFFAOYSA-N 1 1 480.996 4.473 50 0 JIAAMO COc1cccc(N(C2CC[NH+](Cc3ccncc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034683871 569644646 /nfs/dbraw/zinc/64/46/46/569644646.db2.gz JEWUOPHDOOPHIT-UHFFFAOYSA-N 1 1 451.592 4.259 50 0 JIAAMO Cc1cccc(-c2cnc(N3CCC(C(=O)NCCC[N@H+](C)Cc4ccccc4)CC3)nc2)c1 ZINC000065023801 569649957 /nfs/dbraw/zinc/64/99/57/569649957.db2.gz WAGYUHOYZWWMIT-UHFFFAOYSA-N 1 1 457.622 4.307 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034787706 569659645 /nfs/dbraw/zinc/65/96/45/569659645.db2.gz OPJFZDXEUSCQSE-HHHXNRCGSA-N 1 1 473.642 4.297 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034787706 569659646 /nfs/dbraw/zinc/65/96/46/569659646.db2.gz OPJFZDXEUSCQSE-HHHXNRCGSA-N 1 1 473.642 4.297 50 0 JIAAMO CCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000034919580 569672145 /nfs/dbraw/zinc/67/21/45/569672145.db2.gz BVFHVDOWGSVINA-XMMPIXPASA-N 1 1 498.693 4.313 50 0 JIAAMO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)nn2)cc1 ZINC000035398116 569688847 /nfs/dbraw/zinc/68/88/47/569688847.db2.gz NYFWWLFKZAJJKJ-VWLOTQADSA-N 1 1 457.622 4.307 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5cc(C)ccc5C)CC4)CC3)cn2)cc1 ZINC000035403807 569691356 /nfs/dbraw/zinc/69/13/56/569691356.db2.gz LBKPKYWEUOIPRP-UHFFFAOYSA-N 1 1 469.633 4.235 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5cc(C)ccc5C)CC4)CC3)cn2)cc1 ZINC000035403807 569691357 /nfs/dbraw/zinc/69/13/57/569691357.db2.gz LBKPKYWEUOIPRP-UHFFFAOYSA-N 1 1 469.633 4.235 50 0 JIAAMO COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)c(OC)c1 ZINC000085878754 569716213 /nfs/dbraw/zinc/71/62/13/569716213.db2.gz SHHXVPUYTPTORY-CMIONIEMSA-N 1 1 477.605 4.350 50 0 biogenic JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000035871766 569718946 /nfs/dbraw/zinc/71/89/46/569718946.db2.gz SKNLHKRSODLHIS-IXCJQBJRSA-N 1 1 473.592 4.056 50 0 JIAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888842 569721399 /nfs/dbraw/zinc/72/13/99/569721399.db2.gz UIJOYNSRXUORPS-QHCPKHFHSA-N 1 1 479.621 4.108 50 0 JIAAMO C[NH2+][C@@H](c1nnnn1[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)C)c1ccccc1 ZINC000096602277 569742463 /nfs/dbraw/zinc/74/24/63/569742463.db2.gz JLBCMYPLTXAQDT-RZUBCFFCSA-N 1 1 466.977 4.092 50 0 JIAAMO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036250337 569758300 /nfs/dbraw/zinc/75/83/00/569758300.db2.gz PFEHJOSZUCNGQX-PGRDOPGGSA-N 1 1 465.560 4.423 50 0 JIAAMO COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000036313011 569760598 /nfs/dbraw/zinc/76/05/98/569760598.db2.gz CRONNNNQWMAHRO-QFIPXVFZSA-N 1 1 479.577 4.070 50 0 JIAAMO COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000036313011 569760599 /nfs/dbraw/zinc/76/05/99/569760599.db2.gz CRONNNNQWMAHRO-QFIPXVFZSA-N 1 1 479.577 4.070 50 0 JIAAMO COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000036313010 569760651 /nfs/dbraw/zinc/76/06/51/569760651.db2.gz CRONNNNQWMAHRO-JOCHJYFZSA-N 1 1 479.577 4.070 50 0 JIAAMO COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000036313010 569760652 /nfs/dbraw/zinc/76/06/52/569760652.db2.gz CRONNNNQWMAHRO-JOCHJYFZSA-N 1 1 479.577 4.070 50 0 JIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)CN1CCOCC1 ZINC000036316066 569762124 /nfs/dbraw/zinc/76/21/24/569762124.db2.gz BNRXGQQINYZXKV-XMMPIXPASA-N 1 1 478.637 4.093 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000036341756 569764684 /nfs/dbraw/zinc/76/46/84/569764684.db2.gz CRSSXSCOBFQMSC-XMMPIXPASA-N 1 1 481.593 4.131 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccccc2Cl)C1 ZINC000036343935 569766683 /nfs/dbraw/zinc/76/66/83/569766683.db2.gz RBMKXSRUOXAUHL-MBSDFSHPSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccccc2Cl)C1 ZINC000036343935 569766684 /nfs/dbraw/zinc/76/66/84/569766684.db2.gz RBMKXSRUOXAUHL-MBSDFSHPSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(OCC)cc2)C1 ZINC000036343965 569766744 /nfs/dbraw/zinc/76/67/44/569766744.db2.gz MRWQCAVWYXROEM-OFVILXPXSA-N 1 1 481.568 4.177 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(OCC)cc2)C1 ZINC000036343965 569766745 /nfs/dbraw/zinc/76/67/45/569766745.db2.gz MRWQCAVWYXROEM-OFVILXPXSA-N 1 1 481.568 4.177 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344777 569767287 /nfs/dbraw/zinc/76/72/87/569767287.db2.gz DWCRCQWBWYUFEZ-OFVILXPXSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344777 569767288 /nfs/dbraw/zinc/76/72/88/569767288.db2.gz DWCRCQWBWYUFEZ-OFVILXPXSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345120 569767726 /nfs/dbraw/zinc/76/77/26/569767726.db2.gz LRSRLCFDJUBFBQ-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036345120 569767727 /nfs/dbraw/zinc/76/77/27/569767727.db2.gz LRSRLCFDJUBFBQ-NVQXNPDNSA-N 1 1 477.605 4.265 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)CN1CCOCC1 ZINC000036345935 569768554 /nfs/dbraw/zinc/76/85/54/569768554.db2.gz BPSHDKZHSCIZHW-RUZDIDTESA-N 1 1 478.637 4.187 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000036372965 569773607 /nfs/dbraw/zinc/77/36/07/569773607.db2.gz RJDXNHHQIWGPKP-UHFFFAOYSA-N 1 1 459.377 4.189 50 0 JIAAMO C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CC[N@@H+](C)C1CCCCC1 ZINC000037443421 569791065 /nfs/dbraw/zinc/79/10/65/569791065.db2.gz RMRXTYKQFSVLDO-NUANOYTQSA-N 1 1 468.642 4.408 50 0 JIAAMO O=C(CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038536027 569802482 /nfs/dbraw/zinc/80/24/82/569802482.db2.gz OQXXCQOBDMEYFW-UHFFFAOYSA-N 1 1 498.505 4.023 50 0 JIAAMO CCc1cc([C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546476 569803144 /nfs/dbraw/zinc/80/31/44/569803144.db2.gz IIEDLKKOCJMXJK-JOCHJYFZSA-N 1 1 453.564 4.221 50 0 JIAAMO O=C1NC2(CCCCC2)C(=O)N1CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000040061153 569815334 /nfs/dbraw/zinc/81/53/34/569815334.db2.gz LATMBTKDEJLIKW-UHFFFAOYSA-N 1 1 473.042 4.398 50 0 JIAAMO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)c2)cc1 ZINC000040112669 569816251 /nfs/dbraw/zinc/81/62/51/569816251.db2.gz QCMIMFPXCXYWLJ-HXUWFJFHSA-N 1 1 473.639 4.271 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355570 569824027 /nfs/dbraw/zinc/82/40/27/569824027.db2.gz HCPQJJMJAIAVFL-CQSZACIVSA-N 1 1 454.518 4.409 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355933 569824111 /nfs/dbraw/zinc/82/41/11/569824111.db2.gz XYLDCUHMQMOTAB-AWEZNQCLSA-N 1 1 454.518 4.409 50 0 JIAAMO COc1cc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)ccc1O ZINC000040416084 569827947 /nfs/dbraw/zinc/82/79/47/569827947.db2.gz RDAUCPSAKHXXCO-UHFFFAOYSA-N 1 1 470.566 4.400 50 0 JIAAMO CCC1=C(C(=O)OC)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103296452 569834315 /nfs/dbraw/zinc/83/43/15/569834315.db2.gz ZQUSJHMRNYUPKC-DEOSSOPVSA-N 1 1 482.650 4.112 50 0 JIAAMO Fc1ccccc1N1CC[NH+](CCNc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)nn2)CC1 ZINC000046913751 569845243 /nfs/dbraw/zinc/84/52/43/569845243.db2.gz RGIWBFNSUDCINA-UHFFFAOYSA-N 1 1 479.947 4.220 50 0 JIAAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104916341 569846902 /nfs/dbraw/zinc/84/69/02/569846902.db2.gz BPDONTXWXLGIGU-AOYPEHQESA-N 1 1 494.561 4.322 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000105000621 569849005 /nfs/dbraw/zinc/84/90/05/569849005.db2.gz CIVHMCANLIANCG-OFVILXPXSA-N 1 1 489.104 4.037 50 0 JIAAMO COC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000105004335 569849689 /nfs/dbraw/zinc/84/96/89/569849689.db2.gz FHHWNGOJEJTRGU-VWNXMTODSA-N 1 1 488.694 4.225 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000105004497 569849903 /nfs/dbraw/zinc/84/99/03/569849903.db2.gz WPNRCYREFWSVRD-XUZZJYLKSA-N 1 1 492.657 4.138 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010210 569850609 /nfs/dbraw/zinc/85/06/09/569850609.db2.gz DWCRCQWBWYUFEZ-PXDATVDWSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(F)c2)C1 ZINC000105010210 569850611 /nfs/dbraw/zinc/85/06/11/569850611.db2.gz DWCRCQWBWYUFEZ-PXDATVDWSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105012152 569851302 /nfs/dbraw/zinc/85/13/02/569851302.db2.gz LRSRLCFDJUBFBQ-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105012152 569851303 /nfs/dbraw/zinc/85/13/03/569851303.db2.gz LRSRLCFDJUBFBQ-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCC2)C1 ZINC000106403247 569854119 /nfs/dbraw/zinc/85/41/19/569854119.db2.gz YDVPXSSJXISZMQ-UYXZNNOOSA-N 1 1 470.683 4.344 50 0 JIAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677256 569868564 /nfs/dbraw/zinc/86/85/64/569868564.db2.gz TWAAQJYFTSRTQK-VWNXMTODSA-N 1 1 475.555 4.220 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)c1 ZINC000169677689 569868936 /nfs/dbraw/zinc/86/89/36/569868936.db2.gz OTQJFGCEUSJNMA-NOZRDPDXSA-N 1 1 478.564 4.407 50 0 JIAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC ZINC000169680278 569870283 /nfs/dbraw/zinc/87/02/83/569870283.db2.gz KCOZYKQGMBDKDH-PZJWPPBQSA-N 1 1 453.583 4.496 50 0 JIAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000245255234 570059998 /nfs/dbraw/zinc/05/99/98/570059998.db2.gz GHNGAUZSLLTQRK-APSVEGKFSA-N 1 1 497.982 4.366 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000247768552 570069401 /nfs/dbraw/zinc/06/94/01/570069401.db2.gz MLGJMTHGAGYBPQ-VXKWHMMOSA-N 1 1 464.562 4.120 50 0 JIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000247768552 570069402 /nfs/dbraw/zinc/06/94/02/570069402.db2.gz MLGJMTHGAGYBPQ-VXKWHMMOSA-N 1 1 464.562 4.120 50 0 JIAAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC000247901069 570071008 /nfs/dbraw/zinc/07/10/08/570071008.db2.gz VXTSVLCIBCNHMM-QPPBQGQZSA-N 1 1 453.579 4.257 50 0 JIAAMO CC(C)n1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)nc2ccccc21 ZINC000247970331 570071976 /nfs/dbraw/zinc/07/19/76/570071976.db2.gz DBOMQVCBRRHQMK-DEOSSOPVSA-N 1 1 459.638 4.174 50 0 JIAAMO CCN(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247984104 570072116 /nfs/dbraw/zinc/07/21/16/570072116.db2.gz KEFGLAYEAQCUKT-UHFFFAOYSA-N 1 1 455.400 4.478 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000248024836 570072845 /nfs/dbraw/zinc/07/28/45/570072845.db2.gz LASYVCZLLXUQJL-GOSISDBHSA-N 1 1 486.447 4.441 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000248024432 570072884 /nfs/dbraw/zinc/07/28/84/570072884.db2.gz VUBMPYPFGXDPNR-OAQYLSRUSA-N 1 1 463.601 4.317 50 0 JIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000248247183 570076793 /nfs/dbraw/zinc/07/67/93/570076793.db2.gz MYATWHDSUZQVNR-GOTSBHOMSA-N 1 1 454.567 4.222 50 0 JIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000248247183 570076795 /nfs/dbraw/zinc/07/67/95/570076795.db2.gz MYATWHDSUZQVNR-GOTSBHOMSA-N 1 1 454.567 4.222 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@@]21[C@H](C(=O)c2ccccc2)[C@]2(c3ccccc3NC2=O)[C@H]2CCC[N@H+]21 ZINC000248335563 570077949 /nfs/dbraw/zinc/07/79/49/570077949.db2.gz NEPASYFAGKCLAO-WYDAKKJLSA-N 1 1 463.537 4.010 50 0 JIAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000249688229 570078495 /nfs/dbraw/zinc/07/84/95/570078495.db2.gz IBSHULWTIGGDTQ-HXUWFJFHSA-N 1 1 466.029 4.270 50 0 JIAAMO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3C(=O)N2C)cc1 ZINC000253410096 570097546 /nfs/dbraw/zinc/09/75/46/570097546.db2.gz MVQUCZQSOGSQBX-HVLDEAOBSA-N 1 1 475.633 4.329 50 0 JIAAMO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3C(=O)N2C)cc1 ZINC000253410097 570097561 /nfs/dbraw/zinc/09/75/61/570097561.db2.gz MVQUCZQSOGSQBX-IZIBRLFBSA-N 1 1 475.633 4.329 50 0 JIAAMO COc1ccc(OC)c(-n2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3c2=O)c1 ZINC000253412201 570097822 /nfs/dbraw/zinc/09/78/22/570097822.db2.gz QEQAZPORHPNYFA-YADARESESA-N 1 1 475.589 4.002 50 0 JIAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000003459462 194330516 /nfs/dbraw/zinc/33/05/16/194330516.db2.gz FDBYKYHXPCFCSD-HSZRJFAPSA-N 1 1 497.617 4.070 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N(C)Cc3nc4ccsc4c(=O)[nH]3)c2c1C ZINC000009949935 195032846 /nfs/dbraw/zinc/03/28/46/195032846.db2.gz RZNUGPLVDUGGFF-UHFFFAOYSA-N 1 1 468.652 4.474 50 0 JIAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000009934074 195026384 /nfs/dbraw/zinc/02/63/84/195026384.db2.gz SYOZSPZHZBPQPE-HSZRJFAPSA-N 1 1 468.981 4.493 50 0 JIAAMO COCC[N@H+](Cc1ccccc1)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000012642282 195071849 /nfs/dbraw/zinc/07/18/49/195071849.db2.gz RFIRGGAMRUWBHS-RUZDIDTESA-N 1 1 465.590 4.319 50 0 JIAAMO COc1ccc([C@@H](NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c2ccccc2)cc1 ZINC000012691964 195088871 /nfs/dbraw/zinc/08/88/71/195088871.db2.gz XXPDGYOPMGWZIN-MHZLTWQESA-N 1 1 457.574 4.252 50 0 JIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012850287 195154492 /nfs/dbraw/zinc/15/44/92/195154492.db2.gz HOGVTEBWKRHADE-XMMPIXPASA-N 1 1 469.632 4.240 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21 ZINC000020730666 195210065 /nfs/dbraw/zinc/21/00/65/195210065.db2.gz POLGTGNIOQIANM-RYEBZEHMSA-N 1 1 465.569 4.363 50 0 JIAAMO CSc1ccccc1C(=O)NCc1c(C)ncc2c1CC[N@H+](Cc1c(C)nn(C)c1Cl)C2 ZINC000020780662 195224651 /nfs/dbraw/zinc/22/46/51/195224651.db2.gz CLMMUQYPOMODOT-UHFFFAOYSA-N 1 1 470.042 4.296 50 0 JIAAMO CSc1ccccc1C(=O)NCc1c(C)ncc2c1CC[N@@H+](Cc1c(C)nn(C)c1Cl)C2 ZINC000020780662 195224653 /nfs/dbraw/zinc/22/46/53/195224653.db2.gz CLMMUQYPOMODOT-UHFFFAOYSA-N 1 1 470.042 4.296 50 0 JIAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2nccs2)C1 ZINC000020907089 195245328 /nfs/dbraw/zinc/24/53/28/195245328.db2.gz SIFPOBOIYSBXLV-GOSISDBHSA-N 1 1 479.602 4.466 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000020938629 195254324 /nfs/dbraw/zinc/25/43/24/195254324.db2.gz SPRFGHHQEUKOPP-JOCHJYFZSA-N 1 1 485.632 4.481 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1 ZINC000020939441 195254621 /nfs/dbraw/zinc/25/46/21/195254621.db2.gz CQTLAUQZMGHYMN-HXUWFJFHSA-N 1 1 453.612 4.057 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1)C1CCCCC1 ZINC000020934600 195252114 /nfs/dbraw/zinc/25/21/14/195252114.db2.gz QLUVZUBOEIJVGX-UHFFFAOYSA-N 1 1 452.624 4.105 50 0 JIAAMO O=C(NCC[N@@H+](CCc1ccccc1)Cc1ccco1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000020996277 195264649 /nfs/dbraw/zinc/26/46/49/195264649.db2.gz HKDFVVCKVZTCTM-UHFFFAOYSA-N 1 1 489.645 4.362 50 0 JIAAMO CC[C@H](C)[N@@H+](CCNC(=O)CN1c2ccccc2-n2cccc2SCC1=O)Cc1cccs1 ZINC000021088738 195273886 /nfs/dbraw/zinc/27/38/86/195273886.db2.gz WKCZGOJCGGZETB-IBGZPJMESA-N 1 1 482.675 4.394 50 0 JIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)sc2C1 ZINC000021296951 195293401 /nfs/dbraw/zinc/29/34/01/195293401.db2.gz NVBKHGNLNKVQTN-UHFFFAOYSA-N 1 1 454.556 4.222 50 0 JIAAMO CC[N@H+]1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)sc2C1 ZINC000021296951 195293403 /nfs/dbraw/zinc/29/34/03/195293403.db2.gz NVBKHGNLNKVQTN-UHFFFAOYSA-N 1 1 454.556 4.222 50 0 JIAAMO COc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530537 195308586 /nfs/dbraw/zinc/30/85/86/195308586.db2.gz TZDYEAYRUFEFMO-SANMLTNESA-N 1 1 499.611 4.135 50 0 JIAAMO CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NC[C@H]2CCC[N@H+]2CC)c3C)cc1OCC ZINC000021913899 195331289 /nfs/dbraw/zinc/33/12/89/195331289.db2.gz XOHYHRMBRACQRT-HXUWFJFHSA-N 1 1 465.598 4.025 50 0 JIAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)CCO1 ZINC000057997138 195361514 /nfs/dbraw/zinc/36/15/14/195361514.db2.gz OYVKKEAZBPFANL-FQEVSTJZSA-N 1 1 458.562 4.481 50 0 JIAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)CCO1 ZINC000057997138 195361517 /nfs/dbraw/zinc/36/15/17/195361517.db2.gz OYVKKEAZBPFANL-FQEVSTJZSA-N 1 1 458.562 4.481 50 0 JIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000058323227 195377349 /nfs/dbraw/zinc/37/73/49/195377349.db2.gz FXBGRWYWRSZKDJ-SFHVURJKSA-N 1 1 452.555 4.207 50 0 JIAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc3c(c2)OCCO3)CC1 ZINC000096277976 130019013 /nfs/dbraw/zinc/01/90/13/130019013.db2.gz OLMHXKCGCRPVQZ-LJQANCHMSA-N 1 1 453.970 4.279 50 0 JIAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccccc1 ZINC000036158691 519652229 /nfs/dbraw/zinc/65/22/29/519652229.db2.gz BYMQNXVFOLRQKR-HXUWFJFHSA-N 1 1 469.651 4.289 50 0 JIAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccccc1 ZINC000036158691 519652231 /nfs/dbraw/zinc/65/22/31/519652231.db2.gz BYMQNXVFOLRQKR-HXUWFJFHSA-N 1 1 469.651 4.289 50 0 JIAAMO CCC[N@@H+]1C/C(=C\c2cccc(OC)c2OC)C2=NN(C(C)=O)[C@@H](c3cccc(OC)c3OC)[C@@H]2C1 ZINC000043157541 519842014 /nfs/dbraw/zinc/84/20/14/519842014.db2.gz JXVSSKQLKDTEED-OLIWKIQBSA-N 1 1 493.604 4.406 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302735 520092174 /nfs/dbraw/zinc/09/21/74/520092174.db2.gz LMQMZBMJNUXHPT-QFIPXVFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302735 520092182 /nfs/dbraw/zinc/09/21/82/520092182.db2.gz LMQMZBMJNUXHPT-QFIPXVFZSA-N 1 1 483.609 4.081 50 0 JIAAMO CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCC[NH+]1CCOCC1 ZINC000020111602 520315690 /nfs/dbraw/zinc/31/56/90/520315690.db2.gz WRETVLSXAPXKOW-IRIOAYRLSA-N 1 1 464.691 4.258 50 0 biogenic JIAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000033331929 520475854 /nfs/dbraw/zinc/47/58/54/520475854.db2.gz AKISFTBPHGVHDM-SALGDXJJSA-N 1 1 456.631 4.266 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080282 520516897 /nfs/dbraw/zinc/51/68/97/520516897.db2.gz CRDPUDAOORRLLK-NVQXNPDNSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080282 520516917 /nfs/dbraw/zinc/51/69/17/520516917.db2.gz CRDPUDAOORRLLK-NVQXNPDNSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080282 520516923 /nfs/dbraw/zinc/51/69/23/520516923.db2.gz CRDPUDAOORRLLK-NVQXNPDNSA-N 1 1 477.605 4.443 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C/C=C/c2ccco2)CCO3)C1 ZINC000014951207 520525908 /nfs/dbraw/zinc/52/59/08/520525908.db2.gz BWWOCVSOCAATAD-MFJULSPGSA-N 1 1 451.611 4.268 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)CCO3)C1 ZINC000014882808 520540088 /nfs/dbraw/zinc/54/00/88/520540088.db2.gz WKEGTOOXNMNABS-DEOSSOPVSA-N 1 1 495.664 4.179 50 0 JIAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC1CC1 ZINC000036309553 521182575 /nfs/dbraw/zinc/18/25/75/521182575.db2.gz KSPOAOFVXHDJFI-URXFXBBRSA-N 1 1 456.652 4.434 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036309497 521537820 /nfs/dbraw/zinc/53/78/20/521537820.db2.gz MSJYLCORJXSVBF-URXFXBBRSA-N 1 1 488.694 4.449 50 0 JIAAMO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H]([N@@H+](C)Cc1nc3ccccc3s1)CC2 ZINC000014741453 521927985 /nfs/dbraw/zinc/92/79/85/521927985.db2.gz LIKOQDCUBJADEC-LJQANCHMSA-N 1 1 459.619 4.084 50 0 JIAAMO COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305718 522401694 /nfs/dbraw/zinc/40/16/94/522401694.db2.gz BXVGOAQIJJZUHE-NRFANRHFSA-N 1 1 453.583 4.353 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000008590386 523167668 /nfs/dbraw/zinc/16/76/68/523167668.db2.gz ISMFSTQCYYATNF-GOSISDBHSA-N 1 1 456.974 4.258 50 0 JIAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c2ccccc2O1 ZINC000020489446 523229510 /nfs/dbraw/zinc/22/95/10/523229510.db2.gz AMOFTTBWISKAQR-DEOSSOPVSA-N 1 1 478.637 4.134 50 0 JIAAMO COCCC[N@H+](Cc1ccco1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020441638 523264089 /nfs/dbraw/zinc/26/40/89/523264089.db2.gz DCXPKISXUOWPHN-QHCPKHFHSA-N 1 1 462.999 4.491 50 0 JIAAMO COCCC[N@@H+](Cc1ccco1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020441638 523264094 /nfs/dbraw/zinc/26/40/94/523264094.db2.gz DCXPKISXUOWPHN-QHCPKHFHSA-N 1 1 462.999 4.491 50 0 JIAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036205391 523269560 /nfs/dbraw/zinc/26/95/60/523269560.db2.gz ZGJWMBVKXNEEDK-NRFANRHFSA-N 1 1 487.666 4.140 50 0 JIAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036205391 523269567 /nfs/dbraw/zinc/26/95/67/523269567.db2.gz ZGJWMBVKXNEEDK-NRFANRHFSA-N 1 1 487.666 4.140 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)n2)cc1OC ZINC000021880542 523287685 /nfs/dbraw/zinc/28/76/85/523287685.db2.gz NHHDZJMUJRMIFQ-UHFFFAOYSA-N 1 1 474.920 4.397 50 0 JIAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000016631360 523360467 /nfs/dbraw/zinc/36/04/67/523360467.db2.gz BGMXRCDWZQNIMF-NRFANRHFSA-N 1 1 451.519 4.090 50 0 JIAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000016631360 523360472 /nfs/dbraw/zinc/36/04/72/523360472.db2.gz BGMXRCDWZQNIMF-NRFANRHFSA-N 1 1 451.519 4.090 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036305331 523734612 /nfs/dbraw/zinc/73/46/12/523734612.db2.gz JKTYJZXMIHNTIO-HSZRJFAPSA-N 1 1 497.636 4.370 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036305990 523735099 /nfs/dbraw/zinc/73/50/99/523735099.db2.gz WHGJLGKMWKYAJO-QFIPXVFZSA-N 1 1 483.609 4.122 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036306701 523735372 /nfs/dbraw/zinc/73/53/72/523735372.db2.gz IKUMLKMQJUGFBD-NRFANRHFSA-N 1 1 471.573 4.253 50 0 JIAAMO COc1ccc(C)cc1C[NH+]1CCN(Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 ZINC000022931512 523810774 /nfs/dbraw/zinc/81/07/74/523810774.db2.gz AZZDEJAFTWPYEJ-UHFFFAOYSA-N 1 1 464.635 4.268 50 0 JIAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)CC2 ZINC000014733746 524032464 /nfs/dbraw/zinc/03/24/64/524032464.db2.gz IMVVMEVNQORJMA-OAQYLSRUSA-N 1 1 464.997 4.039 50 0 JIAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@H+]1CCOc3ccc(Cl)cc3C1)CC2 ZINC000014733746 524032465 /nfs/dbraw/zinc/03/24/65/524032465.db2.gz IMVVMEVNQORJMA-OAQYLSRUSA-N 1 1 464.997 4.039 50 0 JIAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014747971 524476775 /nfs/dbraw/zinc/47/67/75/524476775.db2.gz HTXNGZYDRSUZGJ-BJKOFHAPSA-N 1 1 489.591 4.270 50 0 JIAAMO COc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4cccc(C)c4)CC3)no2)c(OC)c1 ZINC000008599110 524487022 /nfs/dbraw/zinc/48/70/22/524487022.db2.gz CWLBANDJPKAGAO-UHFFFAOYSA-N 1 1 462.550 4.256 50 0 JIAAMO COc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)cc1Cl ZINC000020467739 524507907 /nfs/dbraw/zinc/50/79/07/524507907.db2.gz JGJNEKLSSMJAJW-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)cc1Cl ZINC000020467739 524507915 /nfs/dbraw/zinc/50/79/15/524507915.db2.gz JGJNEKLSSMJAJW-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO Cc1cc(C)n2nc(C(=O)NC[C@H](C)Oc3cccc(C[N@@H+](C)Cc4cccs4)c3)cc2n1 ZINC000014976070 524566716 /nfs/dbraw/zinc/56/67/16/524566716.db2.gz MLGRYYXPQZOVPR-IBGZPJMESA-N 1 1 463.607 4.237 50 0 JIAAMO Cc1cccc(NC(=O)CN2CC[NH+](Cn3c(Cc4ccccc4)nc4ccccc43)CC2)c1C ZINC000022802381 524594971 /nfs/dbraw/zinc/59/49/71/524594971.db2.gz SLENBQIGAUMXMP-UHFFFAOYSA-N 1 1 467.617 4.458 50 0 JIAAMO COc1ccccc1NC(=O)c1cc(C[NH2+]Cc2ccc3nsnc3c2)cc(NC(C)=O)c1 ZINC000014996366 524626562 /nfs/dbraw/zinc/62/65/62/524626562.db2.gz GBAUTKOKCAGJLH-UHFFFAOYSA-N 1 1 461.547 4.200 50 0 JIAAMO COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1C ZINC000016259255 524641883 /nfs/dbraw/zinc/64/18/83/524641883.db2.gz QTTXBRJUFJJDBM-XMMPIXPASA-N 1 1 493.629 4.371 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COCC(C)C)C2CC2)c1 ZINC000036309475 524758698 /nfs/dbraw/zinc/75/86/98/524758698.db2.gz IQXRCXMWGRDDHO-WIOPSUGQSA-N 1 1 486.678 4.059 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)c1 ZINC000036309510 524764709 /nfs/dbraw/zinc/76/47/09/524764709.db2.gz SHFWKKWZFIASQA-DHLKQENFSA-N 1 1 486.678 4.059 50 0 JIAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1 ZINC000020453610 525003987 /nfs/dbraw/zinc/00/39/87/525003987.db2.gz QZEATKBEPYJQJQ-IGKIAQTJSA-N 1 1 487.648 4.162 50 0 JIAAMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 ZINC000033280359 525715881 /nfs/dbraw/zinc/71/58/81/525715881.db2.gz YOJXNHJUHWMXHE-OAQYLSRUSA-N 1 1 485.632 4.014 50 0 JIAAMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 ZINC000033280359 525715887 /nfs/dbraw/zinc/71/58/87/525715887.db2.gz YOJXNHJUHWMXHE-OAQYLSRUSA-N 1 1 485.632 4.014 50 0 JIAAMO Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033173390 525731178 /nfs/dbraw/zinc/73/11/78/525731178.db2.gz GWIZLFDESBRXHY-UHFFFAOYSA-N 1 1 457.518 4.308 50 0 JIAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103721 525925132 /nfs/dbraw/zinc/92/51/32/525925132.db2.gz QCERPLVYOMCUAO-HSZRJFAPSA-N 1 1 465.546 4.012 50 0 JIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103721 525925142 /nfs/dbraw/zinc/92/51/42/525925142.db2.gz QCERPLVYOMCUAO-HSZRJFAPSA-N 1 1 465.546 4.012 50 0 JIAAMO Cc1cc(=O)c(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)c(C2CC2)n1Cc1cccs1 ZINC000020136258 526128089 /nfs/dbraw/zinc/12/80/89/526128089.db2.gz JTRPQXVICPTJDC-UHFFFAOYSA-N 1 1 483.678 4.299 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002450301 526220990 /nfs/dbraw/zinc/22/09/90/526220990.db2.gz SNKLAHRIDVWWMW-DOGKRZLPSA-N 1 1 470.356 4.041 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461456 526246740 /nfs/dbraw/zinc/24/67/40/526246740.db2.gz QECKTAJZZFILIH-FQEVSTJZSA-N 1 1 453.656 4.225 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021863330 526248512 /nfs/dbraw/zinc/24/85/12/526248512.db2.gz HWKOGSBLMOVRER-DCFHFQCYSA-N 1 1 466.626 4.286 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)CC3)[nH]c2c1 ZINC000033070885 526252074 /nfs/dbraw/zinc/25/20/74/526252074.db2.gz OUZYWIHJGAPACV-UHFFFAOYSA-N 1 1 488.680 4.033 50 0 JIAAMO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+]4CCN(c5cccc(C)c5)[C@@H](C)C4)CC3)nc2c1 ZINC000033070890 526252149 /nfs/dbraw/zinc/25/21/49/526252149.db2.gz IIZTXPFLRFFTJM-QHCPKHFHSA-N 1 1 488.680 4.113 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+]4CCN(c5cccc(C)c5)[C@@H](C)C4)CC3)[nH]c2c1 ZINC000033070890 526252154 /nfs/dbraw/zinc/25/21/54/526252154.db2.gz IIZTXPFLRFFTJM-QHCPKHFHSA-N 1 1 488.680 4.113 50 0 JIAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@H+]4CCN(c5cccc(C)c5)[C@@H](C)C4)CC3)[nH]c2c1 ZINC000033070890 526252157 /nfs/dbraw/zinc/25/21/57/526252157.db2.gz IIZTXPFLRFFTJM-QHCPKHFHSA-N 1 1 488.680 4.113 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146601 526291605 /nfs/dbraw/zinc/29/16/05/526291605.db2.gz KNSXJQQFPXPRDE-ZCYQVOJMSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146601 526291610 /nfs/dbraw/zinc/29/16/10/526291610.db2.gz KNSXJQQFPXPRDE-ZCYQVOJMSA-N 1 1 452.501 4.400 50 0 JIAAMO O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013749976 526688056 /nfs/dbraw/zinc/68/80/56/526688056.db2.gz VSJJDZVBIUKBKS-UHFFFAOYSA-N 1 1 487.003 4.451 50 0 JIAAMO Cc1nonc1C[N@@H+](C)[C@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000014980923 526701968 /nfs/dbraw/zinc/70/19/68/526701968.db2.gz SPAABNKTUFUUSX-INIZCTEOSA-N 1 1 469.998 4.035 50 0 JIAAMO Cc1nonc1C[N@H+](C)[C@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000014980923 526701972 /nfs/dbraw/zinc/70/19/72/526701972.db2.gz SPAABNKTUFUUSX-INIZCTEOSA-N 1 1 469.998 4.035 50 0 JIAAMO O=C(NCc1cccc(C(F)(F)F)c1)c1csc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000034685162 526712013 /nfs/dbraw/zinc/71/20/13/526712013.db2.gz DAHZRZREPYMUFG-UHFFFAOYSA-N 1 1 474.552 4.410 50 0 JIAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)CC1 ZINC000009846786 526856927 /nfs/dbraw/zinc/85/69/27/526856927.db2.gz PLGVWUAVUSDMOK-JNARNYEQSA-N 1 1 468.648 4.130 50 0 JIAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000000755012 553777496 /nfs/dbraw/zinc/77/74/96/553777496.db2.gz LIVQCRLVWMQJAD-NRFANRHFSA-N 1 1 466.383 4.489 50 0 JIAAMO COc1ccc(-c2oc3ncn(CCC[NH+]4CCOCC4)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000002208463 554093702 /nfs/dbraw/zinc/09/37/02/554093702.db2.gz MRXRJNDMHBXXHX-UHFFFAOYSA-N 1 1 474.561 4.182 50 0 JIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccccc1Cl ZINC000002372912 554171503 /nfs/dbraw/zinc/17/15/03/554171503.db2.gz FERZRKNCTYGXBA-NRFANRHFSA-N 1 1 483.977 4.471 50 0 JIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccccc1Cl ZINC000002372912 554171505 /nfs/dbraw/zinc/17/15/05/554171505.db2.gz FERZRKNCTYGXBA-NRFANRHFSA-N 1 1 483.977 4.471 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCC(CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000008813390 554695735 /nfs/dbraw/zinc/69/57/35/554695735.db2.gz YPNMXXQAXBPSMB-STEQJIOHSA-N 1 1 491.742 4.467 50 0 JIAAMO CC(C)[N@@H+](CCCNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC000008813545 554695996 /nfs/dbraw/zinc/69/59/96/554695996.db2.gz NPZJQHNOWNOSOR-UHFFFAOYSA-N 1 1 485.694 4.188 50 0 JIAAMO C[N@@H+](CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1)C1CCCCC1 ZINC000008877293 554772553 /nfs/dbraw/zinc/77/25/53/554772553.db2.gz GNZFZPDNUVTKEJ-UHFFFAOYSA-N 1 1 467.031 4.432 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000009212132 554982742 /nfs/dbraw/zinc/98/27/42/554982742.db2.gz HOBQHZSUGLUZRW-JOCHJYFZSA-N 1 1 481.618 4.146 50 0 JIAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(C(=O)c5ccccc5)cc4)cc3s2)CC1 ZINC000009316209 555091373 /nfs/dbraw/zinc/09/13/73/555091373.db2.gz RRQJSUMDQIBKJG-UHFFFAOYSA-N 1 1 457.555 4.498 50 0 JIAAMO CCOCCCNC(=O)c1c(N)n(-c2ccc([NH+](CC)CC)cc2)c2nc3ccccc3nc21 ZINC000009424101 555188625 /nfs/dbraw/zinc/18/86/25/555188625.db2.gz NWCKWDTXYUETFQ-UHFFFAOYSA-N 1 1 460.582 4.159 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000009501915 555286466 /nfs/dbraw/zinc/28/64/66/555286466.db2.gz KIKJYBGGFVQLPX-VWLOTQADSA-N 1 1 492.620 4.081 50 0 JIAAMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1Cl ZINC000013367144 555389522 /nfs/dbraw/zinc/38/95/22/555389522.db2.gz WXQCZPWZGSAJMH-INIZCTEOSA-N 1 1 486.956 4.267 50 0 JIAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1Cl ZINC000013367144 555389524 /nfs/dbraw/zinc/38/95/24/555389524.db2.gz WXQCZPWZGSAJMH-INIZCTEOSA-N 1 1 486.956 4.267 50 0 JIAAMO O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013395375 555394682 /nfs/dbraw/zinc/39/46/82/555394682.db2.gz XLYXLBRHTGCSOE-UHFFFAOYSA-N 1 1 466.935 4.315 50 0 JIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3ccccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000013540704 555489019 /nfs/dbraw/zinc/48/90/19/555489019.db2.gz NXEUHYNOOZVOSO-UWUVRSBPSA-N 1 1 493.563 4.100 50 0 JIAAMO COc1ccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1Br ZINC000019889700 555529189 /nfs/dbraw/zinc/52/91/89/555529189.db2.gz RUZMGYWPPNONJO-UHFFFAOYSA-N 1 1 458.444 4.240 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1 ZINC000009841310 555544265 /nfs/dbraw/zinc/54/42/65/555544265.db2.gz HDDRMYWFMWAQAN-QFIPXVFZSA-N 1 1 480.682 4.195 50 0 JIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCc2ccccc2C1 ZINC000019954135 555570060 /nfs/dbraw/zinc/57/00/60/555570060.db2.gz FMULAFSFCCIKHF-AHKZPQOWSA-N 1 1 482.068 4.228 50 0 JIAAMO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)N1CCc2ccccc2C1 ZINC000019954135 555570061 /nfs/dbraw/zinc/57/00/61/555570061.db2.gz FMULAFSFCCIKHF-AHKZPQOWSA-N 1 1 482.068 4.228 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccccc1 ZINC000013765407 555613140 /nfs/dbraw/zinc/61/31/40/555613140.db2.gz AYYQSSQQRIAMEI-CLCOLTQESA-N 1 1 493.991 4.209 50 0 JIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)c(Cl)c2)C1 ZINC000020112375 555649969 /nfs/dbraw/zinc/64/99/69/555649969.db2.gz WZDQLFMAWDYZPE-UPCLLVRISA-N 1 1 491.419 4.429 50 0 JIAAMO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020153786 555673460 /nfs/dbraw/zinc/67/34/60/555673460.db2.gz BSCBMBWIWCBRKN-QFIPXVFZSA-N 1 1 468.715 4.236 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020153786 555673461 /nfs/dbraw/zinc/67/34/61/555673461.db2.gz BSCBMBWIWCBRKN-QFIPXVFZSA-N 1 1 468.715 4.236 50 0 JIAAMO O=C(CNC(=O)C[N@H+](CCc1cccs1)Cc1cccs1)Nc1ccc(F)c(F)c1F ZINC000014136378 555704128 /nfs/dbraw/zinc/70/41/28/555704128.db2.gz AYALGWUVPJJSTJ-UHFFFAOYSA-N 1 1 467.538 4.027 50 0 JIAAMO O=C(CNC(=O)C[N@@H+](CCc1cccs1)Cc1cccs1)Nc1ccc(F)c(F)c1F ZINC000014136378 555704130 /nfs/dbraw/zinc/70/41/30/555704130.db2.gz AYALGWUVPJJSTJ-UHFFFAOYSA-N 1 1 467.538 4.027 50 0 JIAAMO COc1ccc(-c2nn(C)c3sc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc23)cc1OC ZINC000020233678 555724605 /nfs/dbraw/zinc/72/46/05/555724605.db2.gz JBSBQTNYEORTIT-CALCHBBNSA-N 1 1 470.639 4.417 50 0 JIAAMO O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014201352 555732876 /nfs/dbraw/zinc/73/28/76/555732876.db2.gz ABGTUWMPYPQYPV-DEOSSOPVSA-N 1 1 457.599 4.423 50 0 JIAAMO CC[C@H](C)[N@@H+](CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C1CCCCC1 ZINC000020241886 555737992 /nfs/dbraw/zinc/73/79/92/555737992.db2.gz ZRGGZJNSVZTRLT-FQEVSTJZSA-N 1 1 489.682 4.423 50 0 JIAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)/C=C/c4cccs4)CC3)cc2)cn1 ZINC000020271779 555749011 /nfs/dbraw/zinc/74/90/11/555749011.db2.gz ZGFYBESDBBGSIK-MDZDMXLPSA-N 1 1 450.608 4.197 50 0 JIAAMO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cc(F)ccc3F)CC2)C1=O ZINC000014532025 555819574 /nfs/dbraw/zinc/81/95/74/555819574.db2.gz IJUAQYZTXQAYLW-UHFFFAOYSA-N 1 1 455.549 4.462 50 0 JIAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)CCc2ccc3c(c2)OCO3)Cc2ccccc2O1 ZINC000020599382 555840948 /nfs/dbraw/zinc/84/09/48/555840948.db2.gz ZZXGEZNOORXVMT-HHHXNRCGSA-N 1 1 474.557 4.109 50 0 JIAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)CCc2ccc3c(c2)OCO3)Cc2ccccc2O1 ZINC000020599382 555840949 /nfs/dbraw/zinc/84/09/49/555840949.db2.gz ZZXGEZNOORXVMT-HHHXNRCGSA-N 1 1 474.557 4.109 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000022130672 555879734 /nfs/dbraw/zinc/87/97/34/555879734.db2.gz LQOXGXHYMADDCP-LXFBAYGMSA-N 1 1 461.558 4.294 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1)CC2 ZINC000022130672 555879737 /nfs/dbraw/zinc/87/97/37/555879737.db2.gz LQOXGXHYMADDCP-LXFBAYGMSA-N 1 1 461.558 4.294 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000022215551 555885289 /nfs/dbraw/zinc/88/52/89/555885289.db2.gz HHHWTFAOWIWUGB-QYQHSDTDSA-N 1 1 485.584 4.088 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1 ZINC000012037806 555891040 /nfs/dbraw/zinc/89/10/40/555891040.db2.gz HOCROXDBMSALBJ-VWLOTQADSA-N 1 1 475.637 4.479 50 0 JIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000015477257 555910551 /nfs/dbraw/zinc/91/05/51/555910551.db2.gz LWRNUHUVQYFFFF-QFIPXVFZSA-N 1 1 471.554 4.177 50 0 JIAAMO CCC[C@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000012150498 555922812 /nfs/dbraw/zinc/92/28/12/555922812.db2.gz KWYJANOWDKSMFL-RCZVLFRGSA-N 1 1 494.602 4.492 50 0 JIAAMO CCC[C@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000012150498 555922814 /nfs/dbraw/zinc/92/28/14/555922814.db2.gz KWYJANOWDKSMFL-RCZVLFRGSA-N 1 1 494.602 4.492 50 0 JIAAMO C/C=C(\C)C[N@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000012151174 555923747 /nfs/dbraw/zinc/92/37/47/555923747.db2.gz TXDNMARIXMRNRW-QGCHEZGBSA-N 1 1 450.608 4.389 50 0 JIAAMO C/C=C(\C)C[N@@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000012151174 555923749 /nfs/dbraw/zinc/92/37/49/555923749.db2.gz TXDNMARIXMRNRW-QGCHEZGBSA-N 1 1 450.608 4.389 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](c3nc(SCc4cccnc4)ncc3C)C2)CC1 ZINC000012161035 555931037 /nfs/dbraw/zinc/93/10/37/555931037.db2.gz YBZJXMZQOXNLMP-HXUWFJFHSA-N 1 1 455.628 4.273 50 0 JIAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1Cl ZINC000015726293 555964514 /nfs/dbraw/zinc/96/45/14/555964514.db2.gz HNPQFPVGIZNSMC-UHFFFAOYSA-N 1 1 486.956 4.267 50 0 JIAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cc(C)ccc2C)CC3)o1 ZINC000023130164 556019331 /nfs/dbraw/zinc/01/93/31/556019331.db2.gz VIYNYIAOUSJCRR-HSZRJFAPSA-N 1 1 479.625 4.210 50 0 JIAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000015835751 556020741 /nfs/dbraw/zinc/02/07/41/556020741.db2.gz BVJHJMVOMZLCGK-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 JIAAMO CCOC(=O)c1c(C)[nH]c(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000023248259 556034003 /nfs/dbraw/zinc/03/40/03/556034003.db2.gz LWEYWVRPZZYGFN-UHFFFAOYSA-N 1 1 459.590 4.398 50 0 JIAAMO CC(C)Oc1ccc(C(=O)NCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000015980404 556099246 /nfs/dbraw/zinc/09/92/46/556099246.db2.gz FWJPOYGLSVBBHW-UHFFFAOYSA-N 1 1 471.601 4.137 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015999319 556104703 /nfs/dbraw/zinc/10/47/03/556104703.db2.gz USLXYLBZAWHKFL-XQNUDUSMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015999319 556104704 /nfs/dbraw/zinc/10/47/04/556104704.db2.gz USLXYLBZAWHKFL-XQNUDUSMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001223 556106337 /nfs/dbraw/zinc/10/63/37/556106337.db2.gz UGKUDNJFAPISPO-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012262 556111275 /nfs/dbraw/zinc/11/12/75/556111275.db2.gz PRQCOHVPGGEQMN-PCQCASEHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012262 556111278 /nfs/dbraw/zinc/11/12/78/556111278.db2.gz PRQCOHVPGGEQMN-PCQCASEHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(O)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccccc1 ZINC000024022710 556116593 /nfs/dbraw/zinc/11/65/93/556116593.db2.gz BPQIVBWBRYZQPP-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012974423 556166095 /nfs/dbraw/zinc/16/60/95/556166095.db2.gz QZTWDZQDTLZSQV-QHCPKHFHSA-N 1 1 467.591 4.062 50 0 JIAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000024977093 556167144 /nfs/dbraw/zinc/16/71/44/556167144.db2.gz SRUVAARHALQAJY-QHCPKHFHSA-N 1 1 476.042 4.463 50 0 JIAAMO C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891084 556172117 /nfs/dbraw/zinc/17/21/17/556172117.db2.gz DAKZOQRZAHWKLX-BXKMTCNYSA-N 1 1 467.566 4.298 50 0 JIAAMO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c(=O)n1Cc1cccnc1 ZINC000016993853 556198343 /nfs/dbraw/zinc/19/83/43/556198343.db2.gz SLOWMGPJDVOJIN-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017178350 556233191 /nfs/dbraw/zinc/23/31/91/556233191.db2.gz ASQCSTZYSORLPZ-UHFFFAOYSA-N 1 1 489.641 4.164 50 0 JIAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000013115961 556323407 /nfs/dbraw/zinc/32/34/07/556323407.db2.gz UYCKRJNXEHALTB-JBYIUTFZSA-N 1 1 494.057 4.167 50 0 JIAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029218051 556348943 /nfs/dbraw/zinc/34/89/43/556348943.db2.gz VHFZKFQAPGWDEA-VWLOTQADSA-N 1 1 474.070 4.269 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000029692216 556355092 /nfs/dbraw/zinc/35/50/92/556355092.db2.gz XTOBYEYMSXNORT-CYFREDJKSA-N 1 1 462.512 4.452 50 0 JIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000029692216 556355095 /nfs/dbraw/zinc/35/50/95/556355095.db2.gz XTOBYEYMSXNORT-CYFREDJKSA-N 1 1 462.512 4.452 50 0 JIAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCC[N@@H+](C[C@H]5CCCO5)CC4)cc3)ccc12 ZINC000032809835 556499633 /nfs/dbraw/zinc/49/96/33/556499633.db2.gz RVJJUIHDHJOVNA-XMMPIXPASA-N 1 1 476.573 4.007 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3noc4c3COc3ccc(C)cc3-4)C[C@H]2C)c1 ZINC000032920487 556541007 /nfs/dbraw/zinc/54/10/07/556541007.db2.gz ITQMSZKJEKNEDI-HXUWFJFHSA-N 1 1 460.578 4.181 50 0 JIAAMO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000008617145 562948174 /nfs/dbraw/zinc/94/81/74/562948174.db2.gz ZNXSIUXUSZYFJF-MUUNZHRXSA-N 1 1 485.584 4.424 50 0 aggregator JIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057105255 569594396 /nfs/dbraw/zinc/59/43/96/569594396.db2.gz SZNYFDWSZUEBPP-DARZMLDPSA-N 1 1 495.554 4.403 50 0 JIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc(OC)c1OC ZINC000008722571 569599021 /nfs/dbraw/zinc/59/90/21/569599021.db2.gz CGMGEOIKMQRWDI-QHCPKHFHSA-N 1 1 465.575 4.186 50 0 JIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc(OC)c1OC ZINC000008722571 569599023 /nfs/dbraw/zinc/59/90/23/569599023.db2.gz CGMGEOIKMQRWDI-QHCPKHFHSA-N 1 1 465.575 4.186 50 0 JIAAMO O=C(C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000062606412 569612898 /nfs/dbraw/zinc/61/28/98/569612898.db2.gz JMHXQZHUHAYZEZ-UHFFFAOYSA-N 1 1 499.537 4.316 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1 ZINC000033331782 569624440 /nfs/dbraw/zinc/62/44/40/569624440.db2.gz RAYJHFNEMYSSAC-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1 ZINC000033331782 569624442 /nfs/dbraw/zinc/62/44/42/569624442.db2.gz RAYJHFNEMYSSAC-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)C1 ZINC000033332058 569624695 /nfs/dbraw/zinc/62/46/95/569624695.db2.gz ZSNXMBVXUDOFES-SFHVURJKSA-N 1 1 487.442 4.035 50 0 JIAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064801871 569631633 /nfs/dbraw/zinc/63/16/33/569631633.db2.gz WSFPXKSRZAYTKH-UHFFFAOYSA-N 1 1 453.568 4.328 50 0 JIAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667479 569640413 /nfs/dbraw/zinc/64/04/13/569640413.db2.gz TZCUYSBFKVMWRR-KMRXNPHXSA-N 1 1 489.591 4.104 50 0 JIAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667479 569640414 /nfs/dbraw/zinc/64/04/14/569640414.db2.gz TZCUYSBFKVMWRR-KMRXNPHXSA-N 1 1 489.591 4.104 50 0 JIAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000034668059 569640580 /nfs/dbraw/zinc/64/05/80/569640580.db2.gz XNYDBXAKQIJRHH-UHFFFAOYSA-N 1 1 458.484 4.097 50 0 JIAAMO COc1ccccc1CCNC(=O)c1coc(CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000034678336 569642275 /nfs/dbraw/zinc/64/22/75/569642275.db2.gz JWLUNMFLKGXITC-UHFFFAOYSA-N 1 1 490.648 4.271 50 0 JIAAMO O=C(Nc1ccc(F)cc1)c1coc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000034678030 569642316 /nfs/dbraw/zinc/64/23/16/569642316.db2.gz QVMOLKWKNNDEQY-UHFFFAOYSA-N 1 1 462.447 4.403 50 0 JIAAMO Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)nc2)cc1 ZINC000065023315 569649844 /nfs/dbraw/zinc/64/98/44/569649844.db2.gz XJIQMBDQJPXFPE-VWLOTQADSA-N 1 1 455.606 4.013 50 0 JIAAMO Cc1ccc(F)c(CN2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1 ZINC000034755507 569655869 /nfs/dbraw/zinc/65/58/69/569655869.db2.gz AZJOCRGTWWQSOV-UHFFFAOYSA-N 1 1 465.548 4.166 50 0 JIAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(Cc1cc(C)ccc1F)CC2 ZINC000034755623 569656000 /nfs/dbraw/zinc/65/60/00/569656000.db2.gz CXIBNWMZSZRVKM-UHFFFAOYSA-N 1 1 477.584 4.035 50 0 JIAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(Cl)cc2)CC3)ccc1F ZINC000034758554 569657347 /nfs/dbraw/zinc/65/73/47/569657347.db2.gz ZXKLKJQQQJRCIZ-UHFFFAOYSA-N 1 1 495.986 4.320 50 0 JIAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787250 569659535 /nfs/dbraw/zinc/65/95/35/569659535.db2.gz WRJJTIDHBIACOS-MHZLTWQESA-N 1 1 473.642 4.379 50 0 JIAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787250 569659536 /nfs/dbraw/zinc/65/95/36/569659536.db2.gz WRJJTIDHBIACOS-MHZLTWQESA-N 1 1 473.642 4.379 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@H](C)C2)cc1 ZINC000034829774 569663473 /nfs/dbraw/zinc/66/34/73/569663473.db2.gz GMGJROSYYCSYTQ-FQRUVTKNSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@H](C)C2)cc1 ZINC000034829774 569663475 /nfs/dbraw/zinc/66/34/75/569663475.db2.gz GMGJROSYYCSYTQ-FQRUVTKNSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034830326 569663846 /nfs/dbraw/zinc/66/38/46/569663846.db2.gz JQICXOFZQSMVNL-NBGIEHNGSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc1 ZINC000034850199 569667122 /nfs/dbraw/zinc/66/71/22/569667122.db2.gz GWMBPMUFLFJILW-BWKNWUBXSA-N 1 1 489.645 4.324 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)[C@@H]1c1ccccc1 ZINC000034927910 569673331 /nfs/dbraw/zinc/67/33/31/569673331.db2.gz UNTUVIRHLQGZMP-VMPREFPWSA-N 1 1 497.639 4.267 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@]21[C@H](C(=O)c2ccccc2)[C@]2(c3ccccc3NC2=O)[C@H]2CCC[N@H+]21 ZINC000035374515 569684143 /nfs/dbraw/zinc/68/41/43/569684143.db2.gz NEPASYFAGKCLAO-LKFSIGMXSA-N 1 1 463.537 4.010 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cc(F)ccc3Cl)[nH]c(=O)c2C1 ZINC000067291426 569685662 /nfs/dbraw/zinc/68/56/62/569685662.db2.gz DWDRBIFXPJORTQ-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cc(F)ccc3Cl)[nH]c(=O)c2C1 ZINC000067291426 569685663 /nfs/dbraw/zinc/68/56/63/569685663.db2.gz DWDRBIFXPJORTQ-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO COc1ccc(NC(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)c(OC)c1 ZINC000067604485 569688598 /nfs/dbraw/zinc/68/85/98/569688598.db2.gz KJQZQOCMPNTVDH-UHFFFAOYSA-N 1 1 462.554 4.208 50 0 JIAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000067604937 569688716 /nfs/dbraw/zinc/68/87/16/569688716.db2.gz ZFMHSAHIRZXMKC-UHFFFAOYSA-N 1 1 481.000 4.355 50 0 JIAAMO CCCCN1C(=O)C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[C@H]1c1ccc(OC)cc1 ZINC000068710720 569691680 /nfs/dbraw/zinc/69/16/80/569691680.db2.gz UCALTGYVCZYRGD-YIXXDRMTSA-N 1 1 499.602 4.444 50 0 JIAAMO CCCCN1C(=O)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[C@H]1c1ccc(OC)cc1 ZINC000068710726 569691692 /nfs/dbraw/zinc/69/16/92/569691692.db2.gz UCALTGYVCZYRGD-WNCULLNHSA-N 1 1 499.602 4.444 50 0 JIAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH+]1 ZINC000072139204 569699731 /nfs/dbraw/zinc/69/97/31/569699731.db2.gz MKGCERFCWQEVIU-UHFFFAOYSA-N 1 1 468.911 4.412 50 0 JIAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)/C=C\c1ccc(OCc2csc(C)n2)cc1 ZINC000098009195 569749562 /nfs/dbraw/zinc/74/95/62/569749562.db2.gz BXSIMFAFTDQNNK-JGDYFIEFSA-N 1 1 485.650 4.310 50 0 JIAAMO Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)C[C@@H]2CCCO2)cc1 ZINC000036312235 569760071 /nfs/dbraw/zinc/76/00/71/569760071.db2.gz RGZYGETUMQYWFA-DEOSSOPVSA-N 1 1 492.595 4.362 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036342041 569765279 /nfs/dbraw/zinc/76/52/79/569765279.db2.gz MBKFTKNNFPUTFB-HSZRJFAPSA-N 1 1 471.573 4.346 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036342041 569765281 /nfs/dbraw/zinc/76/52/81/569765281.db2.gz MBKFTKNNFPUTFB-HSZRJFAPSA-N 1 1 471.573 4.346 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000036394309 569774805 /nfs/dbraw/zinc/77/48/05/569774805.db2.gz DXNUCWMGAMRILS-OFNKIYASSA-N 1 1 453.539 4.077 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000036394309 569774806 /nfs/dbraw/zinc/77/48/06/569774806.db2.gz DXNUCWMGAMRILS-OFNKIYASSA-N 1 1 453.539 4.077 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343349 569793702 /nfs/dbraw/zinc/79/37/02/569793702.db2.gz VCYCGVRFGVUJDQ-CROMWVBPSA-N 1 1 489.881 4.098 50 0 JIAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C[C@H](C)O1 ZINC000040047013 569814876 /nfs/dbraw/zinc/81/48/76/569814876.db2.gz VRPQNMHDIQJYJB-OKILXGFUSA-N 1 1 458.912 4.162 50 0 JIAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C[C@H](C)O1 ZINC000040047013 569814877 /nfs/dbraw/zinc/81/48/77/569814877.db2.gz VRPQNMHDIQJYJB-OKILXGFUSA-N 1 1 458.912 4.162 50 0 JIAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000040155718 569820866 /nfs/dbraw/zinc/82/08/66/569820866.db2.gz CKEQTJGSBULMPK-HNNXBMFYSA-N 1 1 469.529 4.120 50 0 JIAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000040155718 569820867 /nfs/dbraw/zinc/82/08/67/569820867.db2.gz CKEQTJGSBULMPK-HNNXBMFYSA-N 1 1 469.529 4.120 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cc(OC)ccc1OC)C[C@H]1CCC[N@@H+]12 ZINC000040287622 569823733 /nfs/dbraw/zinc/82/37/33/569823733.db2.gz MEJAFJGVDROWMR-JIZVJVNCSA-N 1 1 469.969 4.042 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cc(OC)ccc1OC)C[C@H]1CCC[N@H+]12 ZINC000040287622 569823734 /nfs/dbraw/zinc/82/37/34/569823734.db2.gz MEJAFJGVDROWMR-JIZVJVNCSA-N 1 1 469.969 4.042 50 0 JIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)[C@H](C)n1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000103704990 569837209 /nfs/dbraw/zinc/83/72/09/569837209.db2.gz HCQWBOBVHDCQMS-QUCCMNQESA-N 1 1 451.615 4.068 50 0 JIAAMO O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104915898 569846946 /nfs/dbraw/zinc/84/69/46/569846946.db2.gz ALJSKGSQXGYHJU-FYYLOGMGSA-N 1 1 461.503 4.234 50 0 JIAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984579 569848571 /nfs/dbraw/zinc/84/85/71/569848571.db2.gz BZLVYKWTJBNSBW-VQTJNVASSA-N 1 1 474.985 4.240 50 0 JIAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984579 569848572 /nfs/dbraw/zinc/84/85/72/569848572.db2.gz BZLVYKWTJBNSBW-VQTJNVASSA-N 1 1 474.985 4.240 50 0 JIAAMO CC(C)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@H](C)O ZINC000105002822 569849265 /nfs/dbraw/zinc/84/92/65/569849265.db2.gz GULHOFFKYJGVCM-LAUBAEHRSA-N 1 1 451.032 4.245 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105008153 569850121 /nfs/dbraw/zinc/85/01/21/569850121.db2.gz OTRHNPDMNFIQNM-WIOPSUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105008153 569850122 /nfs/dbraw/zinc/85/01/22/569850122.db2.gz OTRHNPDMNFIQNM-WIOPSUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012134 569851238 /nfs/dbraw/zinc/85/12/38/569851238.db2.gz DXAQKKGHBTVPCG-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(OC)c2)C1 ZINC000105012134 569851239 /nfs/dbraw/zinc/85/12/39/569851239.db2.gz DXAQKKGHBTVPCG-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC000105061725 569852711 /nfs/dbraw/zinc/85/27/11/569852711.db2.gz LWMHITUXBAWDED-FNZWTVRRSA-N 1 1 477.630 4.360 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000169677607 569868777 /nfs/dbraw/zinc/86/87/77/569868777.db2.gz UTYDTZKIBVFJKN-AZGAKELHSA-N 1 1 463.528 4.475 50 0 JIAAMO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000169681023 569870742 /nfs/dbraw/zinc/87/07/42/569870742.db2.gz MXXCEBUIIUISPG-XZOQPEGZSA-N 1 1 467.031 4.279 50 0 JIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000169681023 569870743 /nfs/dbraw/zinc/87/07/43/569870743.db2.gz MXXCEBUIIUISPG-XZOQPEGZSA-N 1 1 467.031 4.279 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@H](C(=O)Nc1cc(OC)ccc1OC)C[C@@H]1CCC[N@@H+]12 ZINC000227021369 570039618 /nfs/dbraw/zinc/03/96/18/570039618.db2.gz MEJAFJGVDROWMR-GIIVHJRKSA-N 1 1 469.969 4.042 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@H](C(=O)Nc1cc(OC)ccc1OC)C[C@@H]1CCC[N@H+]12 ZINC000227021369 570039620 /nfs/dbraw/zinc/03/96/20/570039620.db2.gz MEJAFJGVDROWMR-GIIVHJRKSA-N 1 1 469.969 4.042 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](C[C@@H](O)COCc1ccc3c(c1)OCO3)CC2 ZINC000229652824 570040752 /nfs/dbraw/zinc/04/07/52/570040752.db2.gz UMLPUBLNBXHPFF-BCHFMIIMSA-N 1 1 483.586 4.019 50 0 JIAAMO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@@H+]4CCCC[C@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000230095859 570044869 /nfs/dbraw/zinc/04/48/69/570044869.db2.gz ZHUBADPNEHLKTL-LJQANCHMSA-N 1 1 497.713 4.403 50 0 JIAAMO COc1ccc2[nH]cc([C@H](O)C[N@H+]3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000239439972 570052600 /nfs/dbraw/zinc/05/26/00/570052600.db2.gz ZZFLEMPMVQJSPH-KAYWLYCHSA-N 1 1 481.552 4.106 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248024699 570072837 /nfs/dbraw/zinc/07/28/37/570072837.db2.gz KTWUIJKHBSQYSS-GOSISDBHSA-N 1 1 486.447 4.441 50 0 JIAAMO Cn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000248099529 570074121 /nfs/dbraw/zinc/07/41/21/570074121.db2.gz ZVMDKGUYDPYCJQ-UHFFFAOYSA-N 1 1 485.554 4.153 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517132 570082989 /nfs/dbraw/zinc/08/29/89/570082989.db2.gz ANFRBLULAUNXFI-ZQDYSYBYSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000252517774 570082999 /nfs/dbraw/zinc/08/29/99/570082999.db2.gz QVQZBZKNTZZNHW-YDSTWLSQSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517774 570083000 /nfs/dbraw/zinc/08/30/00/570083000.db2.gz QVQZBZKNTZZNHW-YDSTWLSQSA-N 1 1 490.774 4.386 50 0 JIAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1C1CCN(Cc2ccccc2)CC1 ZINC000299790764 570177059 /nfs/dbraw/zinc/17/70/59/570177059.db2.gz BRLSUTVLZPZNFE-DHLKQENFSA-N 1 1 477.678 4.287 50 0 JIAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1C1CCN(Cc2ccccc2)CC1 ZINC000299790764 570177060 /nfs/dbraw/zinc/17/70/60/570177060.db2.gz BRLSUTVLZPZNFE-DHLKQENFSA-N 1 1 477.678 4.287 50 0 JIAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000001447651 194122794 /nfs/dbraw/zinc/12/27/94/194122794.db2.gz VYQCYNOIHJMUFZ-UHFFFAOYSA-N 1 1 499.596 4.398 50 0 JIAAMO O=C(NCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000002960566 194181738 /nfs/dbraw/zinc/18/17/38/194181738.db2.gz ZRJGWLOAOYUAJA-JOCHJYFZSA-N 1 1 457.553 4.331 50 0 JIAAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009862980 195002538 /nfs/dbraw/zinc/00/25/38/195002538.db2.gz GWYNJZGAQNMFKX-UHFFFAOYSA-N 1 1 470.060 4.345 50 0 JIAAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009862980 195002541 /nfs/dbraw/zinc/00/25/41/195002541.db2.gz GWYNJZGAQNMFKX-UHFFFAOYSA-N 1 1 470.060 4.345 50 0 JIAAMO COc1ccccc1NC(=O)c1ccc(N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012607746 195052521 /nfs/dbraw/zinc/05/25/21/195052521.db2.gz JYYOVBCNBNIGDE-NRFANRHFSA-N 1 1 472.589 4.092 50 0 JIAAMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000012598881 195044129 /nfs/dbraw/zinc/04/41/29/195044129.db2.gz DDEVCDRFHOKTFL-FNZWTVRRSA-N 1 1 478.662 4.054 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)CCC3)c(OC)c1 ZINC000012629320 195061515 /nfs/dbraw/zinc/06/15/15/195061515.db2.gz TXVAIBWXXBXKQR-OAHLLOKOSA-N 1 1 457.596 4.177 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@@H](C)C2)CCC3)c(OC)c1 ZINC000012629320 195061518 /nfs/dbraw/zinc/06/15/18/195061518.db2.gz TXVAIBWXXBXKQR-OAHLLOKOSA-N 1 1 457.596 4.177 50 0 JIAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)O[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012630638 195062615 /nfs/dbraw/zinc/06/26/15/195062615.db2.gz PWJUQJZEUFVEKX-KRWDZBQOSA-N 1 1 485.943 4.332 50 0 JIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](C3=Cc4cc(Cl)ccc4OC3)[N@H+]3CCC[C@@]23C1=O ZINC000012746828 195103134 /nfs/dbraw/zinc/10/31/34/195103134.db2.gz UAPZMSWKFPKQBF-YBXDKENTSA-N 1 1 450.966 4.390 50 0 JIAAMO CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)o2)cc1 ZINC000012812902 195145328 /nfs/dbraw/zinc/14/53/28/195145328.db2.gz CTXGMXVNAPYSAP-UHFFFAOYSA-N 1 1 472.655 4.278 50 0 JIAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000012867467 195161923 /nfs/dbraw/zinc/16/19/23/195161923.db2.gz BYDRVKFBRWJJTO-LJQANCHMSA-N 1 1 454.924 4.389 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@@H](c2ccco2)[NH+](C)C)C1=O ZINC000020647150 195195250 /nfs/dbraw/zinc/19/52/50/195195250.db2.gz WCFONJJQPYVTGZ-PHJXOXRPSA-N 1 1 465.937 4.362 50 0 JIAAMO COc1cccc(/C=C2/Sc3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3NC2=O)c1 ZINC000020734336 195211814 /nfs/dbraw/zinc/21/18/14/195211814.db2.gz PSWXUBAJAKVGCX-HAFIMRKLSA-N 1 1 451.592 4.385 50 0 JIAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527898 195306310 /nfs/dbraw/zinc/30/63/10/195306310.db2.gz KBVNJAZTLQORHQ-RUZDIDTESA-N 1 1 493.611 4.338 50 0 JIAAMO Cc1nn2c(ncc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c2C)c1-c1ccccc1 ZINC000021914886 195331647 /nfs/dbraw/zinc/33/16/47/195331647.db2.gz ODGBFSOVJLKTTP-UHFFFAOYSA-N 1 1 486.595 4.094 50 0 JIAAMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105465 195364806 /nfs/dbraw/zinc/36/48/06/195364806.db2.gz RCHHEARPTSIKOQ-VWLOTQADSA-N 1 1 461.562 4.012 50 0 JIAAMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105465 195364810 /nfs/dbraw/zinc/36/48/10/195364810.db2.gz RCHHEARPTSIKOQ-VWLOTQADSA-N 1 1 461.562 4.012 50 0 JIAAMO CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882624 518945079 /nfs/dbraw/zinc/94/50/79/518945079.db2.gz DOIDUXSXOYWIGM-HXUWFJFHSA-N 1 1 492.689 4.413 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304056 520090946 /nfs/dbraw/zinc/09/09/46/520090946.db2.gz FQFNWDHCWSFVOB-NRFANRHFSA-N 1 1 475.536 4.097 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304056 520090959 /nfs/dbraw/zinc/09/09/59/520090959.db2.gz FQFNWDHCWSFVOB-NRFANRHFSA-N 1 1 475.536 4.097 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COC(C)(C)C ZINC000036309961 520317173 /nfs/dbraw/zinc/31/71/73/520317173.db2.gz XWJZIMQTDBEEQJ-IRLDBZIGSA-N 1 1 474.667 4.059 50 0 JIAAMO CCOc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCc3cccc(F)c3)C4=O)CC2)cc1 ZINC000012243550 520976347 /nfs/dbraw/zinc/97/63/47/520976347.db2.gz ODILLJKTKCUNQW-UHFFFAOYSA-N 1 1 487.575 4.385 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000036309498 521537174 /nfs/dbraw/zinc/53/71/74/521537174.db2.gz MSJYLCORJXSVBF-QPPBQGQZSA-N 1 1 488.694 4.449 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC ZINC000036306180 522094165 /nfs/dbraw/zinc/09/41/65/522094165.db2.gz NECKLZRDSAEBIE-CTNGQTDRSA-N 1 1 453.583 4.496 50 0 JIAAMO COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305985 522786122 /nfs/dbraw/zinc/78/61/22/522786122.db2.gz QYJBZIZIQZEJTL-OAQYLSRUSA-N 1 1 453.583 4.353 50 0 JIAAMO C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)CN1CCC[C@@H](c3ccccc3)C1)CCO2 ZINC000014968046 522966441 /nfs/dbraw/zinc/96/64/41/522966441.db2.gz SKJJLIHOAVHWOD-HHHXNRCGSA-N 1 1 498.671 4.357 50 0 JIAAMO C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)CN1CCC[C@@H](c3ccccc3)C1)CCO2 ZINC000014968046 522966449 /nfs/dbraw/zinc/96/64/49/522966449.db2.gz SKJJLIHOAVHWOD-HHHXNRCGSA-N 1 1 498.671 4.357 50 0 JIAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3c2=O)cc1 ZINC000020508776 523326740 /nfs/dbraw/zinc/32/67/40/523326740.db2.gz WSQZIIBODRMVSR-UHFFFAOYSA-N 1 1 455.558 4.251 50 0 JIAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1 ZINC000008897254 523379867 /nfs/dbraw/zinc/37/98/67/523379867.db2.gz GTGVFRNYWVQWLK-UHFFFAOYSA-N 1 1 484.666 4.286 50 0 JIAAMO CC[C@@H]1C[N@@H+](CCC(=O)NCc2csc(Cc3ccccc3)n2)Cc2cc(OC)ccc2O1 ZINC000012328648 523439944 /nfs/dbraw/zinc/43/99/44/523439944.db2.gz SBLGBVZTDISGFH-JOCHJYFZSA-N 1 1 465.619 4.422 50 0 JIAAMO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014752493 523611204 /nfs/dbraw/zinc/61/12/04/523611204.db2.gz GTDSUHHCPZBTDU-FQEVSTJZSA-N 1 1 468.985 4.174 50 0 JIAAMO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014752493 523611216 /nfs/dbraw/zinc/61/12/16/523611216.db2.gz GTDSUHHCPZBTDU-FQEVSTJZSA-N 1 1 468.985 4.174 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036306920 523735941 /nfs/dbraw/zinc/73/59/41/523735941.db2.gz AGLJKSJNWBYSEX-QFIPXVFZSA-N 1 1 471.573 4.253 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COC ZINC000036303524 523736763 /nfs/dbraw/zinc/73/67/63/523736763.db2.gz QXWMQQPWBNNWDD-HXUWFJFHSA-N 1 1 459.974 4.082 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COC ZINC000036303524 523736770 /nfs/dbraw/zinc/73/67/70/523736770.db2.gz QXWMQQPWBNNWDD-HXUWFJFHSA-N 1 1 459.974 4.082 50 0 JIAAMO CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456603 523976824 /nfs/dbraw/zinc/97/68/24/523976824.db2.gz XCRMBZBAQRRWHB-SFHVURJKSA-N 1 1 498.549 4.402 50 0 JIAAMO CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456603 523976828 /nfs/dbraw/zinc/97/68/28/523976828.db2.gz XCRMBZBAQRRWHB-SFHVURJKSA-N 1 1 498.549 4.402 50 0 JIAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)CC2 ZINC000014733747 524032239 /nfs/dbraw/zinc/03/22/39/524032239.db2.gz IMVVMEVNQORJMA-NRFANRHFSA-N 1 1 464.997 4.039 50 0 JIAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@H+]1CCOc3ccc(Cl)cc3C1)CC2 ZINC000014733747 524032240 /nfs/dbraw/zinc/03/22/40/524032240.db2.gz IMVVMEVNQORJMA-NRFANRHFSA-N 1 1 464.997 4.039 50 0 JIAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](CCc3ccccc3)C2)cc1 ZINC000014742034 524064757 /nfs/dbraw/zinc/06/47/57/524064757.db2.gz HZVIPSBSKXNVLO-BJKOFHAPSA-N 1 1 489.591 4.270 50 0 JIAAMO COc1ccc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)c(OC)c1OC ZINC000014970650 524105972 /nfs/dbraw/zinc/10/59/72/524105972.db2.gz FKRNANDFBPIAPC-KRWDZBQOSA-N 1 1 471.627 4.295 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021863327 524106567 /nfs/dbraw/zinc/10/65/67/524106567.db2.gz HWKOGSBLMOVRER-HRFSGMKKSA-N 1 1 466.626 4.286 50 0 JIAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)C)nc(=O)c12 ZINC000036206593 524276982 /nfs/dbraw/zinc/27/69/82/524276982.db2.gz VEPULTYLPYJJQP-GOSISDBHSA-N 1 1 473.639 4.294 50 0 JIAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CCC(C)C)C[C@@H](O)COC(C)C)nc(=O)c12 ZINC000036206593 524276988 /nfs/dbraw/zinc/27/69/88/524276988.db2.gz VEPULTYLPYJJQP-GOSISDBHSA-N 1 1 473.639 4.294 50 0 JIAAMO C[C@H](CNC(=O)Cc1ccc(N2CCNC2=O)cc1)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000014884206 524389658 /nfs/dbraw/zinc/38/96/58/524389658.db2.gz AWYLGYIBRYBEFL-HXUWFJFHSA-N 1 1 492.645 4.036 50 0 JIAAMO Cc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000016474758 524521252 /nfs/dbraw/zinc/52/12/52/524521252.db2.gz UWGVWTPCOJFQBP-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 JIAAMO COc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456520 524605261 /nfs/dbraw/zinc/60/52/61/524605261.db2.gz WCNTZQPTUMATKD-UHFFFAOYSA-N 1 1 498.558 4.255 50 0 JIAAMO COc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456520 524605270 /nfs/dbraw/zinc/60/52/70/524605270.db2.gz WCNTZQPTUMATKD-UHFFFAOYSA-N 1 1 498.558 4.255 50 0 JIAAMO COc1ccccc1Oc1c(C[N@H+](C[C@@H](C)O)C[C@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000036302245 524695869 /nfs/dbraw/zinc/69/58/69/524695869.db2.gz HCRMTLFSRKKSKQ-DENIHFKCSA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](C)O)C[C@H]2CCCO2)c(C)nn1-c1ccccc1 ZINC000036302245 524695878 /nfs/dbraw/zinc/69/58/78/524695878.db2.gz HCRMTLFSRKKSKQ-DENIHFKCSA-N 1 1 451.567 4.343 50 0 JIAAMO Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000020467742 524745603 /nfs/dbraw/zinc/74/56/03/524745603.db2.gz JMGIEDVOXYSIST-UHFFFAOYSA-N 1 1 454.983 4.433 50 0 JIAAMO Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2 ZINC000020467742 524745611 /nfs/dbraw/zinc/74/56/11/524745611.db2.gz JMGIEDVOXYSIST-UHFFFAOYSA-N 1 1 454.983 4.433 50 0 JIAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014994601 525120061 /nfs/dbraw/zinc/12/00/61/525120061.db2.gz TZESDQUYTRUWSW-JOCHJYFZSA-N 1 1 481.600 4.260 50 0 JIAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c4ncccc4nc3-c3ccncc3)CC2)c(Cl)c1 ZINC000033139775 525131838 /nfs/dbraw/zinc/13/18/38/525131838.db2.gz PQHONGDMYIFCKY-UHFFFAOYSA-N 1 1 475.984 4.305 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000021862281 525383224 /nfs/dbraw/zinc/38/32/24/525383224.db2.gz HSNBAEHROYSCRL-KERYWQKISA-N 1 1 493.696 4.458 50 0 JIAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCN(C)CC1)c2Sc1ccc(C)cc1 ZINC000020466821 525597483 /nfs/dbraw/zinc/59/74/83/525597483.db2.gz YQCUMHBIEXSGKM-UHFFFAOYSA-N 1 1 452.624 4.003 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146484 525923496 /nfs/dbraw/zinc/92/34/96/525923496.db2.gz CSTUNECKNNEGFV-BDYUSTAISA-N 1 1 460.574 4.268 50 0 JIAAMO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146624 526287621 /nfs/dbraw/zinc/28/76/21/526287621.db2.gz YFQMTLMAFDFKPY-UNMCSNQZSA-N 1 1 498.963 4.235 50 0 JIAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146624 526287627 /nfs/dbraw/zinc/28/76/27/526287627.db2.gz YFQMTLMAFDFKPY-UNMCSNQZSA-N 1 1 498.963 4.235 50 0 JIAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1noc2ccccc21 ZINC000033287868 526380221 /nfs/dbraw/zinc/38/02/21/526380221.db2.gz PVGDLKBYQIDXHT-UHFFFAOYSA-N 1 1 468.557 4.480 50 0 JIAAMO O=C([C@H]1CCCN(c2nc3ccccc3n3cccc23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020489963 526539333 /nfs/dbraw/zinc/53/93/33/526539333.db2.gz XWKYCCKIJZQUJD-QHCPKHFHSA-N 1 1 453.590 4.048 50 0 JIAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036091433 526731230 /nfs/dbraw/zinc/73/12/30/526731230.db2.gz HVFPVNVZGVJZOV-KEGLGMRESA-N 1 1 466.047 4.036 50 0 JIAAMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000022807734 526744173 /nfs/dbraw/zinc/74/41/73/526744173.db2.gz OCDUFVKBMAPLSZ-QFIPXVFZSA-N 1 1 466.582 4.366 50 0 JIAAMO O=C(COc1ccc(N2CCCC2=O)cc1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000089788177 526963181 /nfs/dbraw/zinc/96/31/81/526963181.db2.gz RVNZHJUQQSZUDQ-UHFFFAOYSA-N 1 1 476.404 4.280 50 0 JIAAMO O=c1[nH]c(C[N@H+](C[C@@H](O)COCc2ccco2)C2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000036157035 527436406 /nfs/dbraw/zinc/43/64/06/527436406.db2.gz KVXCCEHIJZNOSQ-GOSISDBHSA-N 1 1 471.623 4.169 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000008611542 527667825 /nfs/dbraw/zinc/66/78/25/527667825.db2.gz LBNFZWLMFOARGW-UHFFFAOYSA-N 1 1 472.564 4.500 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000008594186 527668000 /nfs/dbraw/zinc/66/80/00/527668000.db2.gz NYNFUIZMXHLOQL-UHFFFAOYSA-N 1 1 492.382 4.048 50 0 JIAAMO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc(CC(C)C)n[nH]2)CC1 ZINC000020451881 527691872 /nfs/dbraw/zinc/69/18/72/527691872.db2.gz VVABUKGRVQZMBH-MHZLTWQESA-N 1 1 494.659 4.385 50 0 JIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc(CC(C)C)[nH]n2)CC1 ZINC000020451881 527691874 /nfs/dbraw/zinc/69/18/74/527691874.db2.gz VVABUKGRVQZMBH-MHZLTWQESA-N 1 1 494.659 4.385 50 0 JIAAMO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc(CC(C)C)[nH]n2)CC1 ZINC000020451881 527691876 /nfs/dbraw/zinc/69/18/76/527691876.db2.gz VVABUKGRVQZMBH-MHZLTWQESA-N 1 1 494.659 4.385 50 0 JIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000002219397 554099841 /nfs/dbraw/zinc/09/98/41/554099841.db2.gz FAGDSBOVRYGMMT-QFIPXVFZSA-N 1 1 481.549 4.347 50 0 JIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000002219397 554099842 /nfs/dbraw/zinc/09/98/42/554099842.db2.gz FAGDSBOVRYGMMT-QFIPXVFZSA-N 1 1 481.549 4.347 50 0 JIAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2O)cc1 ZINC000008791873 554685101 /nfs/dbraw/zinc/68/51/01/554685101.db2.gz NSBJRYSKLKEOEM-CTNGQTDRSA-N 1 1 498.583 4.118 50 0 biogenic JIAAMO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)cc1OC ZINC000009361386 555123979 /nfs/dbraw/zinc/12/39/79/555123979.db2.gz SWMIMTLHAASJIS-RUZDIDTESA-N 1 1 479.665 4.081 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN1c2ccccc2Sc2ncccc2C1=O ZINC000009687859 555415518 /nfs/dbraw/zinc/41/55/18/555415518.db2.gz XQPGLYMKOBVUGI-IBGZPJMESA-N 1 1 452.624 4.354 50 0 JIAAMO O[C@H](COc1ccc2cc(Br)ccc2c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019831833 555505384 /nfs/dbraw/zinc/50/53/84/555505384.db2.gz OIMFMRRATPQUES-QFIPXVFZSA-N 1 1 459.359 4.303 50 0 JIAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)C3)sc2c1 ZINC000009848145 555550281 /nfs/dbraw/zinc/55/02/81/555550281.db2.gz TVZBEROPVBIUNE-HSALFYBXSA-N 1 1 458.672 4.396 50 0 JIAAMO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020027017 555603410 /nfs/dbraw/zinc/60/34/10/555603410.db2.gz IDQGIAKHENYTHX-UHFFFAOYSA-N 1 1 475.614 4.282 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116163 555653535 /nfs/dbraw/zinc/65/35/35/555653535.db2.gz LYPQJCJALBTQDU-BTUURDQESA-N 1 1 451.655 4.073 50 0 JIAAMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020153783 555673418 /nfs/dbraw/zinc/67/34/18/555673418.db2.gz BSCBMBWIWCBRKN-JOCHJYFZSA-N 1 1 468.715 4.236 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020153783 555673419 /nfs/dbraw/zinc/67/34/19/555673419.db2.gz BSCBMBWIWCBRKN-JOCHJYFZSA-N 1 1 468.715 4.236 50 0 JIAAMO CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc3c(c2c1=O)CC[N@H+](C)C3 ZINC000020265607 555747648 /nfs/dbraw/zinc/74/76/48/555747648.db2.gz MELHSFAQSDCGNR-UHFFFAOYSA-N 1 1 464.616 4.350 50 0 JIAAMO CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc3c(c2c1=O)CC[N@@H+](C)C3 ZINC000020265607 555747652 /nfs/dbraw/zinc/74/76/52/555747652.db2.gz MELHSFAQSDCGNR-UHFFFAOYSA-N 1 1 464.616 4.350 50 0 JIAAMO C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288384 555757726 /nfs/dbraw/zinc/75/77/26/555757726.db2.gz HPMSDHSJRLGHSD-YADARESESA-N 1 1 497.064 4.086 50 0 JIAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)ccc1OCc1ccccc1 ZINC000011782504 555813049 /nfs/dbraw/zinc/81/30/49/555813049.db2.gz GCXVDLZKQOWYIE-XMMPIXPASA-N 1 1 491.636 4.147 50 0 JIAAMO CCOc1ccc2nc(N3CCC[N@@H+](Cc4ccc(OC)c(OC)c4OC)CC3)nc(C)c2c1 ZINC000011787804 555821877 /nfs/dbraw/zinc/82/18/77/555821877.db2.gz TXPQLUCCILZDRN-UHFFFAOYSA-N 1 1 466.582 4.075 50 0 JIAAMO COc1cc(CN2C(=O)CC[C@@H]3C[N@H+](Cc4ccc(SC)cc4)CC[C@@H]32)cc(OC)c1OC ZINC000011787819 555821934 /nfs/dbraw/zinc/82/19/34/555821934.db2.gz PFVMQQDQIVQMDG-IRLDBZIGSA-N 1 1 470.635 4.447 50 0 JIAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000014536096 555825055 /nfs/dbraw/zinc/82/50/55/555825055.db2.gz RBDKWJYUCADKTE-DEOSSOPVSA-N 1 1 477.697 4.030 50 0 JIAAMO Cc1coc2c1cc1c(C)c(CCC(=O)N3CC[NH+](CCc4ccccn4)CC3)c(=O)oc1c2C ZINC000020592324 555838645 /nfs/dbraw/zinc/83/86/45/555838645.db2.gz YAVUWNXWPKRDGN-UHFFFAOYSA-N 1 1 473.573 4.179 50 0 JIAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc4c(c2)CCO4)CC3)c1 ZINC000015008663 555852530 /nfs/dbraw/zinc/85/25/30/555852530.db2.gz IAXXHIIFXCHZGW-RUZDIDTESA-N 1 1 487.648 4.405 50 0 JIAAMO O=S1(=O)CC[C@@H]([NH2+]Cc2cc3cc4c(cc3nc2OCc2ccccc2Cl)CCC4)C1 ZINC000015070215 555869775 /nfs/dbraw/zinc/86/97/75/555869775.db2.gz ZUGSPWYHCUQYPS-OAQYLSRUSA-N 1 1 456.995 4.233 50 0 JIAAMO O=C1C[C@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000015307054 555895519 /nfs/dbraw/zinc/89/55/19/555895519.db2.gz IXLIHQAFPPBBBA-VWLOTQADSA-N 1 1 458.533 4.106 50 0 JIAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000015681422 555950274 /nfs/dbraw/zinc/95/02/74/555950274.db2.gz KEJGCLARKBQJCB-UHFFFAOYSA-N 1 1 496.659 4.449 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4Cl)C3)n2)cc1OC ZINC000015726051 555962980 /nfs/dbraw/zinc/96/29/80/555962980.db2.gz OTZJFZTUNFOUPP-HNNXBMFYSA-N 1 1 474.920 4.397 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4Cl)C3)n2)cc1OC ZINC000015726051 555962981 /nfs/dbraw/zinc/96/29/81/555962981.db2.gz OTZJFZTUNFOUPP-HNNXBMFYSA-N 1 1 474.920 4.397 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)n2)cc1OC ZINC000015726280 555964434 /nfs/dbraw/zinc/96/44/34/555964434.db2.gz UBRPBUDZIRJFPP-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)n2)cc1OC ZINC000015726280 555964439 /nfs/dbraw/zinc/96/44/39/555964439.db2.gz UBRPBUDZIRJFPP-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000015727594 555966715 /nfs/dbraw/zinc/96/67/15/555966715.db2.gz AKXYVUXAQRWHSG-UHFFFAOYSA-N 1 1 451.571 4.289 50 0 JIAAMO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(Br)cc1F ZINC000022931146 555984202 /nfs/dbraw/zinc/98/42/02/555984202.db2.gz HPZNOXKZWCBLNK-UHFFFAOYSA-N 1 1 460.800 4.450 50 0 JIAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022936544 555989458 /nfs/dbraw/zinc/98/94/58/555989458.db2.gz BUDSBJZHTGSSBN-UHFFFAOYSA-N 1 1 496.659 4.218 50 0 JIAAMO Cc1ccc(Cn2c(SCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc3ccccc3c2=O)cc1 ZINC000023042816 556001654 /nfs/dbraw/zinc/00/16/54/556001654.db2.gz PRFBMDYIZHMQKF-XMMPIXPASA-N 1 1 498.652 4.236 50 0 JIAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1)OCCCO4 ZINC000012548240 556025818 /nfs/dbraw/zinc/02/58/18/556025818.db2.gz KGHPPGDQENCQCQ-HSZRJFAPSA-N 1 1 459.481 4.012 50 0 JIAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)CC1 ZINC000023175104 556026876 /nfs/dbraw/zinc/02/68/76/556026876.db2.gz HLARJPPAPYIBNO-PZJWPPBQSA-N 1 1 497.690 4.183 50 0 JIAAMO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CC[NH+](C/C=C/c3ccccc3)CC1)C2=O ZINC000023257669 556036329 /nfs/dbraw/zinc/03/63/29/556036329.db2.gz VANZREMFJHBORB-DHZHZOJOSA-N 1 1 452.643 4.192 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012569641 556072740 /nfs/dbraw/zinc/07/27/40/556072740.db2.gz CYYXOHRNXURYHK-DEOSSOPVSA-N 1 1 467.566 4.149 50 0 JIAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015974714 556097554 /nfs/dbraw/zinc/09/75/54/556097554.db2.gz WUFMLVSCWUWIQP-KEZOAJOQSA-N 1 1 469.928 4.494 50 0 JIAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015974714 556097556 /nfs/dbraw/zinc/09/75/56/556097556.db2.gz WUFMLVSCWUWIQP-KEZOAJOQSA-N 1 1 469.928 4.494 50 0 JIAAMO CCc1oc2ccccc2c1C[N@H+](C)Cn1c(C[C@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000023982519 556110079 /nfs/dbraw/zinc/11/00/79/556110079.db2.gz XMWWUGVDWDIRBN-GOSISDBHSA-N 1 1 451.592 4.412 50 0 JIAAMO CCc1oc2ccccc2c1C[N@@H+](C)Cn1c(C[C@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000023982519 556110080 /nfs/dbraw/zinc/11/00/80/556110080.db2.gz XMWWUGVDWDIRBN-GOSISDBHSA-N 1 1 451.592 4.412 50 0 JIAAMO COC(=O)c1sc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)c(C(=O)OC)c1C ZINC000012918264 556137083 /nfs/dbraw/zinc/13/70/83/556137083.db2.gz GMJVSMLLJJCGRM-GOSISDBHSA-N 1 1 458.561 4.009 50 0 JIAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2cccs2)cc1 ZINC000012920806 556139324 /nfs/dbraw/zinc/13/93/24/556139324.db2.gz PEZOMQQOILXIKJ-DEOSSOPVSA-N 1 1 469.632 4.159 50 0 JIAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025036536 556172851 /nfs/dbraw/zinc/17/28/51/556172851.db2.gz KHDURPIDZNJOFO-GFCCVEGCSA-N 1 1 455.971 4.326 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000016993380 556197670 /nfs/dbraw/zinc/19/76/70/556197670.db2.gz ONXBPLCUCDXNKB-VWLOTQADSA-N 1 1 467.997 4.074 50 0 JIAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)CC2)cc1 ZINC000027915765 556310256 /nfs/dbraw/zinc/31/02/56/556310256.db2.gz PGSNYLSSMGDHIV-UHFFFAOYSA-N 1 1 452.558 4.042 50 0 JIAAMO O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000019316771 556340482 /nfs/dbraw/zinc/34/04/82/556340482.db2.gz JFMMPLDCYDMRED-UHFFFAOYSA-N 1 1 487.670 4.287 50 0 JIAAMO CC[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2Br)CC1 ZINC000019683987 556360325 /nfs/dbraw/zinc/36/03/25/556360325.db2.gz OMTNOGWSSHLICJ-UHFFFAOYSA-N 1 1 458.809 4.045 50 0 JIAAMO CCOCC[NH+]1CCN(Cc2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000019802462 556378769 /nfs/dbraw/zinc/37/87/69/556378769.db2.gz MSFRECALBQDBDR-UHFFFAOYSA-N 1 1 499.446 4.079 50 0 JIAAMO COc1cc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c(OC)cc1Cl ZINC000030955463 556389949 /nfs/dbraw/zinc/38/99/49/556389949.db2.gz ZWOCMQOJFWWFPT-UHFFFAOYSA-N 1 1 456.930 4.258 50 0 JIAAMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000031824917 556408316 /nfs/dbraw/zinc/40/83/16/556408316.db2.gz MUYOJFRMTVYTQS-UHFFFAOYSA-N 1 1 483.591 4.290 50 0 JIAAMO Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCCC[N@@H+](C)Cc3ccccc3)c2cc1C ZINC000032945081 556559747 /nfs/dbraw/zinc/55/97/47/556559747.db2.gz XKLVMFDBLOEWSP-GOSISDBHSA-N 1 1 474.527 4.231 50 0 JIAAMO CC(C)[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C2CC2)CC1 ZINC000055042422 569590474 /nfs/dbraw/zinc/59/04/74/569590474.db2.gz DZIXVDAGZALELN-UHFFFAOYSA-N 1 1 456.550 4.119 50 0 JIAAMO O=C([C@@H]1C[C@H](n2cnnn2)C[N@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1)N1CCCCCC1 ZINC000055119442 569590942 /nfs/dbraw/zinc/59/09/42/569590942.db2.gz RZTXSKGSZXNHRI-URXFXBBRSA-N 1 1 481.000 4.337 50 0 JIAAMO O=C([C@@H]1C[C@H](n2cnnn2)C[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1)N1CCCCCC1 ZINC000055119442 569590943 /nfs/dbraw/zinc/59/09/43/569590943.db2.gz RZTXSKGSZXNHRI-URXFXBBRSA-N 1 1 481.000 4.337 50 0 JIAAMO CCc1c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000055358698 569591655 /nfs/dbraw/zinc/59/16/55/569591655.db2.gz IIDLVRPKMHYBGB-SANMLTNESA-N 1 1 499.655 4.091 50 0 JIAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415486 569600899 /nfs/dbraw/zinc/60/08/99/569600899.db2.gz NARYDIAMBTVUAV-SANMLTNESA-N 1 1 477.605 4.211 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415486 569600901 /nfs/dbraw/zinc/60/09/01/569600901.db2.gz NARYDIAMBTVUAV-SANMLTNESA-N 1 1 477.605 4.211 50 0 JIAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064802157 569631775 /nfs/dbraw/zinc/63/17/75/569631775.db2.gz VOGBGZRUTJYLLR-UHFFFAOYSA-N 1 1 467.595 4.091 50 0 JIAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc1 ZINC000034681702 569643443 /nfs/dbraw/zinc/64/34/43/569643443.db2.gz TVJVCBYCPSNHSZ-UHFFFAOYSA-N 1 1 480.996 4.473 50 0 JIAAMO COc1cc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)ccc1O ZINC000034683900 569644778 /nfs/dbraw/zinc/64/47/78/569644778.db2.gz KTMIPQCXZDPWBM-UHFFFAOYSA-N 1 1 470.566 4.400 50 0 JIAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787668 569659696 /nfs/dbraw/zinc/65/96/96/569659696.db2.gz JPVBMQSHANJFKB-HHHXNRCGSA-N 1 1 473.642 4.297 50 0 JIAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787668 569659698 /nfs/dbraw/zinc/65/96/98/569659698.db2.gz JPVBMQSHANJFKB-HHHXNRCGSA-N 1 1 473.642 4.297 50 0 JIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000034830481 569663869 /nfs/dbraw/zinc/66/38/69/569663869.db2.gz AQKKMOKKNIHCLH-AREMUKBSSA-N 1 1 495.595 4.349 50 0 JIAAMO COc1cc(NC(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc(OC)c1 ZINC000065363383 569675133 /nfs/dbraw/zinc/67/51/33/569675133.db2.gz RQSZGTOFQNSOQN-UHFFFAOYSA-N 1 1 462.554 4.208 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000065614944 569676276 /nfs/dbraw/zinc/67/62/76/569676276.db2.gz PFASDOJHLDFLIH-JOCHJYFZSA-N 1 1 458.002 4.110 50 0 JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067285936 569683419 /nfs/dbraw/zinc/68/34/19/569683419.db2.gz DDLYELYWRJSSGN-XMMPIXPASA-N 1 1 469.532 4.091 50 0 JIAAMO CCCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NCc2cn3cc(C)sc3n2)c(=O)[nH]1 ZINC000067833760 569691058 /nfs/dbraw/zinc/69/10/58/569691058.db2.gz HIQYNOATCXGMIA-UHFFFAOYSA-N 1 1 463.607 4.125 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccccc5F)CC4)CC3)cn2)cc1C ZINC000035403522 569691278 /nfs/dbraw/zinc/69/12/78/569691278.db2.gz HKASZWJKVUTZCN-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccccc5F)CC4)CC3)cn2)cc1C ZINC000035403522 569691279 /nfs/dbraw/zinc/69/12/79/569691279.db2.gz HKASZWJKVUTZCN-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO Cn1ccnc1C[N@H+]1C[C@H](C(=O)NC2CCCCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000072158698 569699904 /nfs/dbraw/zinc/69/99/04/569699904.db2.gz HQYYZAYTWKXZDE-RBUKOAKNSA-N 1 1 478.559 4.405 50 0 JIAAMO Cn1ccnc1C[N@@H+]1C[C@H](C(=O)NC2CCCCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000072158698 569699906 /nfs/dbraw/zinc/69/99/06/569699906.db2.gz HQYYZAYTWKXZDE-RBUKOAKNSA-N 1 1 478.559 4.405 50 0 JIAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072446882 569704233 /nfs/dbraw/zinc/70/42/33/569704233.db2.gz JQDHAHJBYYONKP-UHFFFAOYSA-N 1 1 454.884 4.103 50 0 JIAAMO COc1ccccc1Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079190518 569707217 /nfs/dbraw/zinc/70/72/17/569707217.db2.gz XBXSCSYBOVTDTK-NBGIEHNGSA-N 1 1 459.590 4.053 50 0 biogenic JIAAMO CCCCN(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)c1cnc(C)cn1 ZINC000035819157 569712651 /nfs/dbraw/zinc/71/26/51/569712651.db2.gz MWDZWVPOLWAZIB-UHFFFAOYSA-N 1 1 499.659 4.351 50 0 JIAAMO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871396 569718649 /nfs/dbraw/zinc/71/86/49/569718649.db2.gz XOVIIFHZYVUAEM-TZIWHRDSSA-N 1 1 451.920 4.358 50 0 JIAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000089827644 569720008 /nfs/dbraw/zinc/72/00/08/569720008.db2.gz NVZZAUQLBJDMQP-UHFFFAOYSA-N 1 1 484.021 4.442 50 0 JIAAMO Cc1nnc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000095538761 569726272 /nfs/dbraw/zinc/72/62/72/569726272.db2.gz JFPDOEHOMGPLAS-UHFFFAOYSA-N 1 1 475.540 4.274 50 0 JIAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)CN3c4cccnc4Oc4ccccc4C3=O)ccc21 ZINC000095549721 569727408 /nfs/dbraw/zinc/72/74/08/569727408.db2.gz GOOIKXFQWHWFKE-UHFFFAOYSA-N 1 1 496.571 4.345 50 0 JIAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cccc(OC)c3)CC2)n1 ZINC000035925691 569728966 /nfs/dbraw/zinc/72/89/66/569728966.db2.gz TXDHOWJQTJMECJ-UHFFFAOYSA-N 1 1 456.594 4.489 50 0 JIAAMO CCn1c(SCc2ccccc2C(=O)N2CC[NH+](CC)CC2)nnc1-c1cccc(OC)c1 ZINC000095925488 569730164 /nfs/dbraw/zinc/73/01/64/569730164.db2.gz WBSGGGHZBBABJR-UHFFFAOYSA-N 1 1 465.623 4.044 50 0 JIAAMO CCC[C@H](O)C[N@H+](C)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927991 569730639 /nfs/dbraw/zinc/73/06/39/569730639.db2.gz AJIWYQVAWAHOGM-DEOSSOPVSA-N 1 1 450.602 4.471 50 0 JIAAMO CCC[C@H](O)C[N@@H+](C)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927991 569730640 /nfs/dbraw/zinc/73/06/40/569730640.db2.gz AJIWYQVAWAHOGM-DEOSSOPVSA-N 1 1 450.602 4.471 50 0 JIAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043228 569754698 /nfs/dbraw/zinc/75/46/98/569754698.db2.gz AUPRXLSCIZFGGY-OSPHWJPCSA-N 1 1 455.599 4.298 50 0 JIAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)NC(C)(C)C)c1 ZINC000036043228 569754699 /nfs/dbraw/zinc/75/46/99/569754699.db2.gz AUPRXLSCIZFGGY-OSPHWJPCSA-N 1 1 455.599 4.298 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C[C@H](O)COC(C)C ZINC000036249921 569758114 /nfs/dbraw/zinc/75/81/14/569758114.db2.gz SYPFLVSWYDGBNS-QHCPKHFHSA-N 1 1 459.631 4.345 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000036301505 569759003 /nfs/dbraw/zinc/75/90/03/569759003.db2.gz TUECKKRTUKOFLM-HSZRJFAPSA-N 1 1 467.610 4.361 50 0 JIAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccco1 ZINC000036313019 569760554 /nfs/dbraw/zinc/76/05/54/569760554.db2.gz PFFVENASIJFOTF-HSZRJFAPSA-N 1 1 483.609 4.341 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036315992 569761928 /nfs/dbraw/zinc/76/19/28/569761928.db2.gz LMVLTACCYWKHEB-QHCPKHFHSA-N 1 1 467.610 4.422 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)C1 ZINC000036341614 569764646 /nfs/dbraw/zinc/76/46/46/569764646.db2.gz NUAYVPWKJQMUIY-CVDCTZTESA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)C1 ZINC000036341614 569764647 /nfs/dbraw/zinc/76/46/47/569764647.db2.gz NUAYVPWKJQMUIY-CVDCTZTESA-N 1 1 453.970 4.293 50 0 JIAAMO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000036344478 569767124 /nfs/dbraw/zinc/76/71/24/569767124.db2.gz XCEFPTRFJDLEIP-JPYJTQIMSA-N 1 1 451.567 4.265 50 0 JIAAMO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000036344479 569767151 /nfs/dbraw/zinc/76/71/51/569767151.db2.gz XCEFPTRFJDLEIP-MBSDFSHPSA-N 1 1 451.567 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345669 569768039 /nfs/dbraw/zinc/76/80/39/569768039.db2.gz DXAQKKGHBTVPCG-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(OC)c2)C1 ZINC000036345669 569768040 /nfs/dbraw/zinc/76/80/40/569768040.db2.gz DXAQKKGHBTVPCG-GJZUVCINSA-N 1 1 477.605 4.265 50 0 JIAAMO CC[C@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037383126 569785393 /nfs/dbraw/zinc/78/53/93/569785393.db2.gz ZALPRMJCPUBDJZ-NRFANRHFSA-N 1 1 493.627 4.269 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(Cl)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000101798669 569805213 /nfs/dbraw/zinc/80/52/13/569805213.db2.gz TZGIZGJJPFLLLA-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(Cl)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798669 569805215 /nfs/dbraw/zinc/80/52/15/569805215.db2.gz TZGIZGJJPFLLLA-UHFFFAOYSA-N 1 1 468.960 4.356 50 0 JIAAMO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)c2)cc1 ZINC000040112667 569816321 /nfs/dbraw/zinc/81/63/21/569816321.db2.gz QCMIMFPXCXYWLJ-FQEVSTJZSA-N 1 1 473.639 4.271 50 0 JIAAMO CC[C@H](C)[N@@H+](CCNC(=O)[C@H](C)n1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000103704987 569837241 /nfs/dbraw/zinc/83/72/41/569837241.db2.gz HCQWBOBVHDCQMS-ICSRJNTNSA-N 1 1 451.615 4.068 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000103903198 569838939 /nfs/dbraw/zinc/83/89/39/569838939.db2.gz LWMXCQOFZGXXDH-NFBKMPQASA-N 1 1 452.643 4.427 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COCC(C)C)C2CC2)c1 ZINC000105002756 569849119 /nfs/dbraw/zinc/84/91/19/569849119.db2.gz IQXRCXMWGRDDHO-RDGATRHJSA-N 1 1 486.678 4.059 50 0 JIAAMO C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000105868451 569853533 /nfs/dbraw/zinc/85/35/33/569853533.db2.gz YFVNZYNFFOSIJQ-ZWKOTPCHSA-N 1 1 459.034 4.300 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000106018858 569853692 /nfs/dbraw/zinc/85/36/92/569853692.db2.gz KPDRMPVLXMQCKG-LCRZVWJLSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000106018858 569853693 /nfs/dbraw/zinc/85/36/93/569853693.db2.gz KPDRMPVLXMQCKG-LCRZVWJLSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000109041997 569860449 /nfs/dbraw/zinc/86/04/49/569860449.db2.gz OZXFILOLKOWSRY-RBBKRZOGSA-N 1 1 497.636 4.138 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000109041997 569860450 /nfs/dbraw/zinc/86/04/50/569860450.db2.gz OZXFILOLKOWSRY-RBBKRZOGSA-N 1 1 497.636 4.138 50 0 JIAAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169679276 569869635 /nfs/dbraw/zinc/86/96/35/569869635.db2.gz RHMBWQDSBGBJGS-RSXGOPAZSA-N 1 1 494.561 4.322 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679681 569869920 /nfs/dbraw/zinc/86/99/20/569869920.db2.gz QASOYFUTMROAOS-CYFREDJKSA-N 1 1 468.667 4.045 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679681 569869921 /nfs/dbraw/zinc/86/99/21/569869921.db2.gz QASOYFUTMROAOS-CYFREDJKSA-N 1 1 468.667 4.045 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000169681940 569870932 /nfs/dbraw/zinc/87/09/32/569870932.db2.gz QLIWHDWHGHXULO-RPLLCQBOSA-N 1 1 477.555 4.153 50 0 JIAAMO O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12)N1CCOCC1 ZINC000230129639 570045373 /nfs/dbraw/zinc/04/53/73/570045373.db2.gz WDFKFJPXMZHUFO-FYYLOGMGSA-N 1 1 493.957 4.081 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129892 570045481 /nfs/dbraw/zinc/04/54/81/570045481.db2.gz PIRNAYKFZJVPPX-BDYUSTAISA-N 1 1 477.555 4.153 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000230129905 570045498 /nfs/dbraw/zinc/04/54/98/570045498.db2.gz QLIWHDWHGHXULO-IGKIAQTJSA-N 1 1 477.555 4.153 50 0 JIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000245281409 570062226 /nfs/dbraw/zinc/06/22/26/570062226.db2.gz YMUBPHOVVWBRNV-REWPJTCUSA-N 1 1 482.518 4.182 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245310310 570063256 /nfs/dbraw/zinc/06/32/56/570063256.db2.gz ICVOBUZHHHQLHR-JSXRDJHFSA-N 1 1 492.597 4.282 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245310310 570063257 /nfs/dbraw/zinc/06/32/57/570063257.db2.gz ICVOBUZHHHQLHR-JSXRDJHFSA-N 1 1 492.597 4.282 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000245325972 570064429 /nfs/dbraw/zinc/06/44/29/570064429.db2.gz CIVHMCANLIANCG-BWKNWUBXSA-N 1 1 489.104 4.037 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C ZINC000245325966 570064447 /nfs/dbraw/zinc/06/44/47/570064447.db2.gz CEUSGVDIUWEPMM-FYYLOGMGSA-N 1 1 487.641 4.263 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245328599 570065828 /nfs/dbraw/zinc/06/58/28/570065828.db2.gz VNNMDLXHBZMVQV-HLIRBWCUSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245328599 570065829 /nfs/dbraw/zinc/06/58/29/570065829.db2.gz VNNMDLXHBZMVQV-HLIRBWCUSA-N 1 1 471.944 4.233 50 0 JIAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccncc4)C3)nc3ccccc32)cc1 ZINC000247891971 570070886 /nfs/dbraw/zinc/07/08/86/570070886.db2.gz MWVPMYSFXJRILW-NRFANRHFSA-N 1 1 455.562 4.339 50 0 JIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccncc4)C3)nc3ccccc32)cc1 ZINC000247891971 570070887 /nfs/dbraw/zinc/07/08/87/570070887.db2.gz MWVPMYSFXJRILW-NRFANRHFSA-N 1 1 455.562 4.339 50 0 JIAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccncc4)CC3)nc3ccccc32)cc1 ZINC000247924144 570071180 /nfs/dbraw/zinc/07/11/80/570071180.db2.gz YREKWUKFNPCOLG-UHFFFAOYSA-N 1 1 455.562 4.339 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247954566 570071538 /nfs/dbraw/zinc/07/15/38/570071538.db2.gz ZRHLKICJDXMAIH-ORQYLMBXSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247954566 570071539 /nfs/dbraw/zinc/07/15/39/570071539.db2.gz ZRHLKICJDXMAIH-ORQYLMBXSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248092803 570073945 /nfs/dbraw/zinc/07/39/45/570073945.db2.gz HJEAQCFEJGDROJ-HSZRJFAPSA-N 1 1 459.638 4.486 50 0 JIAAMO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000248093084 570073997 /nfs/dbraw/zinc/07/39/97/570073997.db2.gz WLCJGSLJAITWHK-HSZRJFAPSA-N 1 1 459.638 4.087 50 0 JIAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000249692739 570078739 /nfs/dbraw/zinc/07/87/39/570078739.db2.gz MYVSPPXENHEIHA-FQEVSTJZSA-N 1 1 466.029 4.270 50 0 JIAAMO CCC[N@@H+]1CC(=Cc2cccc(OC)c2OC)C2=NC(=S)N[C@H](c3cccc(OC)c3OC)C2C1 ZINC000252634478 570089736 /nfs/dbraw/zinc/08/97/36/570089736.db2.gz WOJABXNGIBZIKD-IERWFCSNSA-N 1 1 495.645 4.303 50 0 JIAAMO COc1ccc([C@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3C(=O)N2C)cc1 ZINC000253410098 570097579 /nfs/dbraw/zinc/09/75/79/570097579.db2.gz MVQUCZQSOGSQBX-XVZMSMGLSA-N 1 1 475.633 4.329 50 0 JIAAMO O=C(c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000000999548 194000662 /nfs/dbraw/zinc/00/06/62/194000662.db2.gz YSDCQNVXTAGNPT-OWCLPIDISA-N 1 1 498.347 4.226 50 0 JIAAMO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000002960544 194181584 /nfs/dbraw/zinc/18/15/84/194181584.db2.gz OXWJJWSYTHJQNV-DEOSSOPVSA-N 1 1 453.590 4.500 50 0 JIAAMO CC[N@@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)c1cccc(O)c1 ZINC000003328701 194284552 /nfs/dbraw/zinc/28/45/52/194284552.db2.gz FBXDKYVJRDKXJZ-JWQCQUIFSA-N 1 1 457.517 4.193 50 0 JIAAMO O=C(c1ccco1)N1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000003427115 194320597 /nfs/dbraw/zinc/32/05/97/194320597.db2.gz YENPUIVZXBEVMQ-UHFFFAOYSA-N 1 1 465.623 4.111 50 0 JIAAMO O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000004374466 194388681 /nfs/dbraw/zinc/38/86/81/194388681.db2.gz CDPOFXVLELFQGF-NJAFHUGGSA-N 1 1 498.347 4.226 50 0 JIAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@@H](CC(C)C)[NH+]4CCOCC4)cc3)ccc12 ZINC000012864254 195160795 /nfs/dbraw/zinc/16/07/95/195160795.db2.gz JGYRTGSFNGBXCX-HSZRJFAPSA-N 1 1 478.589 4.157 50 0 JIAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000020779210 195224672 /nfs/dbraw/zinc/22/46/72/195224672.db2.gz XHAVYKSRSRHVKH-FQEVSTJZSA-N 1 1 455.562 4.396 50 0 JIAAMO Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000020865821 195234291 /nfs/dbraw/zinc/23/42/91/195234291.db2.gz BZGNXGPVFLNBAR-UHFFFAOYSA-N 1 1 471.630 4.468 50 0 JIAAMO Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)n1C ZINC000021030575 195269766 /nfs/dbraw/zinc/26/97/66/195269766.db2.gz KACWLQRLIDYRKG-UHFFFAOYSA-N 1 1 486.682 4.301 50 0 JIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021159411 195286374 /nfs/dbraw/zinc/28/63/74/195286374.db2.gz REOASZAHPNDXTB-XMMPIXPASA-N 1 1 459.638 4.210 50 0 JIAAMO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)c(C(C)=O)c(C)n3-c2ccc(C)cc2)CC1 ZINC000021167886 195289257 /nfs/dbraw/zinc/28/92/57/195289257.db2.gz OKQRGAYJLCOSTO-XMMPIXPASA-N 1 1 492.616 4.465 50 0 JIAAMO C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000021309237 195294038 /nfs/dbraw/zinc/29/40/38/195294038.db2.gz WRYCUFKRUXWDCT-MAUKXSAKSA-N 1 1 482.631 4.285 50 0 JIAAMO O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021530362 195308544 /nfs/dbraw/zinc/30/85/44/195308544.db2.gz GSVNIWZEAICPEQ-SANMLTNESA-N 1 1 457.549 4.257 50 0 JIAAMO CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NC[C@@H]2CCC[N@H+]2CC)c3C)cc1OCC ZINC000021913894 195331336 /nfs/dbraw/zinc/33/13/36/195331336.db2.gz XOHYHRMBRACQRT-FQEVSTJZSA-N 1 1 465.598 4.025 50 0 JIAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1 ZINC000058403108 195378864 /nfs/dbraw/zinc/37/88/64/195378864.db2.gz CHADOWLPNHLXKW-SBOBGEORSA-N 1 1 452.643 4.302 50 0 JIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1C ZINC000058070852 195363822 /nfs/dbraw/zinc/36/38/22/195363822.db2.gz KHIKUVQZPLOGGV-UHFFFAOYSA-N 1 1 477.678 4.455 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000058161836 195369055 /nfs/dbraw/zinc/36/90/55/195369055.db2.gz ABDIOUPCDOMLKI-SFHVURJKSA-N 1 1 474.483 4.015 50 0 JIAAMO O=C(C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000058161836 195369057 /nfs/dbraw/zinc/36/90/57/195369057.db2.gz ABDIOUPCDOMLKI-SFHVURJKSA-N 1 1 474.483 4.015 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000058173140 195371296 /nfs/dbraw/zinc/37/12/96/195371296.db2.gz XTOBYEYMSXNORT-YADARESESA-N 1 1 462.512 4.452 50 0 JIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000058173140 195371299 /nfs/dbraw/zinc/37/12/99/195371299.db2.gz XTOBYEYMSXNORT-YADARESESA-N 1 1 462.512 4.452 50 0 JIAAMO c1ccc2sc(N3CN(CCC[NH+]4CCOCC4)CN(c4nc5ccccc5s4)C3)nc2c1 ZINC000096300012 130053685 /nfs/dbraw/zinc/05/36/85/130053685.db2.gz WBNRVUQZCXTILM-UHFFFAOYSA-N 1 1 480.663 4.129 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102891219 130372750 /nfs/dbraw/zinc/37/27/50/130372750.db2.gz AEFPDQHBOGSGGK-ZHSNQQFMSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102891219 130372752 /nfs/dbraw/zinc/37/27/52/130372752.db2.gz AEFPDQHBOGSGGK-ZHSNQQFMSA-N 1 1 489.881 4.098 50 0 JIAAMO COc1ccc(-n2c(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)nnc2-c2ccco2)cc1 ZINC000095925499 518142449 /nfs/dbraw/zinc/14/24/49/518142449.db2.gz QKGDTJSFYCOSDA-UHFFFAOYSA-N 1 1 489.601 4.216 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036309861 520092139 /nfs/dbraw/zinc/09/21/39/520092139.db2.gz ZXNHOOYOSGDGRG-URXFXBBRSA-N 1 1 492.657 4.138 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307258 520154696 /nfs/dbraw/zinc/15/46/96/520154696.db2.gz UOOAVECXJGMSEM-VWNXMTODSA-N 1 1 483.584 4.397 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036307754 520155041 /nfs/dbraw/zinc/15/50/41/520155041.db2.gz JMWGEZRDULPJMT-VWNXMTODSA-N 1 1 483.584 4.397 50 0 JIAAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cnn(-c3ccccc3F)c2)CC1 ZINC000014967672 520465550 /nfs/dbraw/zinc/46/55/50/520465550.db2.gz AOCIUBSBZTWURG-UHFFFAOYSA-N 1 1 451.542 4.408 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C ZINC000008595653 520475198 /nfs/dbraw/zinc/47/51/98/520475198.db2.gz RWGQZVGFPYBYGQ-UHFFFAOYSA-N 1 1 489.620 4.128 50 0 JIAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306000 520797286 /nfs/dbraw/zinc/79/72/86/520797286.db2.gz QCISXYBUXIKURQ-OAQYLSRUSA-N 1 1 453.583 4.497 50 0 JIAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccccc4nc3C(=O)N2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000033249206 520951019 /nfs/dbraw/zinc/95/10/19/520951019.db2.gz CUGWCVNIWMPABB-LBDJNRNVSA-N 1 1 493.696 4.314 50 0 JIAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)Cc1ccccc1 ZINC000064929155 521019186 /nfs/dbraw/zinc/01/91/86/521019186.db2.gz JJBACPHDDIICRC-RUZDIDTESA-N 1 1 457.622 4.388 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036309811 521537945 /nfs/dbraw/zinc/53/79/45/521537945.db2.gz YHWFKWAOHDMXND-REWPJTCUSA-N 1 1 492.657 4.280 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4C(F)(F)F)n3)c2C2CC2)CC1 ZINC000014966087 521671491 /nfs/dbraw/zinc/67/14/91/521671491.db2.gz MBSNUKXAEPUQHK-UHFFFAOYSA-N 1 1 470.499 4.003 50 0 JIAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COc1ccccc1C ZINC000036151047 521679716 /nfs/dbraw/zinc/67/97/16/521679716.db2.gz FRQUGTYWSZEEHJ-QHCPKHFHSA-N 1 1 465.594 4.139 50 0 JIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002231585 522166099 /nfs/dbraw/zinc/16/60/99/522166099.db2.gz ZCPXEGOKYXYPQK-DQEYMECFSA-N 1 1 466.497 4.286 50 0 JIAAMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc2c1OCO2 ZINC000014992319 522376442 /nfs/dbraw/zinc/37/64/42/522376442.db2.gz TXQKLOCYLPZRMK-LJQANCHMSA-N 1 1 452.580 4.224 50 0 JIAAMO COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305983 522402011 /nfs/dbraw/zinc/40/20/11/522402011.db2.gz QYJBZIZIQZEJTL-NRFANRHFSA-N 1 1 453.583 4.353 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036302710 522642192 /nfs/dbraw/zinc/64/21/92/522642192.db2.gz WOAGOJNNQIRJBR-HSZRJFAPSA-N 1 1 497.636 4.470 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036302710 522642197 /nfs/dbraw/zinc/64/21/97/522642197.db2.gz WOAGOJNNQIRJBR-HSZRJFAPSA-N 1 1 497.636 4.470 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)CC(C)(C)O ZINC000036308737 522642222 /nfs/dbraw/zinc/64/22/22/522642222.db2.gz AGAKRKORRLPKBB-UHFFFAOYSA-N 1 1 453.583 4.455 50 0 JIAAMO C[N@@H+](CCNC(=O)c1cc2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)CCCC2=O)C1CCCCC1 ZINC000033126995 522860334 /nfs/dbraw/zinc/86/03/34/522860334.db2.gz USGIYHQULRJNTK-UHFFFAOYSA-N 1 1 489.538 4.370 50 0 JIAAMO CCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277395 523116606 /nfs/dbraw/zinc/11/66/06/523116606.db2.gz WXKYCNKZQUKMCP-UHFFFAOYSA-N 1 1 463.607 4.028 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004760309 523171954 /nfs/dbraw/zinc/17/19/54/523171954.db2.gz UNMKVPWXRYEYRT-ZYKLXPEUSA-N 1 1 499.677 4.447 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@@H](CNC(C)=O)C2)cc1F ZINC000012453365 523244379 /nfs/dbraw/zinc/24/43/79/523244379.db2.gz ACDCAWIJMBCQPC-FQEVSTJZSA-N 1 1 450.558 4.344 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036302422 523737569 /nfs/dbraw/zinc/73/75/69/523737569.db2.gz AKEDFHDHBBXMPG-HSZRJFAPSA-N 1 1 483.609 4.216 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036302422 523737576 /nfs/dbraw/zinc/73/75/76/523737576.db2.gz AKEDFHDHBBXMPG-HSZRJFAPSA-N 1 1 483.609 4.216 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036304337 523738780 /nfs/dbraw/zinc/73/87/80/523738780.db2.gz BHPGLKSULNPAEO-XMMPIXPASA-N 1 1 497.636 4.464 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036304337 523738787 /nfs/dbraw/zinc/73/87/87/523738787.db2.gz BHPGLKSULNPAEO-XMMPIXPASA-N 1 1 497.636 4.464 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000020508105 523808715 /nfs/dbraw/zinc/80/87/15/523808715.db2.gz OKQIDAIULSTXQY-IZZNHLLZSA-N 1 1 491.657 4.314 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000020508107 523808998 /nfs/dbraw/zinc/80/89/98/523808998.db2.gz OKQIDAIULSTXQY-FTJBHMTQSA-N 1 1 491.657 4.314 50 0 JIAAMO Cc1cccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3cc(Br)ccc3n2)c1 ZINC000020408394 524105147 /nfs/dbraw/zinc/10/51/47/524105147.db2.gz CXJDNWNEXOVCNY-UHFFFAOYSA-N 1 1 468.395 4.425 50 0 JIAAMO Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000048361866 524184492 /nfs/dbraw/zinc/18/44/92/524184492.db2.gz QFPVRUHNAQOFGW-PZJWPPBQSA-N 1 1 466.607 4.137 50 0 JIAAMO C[C@@H](CCc1c[nH]c2ccccc12)[N@H+]1CCc2c(c(C(=O)N(C)C)nn2CCC(F)(F)F)C1 ZINC000014733446 524522730 /nfs/dbraw/zinc/52/27/30/524522730.db2.gz XYQJSNXSDLZNRN-INIZCTEOSA-N 1 1 461.532 4.398 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)C[C@@H]2C)c1 ZINC000008594198 524554380 /nfs/dbraw/zinc/55/43/80/524554380.db2.gz GYCGXKPXQXKBQG-SFHVURJKSA-N 1 1 485.991 4.092 50 0 JIAAMO C[C@@H](CNC(=O)Cc1ccc(N2CCNC2=O)cc1)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000014884203 524657079 /nfs/dbraw/zinc/65/70/79/524657079.db2.gz AWYLGYIBRYBEFL-FQEVSTJZSA-N 1 1 492.645 4.036 50 0 JIAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc3ccccc31)CC2 ZINC000014978409 524940244 /nfs/dbraw/zinc/94/02/44/524940244.db2.gz LNSGMNVMRLJMDW-NRFANRHFSA-N 1 1 453.590 4.300 50 0 JIAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CC[N@H+]1CCCC[C@H]1C)C3=O ZINC000035477376 525642650 /nfs/dbraw/zinc/64/26/50/525642650.db2.gz NWHPHEKDSYMWAD-NGOKVRLYSA-N 1 1 480.653 4.188 50 0 JIAAMO COc1cccc(C(=O)N2CCC([C@@H](Cc3ccccc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1 ZINC000014991278 525794012 /nfs/dbraw/zinc/79/40/12/525794012.db2.gz KGOCNFBTLBJXBZ-HHHXNRCGSA-N 1 1 460.622 4.333 50 0 JIAAMO Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[N@H+]5CCC[C@@H]5C4)c(Cl)c3N2)cc1 ZINC000022579710 525843730 /nfs/dbraw/zinc/84/37/30/525843730.db2.gz QJNWUPKMMKZQKJ-IKGGRYGDSA-N 1 1 467.923 4.425 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146338 525920506 /nfs/dbraw/zinc/92/05/06/525920506.db2.gz YQSBJWPSPTVLDH-VWNXMTODSA-N 1 1 461.002 4.377 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)c1 ZINC000036145844 525924254 /nfs/dbraw/zinc/92/42/54/525924254.db2.gz OTQJFGCEUSJNMA-ZCYQVOJMSA-N 1 1 478.564 4.407 50 0 JIAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(N(C)c4ccccc4)cc2)CC3)cc1 ZINC000012247327 526172585 /nfs/dbraw/zinc/17/25/85/526172585.db2.gz XDLIYLXHUGNROJ-UHFFFAOYSA-N 1 1 494.643 4.385 50 0 JIAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(C)c(F)c3)n2n1 ZINC000008609677 526245880 /nfs/dbraw/zinc/24/58/80/526245880.db2.gz FTQOXIPFLUHJOM-UHFFFAOYSA-N 1 1 475.553 4.203 50 0 JIAAMO O=C(NCC[NH+]1CCCCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000009731655 526310307 /nfs/dbraw/zinc/31/03/07/526310307.db2.gz DLOULDKRMSNMSU-UHFFFAOYSA-N 1 1 459.395 4.166 50 0 JIAAMO O=C(CCc1c[nH]c2ccccc12)N1CCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2C1 ZINC000012200786 526577978 /nfs/dbraw/zinc/57/79/78/526577978.db2.gz GLCAMAMUWFGEOD-UHFFFAOYSA-N 1 1 495.627 4.239 50 0 JIAAMO O=C(c1ccc(Cl)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022608832 526677865 /nfs/dbraw/zinc/67/78/65/526677865.db2.gz JWAUOTHKVNOVOP-DEOSSOPVSA-N 1 1 450.966 4.133 50 0 JIAAMO Cc1oc(-c2ccccc2Cl)nc1C[S@@](=O)CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036091439 526742838 /nfs/dbraw/zinc/74/28/38/526742838.db2.gz IOZHOTFCFNTCRJ-KEGLGMRESA-N 1 1 466.047 4.036 50 0 JIAAMO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021795767 527005330 /nfs/dbraw/zinc/00/53/30/527005330.db2.gz RLBKRNVQAIQPLF-UHFFFAOYSA-N 1 1 462.373 4.158 50 0 JIAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](CCn2c3ncccc3nc2-c2ccncc2)CC1 ZINC000033139781 527191686 /nfs/dbraw/zinc/19/16/86/527191686.db2.gz IUOYGEMZQXQDII-UHFFFAOYSA-N 1 1 479.947 4.136 50 0 JIAAMO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc(CC(C)C)n[nH]2)CC1 ZINC000020451879 527691463 /nfs/dbraw/zinc/69/14/63/527691463.db2.gz VVABUKGRVQZMBH-HHHXNRCGSA-N 1 1 494.659 4.385 50 0 JIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc(CC(C)C)[nH]n2)CC1 ZINC000020451879 527691464 /nfs/dbraw/zinc/69/14/64/527691464.db2.gz VVABUKGRVQZMBH-HHHXNRCGSA-N 1 1 494.659 4.385 50 0 JIAAMO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc(CC(C)C)[nH]n2)CC1 ZINC000020451879 527691465 /nfs/dbraw/zinc/69/14/65/527691465.db2.gz VVABUKGRVQZMBH-HHHXNRCGSA-N 1 1 494.659 4.385 50 0 JIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)CSc2ccccn2)CC1 ZINC000020453516 527691773 /nfs/dbraw/zinc/69/17/73/527691773.db2.gz KXHUIYSQZZMMLY-RUZDIDTESA-N 1 1 495.668 4.337 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@H](C)C2)CCC3)c(OC)c1 ZINC000000729065 553775101 /nfs/dbraw/zinc/77/51/01/553775101.db2.gz TXVAIBWXXBXKQR-HNNXBMFYSA-N 1 1 457.596 4.177 50 0 JIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@H](C)C2)CCC3)c(OC)c1 ZINC000000729065 553775103 /nfs/dbraw/zinc/77/51/03/553775103.db2.gz TXVAIBWXXBXKQR-HNNXBMFYSA-N 1 1 457.596 4.177 50 0 JIAAMO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002214980 554097329 /nfs/dbraw/zinc/09/73/29/554097329.db2.gz RTFXAOMLPGDHGW-OKILXGFUSA-N 1 1 450.377 4.414 50 0 JIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002398853 554184454 /nfs/dbraw/zinc/18/44/54/554184454.db2.gz WFALGJSNNQEEKQ-DNQXCXABSA-N 1 1 454.461 4.417 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002432025 554205539 /nfs/dbraw/zinc/20/55/39/554205539.db2.gz AEFPDQHBOGSGGK-FXKZBUDASA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002432025 554205540 /nfs/dbraw/zinc/20/55/40/554205540.db2.gz AEFPDQHBOGSGGK-FXKZBUDASA-N 1 1 489.881 4.098 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccco4)c(OC)c2)N3)C1 ZINC000008928016 554825530 /nfs/dbraw/zinc/82/55/30/554825530.db2.gz WKXYYMWMSRXQPZ-FQEVSTJZSA-N 1 1 453.520 4.376 50 0 JIAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009291805 555066570 /nfs/dbraw/zinc/06/65/70/555066570.db2.gz USBVXALOFJWQOH-DQEYMECFSA-N 1 1 453.502 4.211 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3noc4c3CCc3sccc3-4)C[C@@H]2C)c1 ZINC000009642637 555355326 /nfs/dbraw/zinc/35/53/26/555355326.db2.gz LXZUJJBOXMSBLM-SFHVURJKSA-N 1 1 450.608 4.141 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2cc(C)cc(C)c2s1 ZINC000009707978 555432106 /nfs/dbraw/zinc/43/21/06/555432106.db2.gz MUPHVIVWDSIXJD-UHFFFAOYSA-N 1 1 459.637 4.305 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CS(=O)(=O)c1ccc(F)cc1)c1nc2c(cccc2Cl)s1 ZINC000009707959 555432145 /nfs/dbraw/zinc/43/21/45/555432145.db2.gz KVLPYQUJWJWRLU-UHFFFAOYSA-N 1 1 484.018 4.238 50 0 JIAAMO CCn1c(=O)c2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)sc2c2ccccc21 ZINC000009611130 555442754 /nfs/dbraw/zinc/44/27/54/555442754.db2.gz OPRJIDIYWXCTKB-UHFFFAOYSA-N 1 1 492.620 4.317 50 0 JIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 ZINC000009613862 555449883 /nfs/dbraw/zinc/44/98/83/555449883.db2.gz JBOFSWHGKXTBQW-MRXNPFEDSA-N 1 1 494.665 4.350 50 0 JIAAMO Cc1cc(C)cc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000019925584 555540898 /nfs/dbraw/zinc/54/08/98/555540898.db2.gz YNUVPLXMFPYNDW-UHFFFAOYSA-N 1 1 491.657 4.003 50 0 JIAAMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000020018693 555594773 /nfs/dbraw/zinc/59/47/73/555594773.db2.gz MLEDOSICKOCCTE-UHFFFAOYSA-N 1 1 491.657 4.167 50 0 JIAAMO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109062 555644622 /nfs/dbraw/zinc/64/46/22/555644622.db2.gz IWMHQIZAKPNQKC-SVBPBHIXSA-N 1 1 487.575 4.089 50 0 JIAAMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000014116451 555692200 /nfs/dbraw/zinc/69/22/00/555692200.db2.gz LVSOFSPXYZTEFJ-HNAYVOBHSA-N 1 1 473.645 4.242 50 0 JIAAMO O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014201353 555732890 /nfs/dbraw/zinc/73/28/90/555732890.db2.gz ABGTUWMPYPQYPV-XMMPIXPASA-N 1 1 457.599 4.423 50 0 JIAAMO CCc1c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000020572489 555824136 /nfs/dbraw/zinc/82/41/36/555824136.db2.gz LIXOUNPRKXWDHL-QHCPKHFHSA-N 1 1 475.658 4.144 50 0 JIAAMO CCOC(=O)c1nn(CCc2scnc2C)c2c1C[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014536901 555826093 /nfs/dbraw/zinc/82/60/93/555826093.db2.gz GFINVRNUFRXISA-KRWDZBQOSA-N 1 1 496.633 4.033 50 0 JIAAMO CCOC(=O)c1nn(CCc2scnc2C)c2c1C[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014536901 555826095 /nfs/dbraw/zinc/82/60/95/555826095.db2.gz GFINVRNUFRXISA-KRWDZBQOSA-N 1 1 496.633 4.033 50 0 JIAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014538696 555828288 /nfs/dbraw/zinc/82/82/88/555828288.db2.gz CCXVMXVGDYWPBN-JOCHJYFZSA-N 1 1 477.008 4.024 50 0 JIAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014538696 555828290 /nfs/dbraw/zinc/82/82/90/555828290.db2.gz CCXVMXVGDYWPBN-JOCHJYFZSA-N 1 1 477.008 4.024 50 0 JIAAMO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011814701 555829903 /nfs/dbraw/zinc/82/99/03/555829903.db2.gz LFTMKNJRZKLVKR-NDEPHWFRSA-N 1 1 492.627 4.430 50 0 JIAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011820913 555831263 /nfs/dbraw/zinc/83/12/63/555831263.db2.gz ISZSBZITNVMXOD-MHZLTWQESA-N 1 1 451.611 4.160 50 0 JIAAMO O=C(c1cccs1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020775325 555847710 /nfs/dbraw/zinc/84/77/10/555847710.db2.gz STMGHSKUGRYBRM-VWLOTQADSA-N 1 1 490.673 4.392 50 0 JIAAMO CSc1nccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)C3)n1 ZINC000015004808 555849429 /nfs/dbraw/zinc/84/94/29/555849429.db2.gz HIFQDWKLOLHJDG-DENIHFKCSA-N 1 1 496.036 4.171 50 0 JIAAMO COc1ccccc1[C@H]([C@@H](O)C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017545 555858801 /nfs/dbraw/zinc/85/88/01/555858801.db2.gz ZBJYRCMMFYEABF-IXCJQBJRSA-N 1 1 455.558 4.284 50 0 JIAAMO O=C(/C=C/c1cccs1)N1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015063341 555866736 /nfs/dbraw/zinc/86/67/36/555866736.db2.gz LJVUMWFSWGRVKN-BWSGXRDBSA-N 1 1 451.636 4.125 50 0 JIAAMO COc1ccc(CCc2nc3cccnc3n2C2CCN(C(=O)[C@H]3CCCCC[N@H+]3C)CC2)cc1 ZINC000015068604 555868686 /nfs/dbraw/zinc/86/86/86/555868686.db2.gz ZRAFCTWLHYKFEU-RUZDIDTESA-N 1 1 475.637 4.263 50 0 JIAAMO COc1cccc(C[C@H](C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[N@@H+](C)Cc2ccccn2)c1 ZINC000011981119 555876437 /nfs/dbraw/zinc/87/64/37/555876437.db2.gz GQARTBAGNUITFQ-AREMUKBSSA-N 1 1 487.600 4.414 50 0 JIAAMO Cc1cccc(N2CCN(C(=O)CC[N@@H+]3Cc4ccccc4O[C@@H](c4ccccc4F)C3)CC2)n1 ZINC000012042619 555895147 /nfs/dbraw/zinc/89/51/47/555895147.db2.gz NRVXBMZGHBFEFM-AREMUKBSSA-N 1 1 474.580 4.204 50 0 JIAAMO O=C(c1cc(C(c2ccccc2)c2ccccc2)no1)N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000012054306 555897621 /nfs/dbraw/zinc/89/76/21/555897621.db2.gz MQWAABLTBTVDSX-OAQYLSRUSA-N 1 1 459.590 4.164 50 0 JIAAMO CC(C)C(=O)N1CCN(CCOc2ccc(C[N@@H+](C)Cc3ccc4ncccc4c3)cc2)CC1 ZINC000012099214 555906298 /nfs/dbraw/zinc/90/62/98/555906298.db2.gz YACBPQLJIYSWER-UHFFFAOYSA-N 1 1 460.622 4.046 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000012140842 555919858 /nfs/dbraw/zinc/91/98/58/555919858.db2.gz AJUSZKODEZFJGN-UHFFFAOYSA-N 1 1 480.055 4.489 50 0 JIAAMO O=C(c1nc2sccn2c1CN1CC[NH+](Cc2ccccc2)CC1)N1CCCCCCC1 ZINC000022851298 555957217 /nfs/dbraw/zinc/95/72/17/555957217.db2.gz BTLMPWZAFDDSPW-UHFFFAOYSA-N 1 1 451.640 4.120 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726046 555962996 /nfs/dbraw/zinc/96/29/96/555962996.db2.gz FJQSNYITHNACME-MRXNPFEDSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726046 555962997 /nfs/dbraw/zinc/96/29/97/555962997.db2.gz FJQSNYITHNACME-MRXNPFEDSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCCc4ccc(SC)cc4)C3)n2)cc1OC ZINC000015726221 555963883 /nfs/dbraw/zinc/96/38/83/555963883.db2.gz FBKPLESTORTYKF-FQEVSTJZSA-N 1 1 496.633 4.047 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCCc4ccc(SC)cc4)C3)n2)cc1OC ZINC000015726221 555963884 /nfs/dbraw/zinc/96/38/84/555963884.db2.gz FBKPLESTORTYKF-FQEVSTJZSA-N 1 1 496.633 4.047 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)n2)cc1OC ZINC000015726287 555964343 /nfs/dbraw/zinc/96/43/43/555964343.db2.gz WBANBMILUYRHQP-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)n2)cc1OC ZINC000015726287 555964345 /nfs/dbraw/zinc/96/43/45/555964345.db2.gz WBANBMILUYRHQP-IBGZPJMESA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(C)c4cccc(Cl)c4)CC3)n2)cc1OC ZINC000015726356 555964425 /nfs/dbraw/zinc/96/44/25/555964425.db2.gz JTRKSNAMQODCEG-UHFFFAOYSA-N 1 1 470.957 4.282 50 0 JIAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccc(Cl)cc1F ZINC000022917175 555970724 /nfs/dbraw/zinc/97/07/24/555970724.db2.gz YHWQVHMEUGYIQK-UHFFFAOYSA-N 1 1 486.897 4.083 50 0 JIAAMO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000023115547 556011980 /nfs/dbraw/zinc/01/19/80/556011980.db2.gz KJLPFHSOEXYUTB-GUWAZMKPSA-N 1 1 450.501 4.309 50 0 JIAAMO CCc1ccc(Nc2nnc(SCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000012545234 556021390 /nfs/dbraw/zinc/02/13/90/556021390.db2.gz PTQMTUKAFPAIMQ-HXUWFJFHSA-N 1 1 453.637 4.327 50 0 JIAAMO Cc1ccccc1-n1cnnc1SCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012558000 556046747 /nfs/dbraw/zinc/04/67/47/556046747.db2.gz FZMGAQZFHQREJU-OAQYLSRUSA-N 1 1 456.015 4.275 50 0 JIAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000015934952 556072490 /nfs/dbraw/zinc/07/24/90/556072490.db2.gz FDSZERGQQQKTOV-UHFFFAOYSA-N 1 1 480.030 4.144 50 0 JIAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000015944428 556080950 /nfs/dbraw/zinc/08/09/50/556080950.db2.gz HVFPVNVZGVJZOV-WORKWWTESA-N 1 1 466.047 4.036 50 0 JIAAMO COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000012593780 556089199 /nfs/dbraw/zinc/08/91/99/556089199.db2.gz NBXBNJZHJKIMJH-OAQYLSRUSA-N 1 1 472.589 4.092 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001399 556106499 /nfs/dbraw/zinc/10/64/99/556106499.db2.gz VZHMACPGRZDTGC-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001399 556106502 /nfs/dbraw/zinc/10/65/02/556106502.db2.gz VZHMACPGRZDTGC-DDOIHHOZSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001677 556106922 /nfs/dbraw/zinc/10/69/22/556106922.db2.gz VSTPGKXOXGIIRZ-RJESQKRESA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001677 556106926 /nfs/dbraw/zinc/10/69/26/556106926.db2.gz VSTPGKXOXGIIRZ-RJESQKRESA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 ZINC000023983572 556111772 /nfs/dbraw/zinc/11/17/72/556111772.db2.gz OXTAVCQSLTVSPK-UHFFFAOYSA-N 1 1 484.629 4.074 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(I)cc1 ZINC000012922281 556141128 /nfs/dbraw/zinc/14/11/28/556141128.db2.gz NNLSLSVPUYPVHB-SFHVURJKSA-N 1 1 478.330 4.228 50 0 JIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(I)cc1 ZINC000012922281 556141131 /nfs/dbraw/zinc/14/11/31/556141131.db2.gz NNLSLSVPUYPVHB-SFHVURJKSA-N 1 1 478.330 4.228 50 0 JIAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCc2ccccc21 ZINC000024977108 556167056 /nfs/dbraw/zinc/16/70/56/556167056.db2.gz JQQANHMVGAWCJM-NRFANRHFSA-N 1 1 462.015 4.072 50 0 JIAAMO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000016993721 556197931 /nfs/dbraw/zinc/19/79/31/556197931.db2.gz CKTXUOGJMNBULE-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO COc1ccc([C@@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025480561 556218072 /nfs/dbraw/zinc/21/80/72/556218072.db2.gz XXBYDHMMYPBHLF-XCZPVHLTSA-N 1 1 455.558 4.284 50 0 JIAAMO CCn1c(=O)c2cc(Br)ccc2nc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000025777018 556233150 /nfs/dbraw/zinc/23/31/50/556233150.db2.gz YCSJJGOQKWAQIK-SFHVURJKSA-N 1 1 474.424 4.172 50 0 JIAAMO CCn1c(=O)c2cc(Br)ccc2nc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000025777018 556233153 /nfs/dbraw/zinc/23/31/53/556233153.db2.gz YCSJJGOQKWAQIK-SFHVURJKSA-N 1 1 474.424 4.172 50 0 JIAAMO O=C(c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017358040 556259744 /nfs/dbraw/zinc/25/97/44/556259744.db2.gz XKCDQDNESAQHMH-HMMYKYKNSA-N 1 1 461.587 4.057 50 0 JIAAMO CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000013134753 556364338 /nfs/dbraw/zinc/36/43/38/556364338.db2.gz AZGNSMCBRSOHOA-KQWNVCNZSA-N 1 1 477.630 4.195 50 0 JIAAMO CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000013134753 556364343 /nfs/dbraw/zinc/36/43/43/556364343.db2.gz AZGNSMCBRSOHOA-KQWNVCNZSA-N 1 1 477.630 4.195 50 0 JIAAMO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955414 556390013 /nfs/dbraw/zinc/39/00/13/556390013.db2.gz LJRJVADHTYGMDO-UHFFFAOYSA-N 1 1 459.319 4.489 50 0 JIAAMO NC(=O)NCCCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000032818297 556503075 /nfs/dbraw/zinc/50/30/75/556503075.db2.gz YWMWBWHQKJKOCN-UHFFFAOYSA-N 1 1 493.471 4.051 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000008611781 562947764 /nfs/dbraw/zinc/94/77/64/562947764.db2.gz SBEPQYBRFJHCEN-VWLOTQADSA-N 1 1 467.997 4.074 50 0 JIAAMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000057312387 569596271 /nfs/dbraw/zinc/59/62/71/569596271.db2.gz XGQPJEBRDCTCCI-AREMUKBSSA-N 1 1 487.556 4.454 50 0 JIAAMO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1Cl ZINC000057312318 569596319 /nfs/dbraw/zinc/59/63/19/569596319.db2.gz KXINSTWBUORAJR-KRWDZBQOSA-N 1 1 450.004 4.194 50 0 JIAAMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000062587356 569611972 /nfs/dbraw/zinc/61/19/72/569611972.db2.gz NBWIWXOXMKHSSJ-UHFFFAOYSA-N 1 1 499.036 4.488 50 0 JIAAMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)C1 ZINC000062640144 569614083 /nfs/dbraw/zinc/61/40/83/569614083.db2.gz HMVVLSRZNVOKOA-CQSZACIVSA-N 1 1 480.874 4.257 50 0 JIAAMO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cc3)c2cc1C ZINC000033006081 569614612 /nfs/dbraw/zinc/61/46/12/569614612.db2.gz KURWAGXKQISIEU-NRFANRHFSA-N 1 1 460.622 4.364 50 0 JIAAMO Cc1cc(=O)c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c(C2CC2)n1Cc1cccs1 ZINC000064074704 569616202 /nfs/dbraw/zinc/61/62/02/569616202.db2.gz DVZLONKJGLLUNP-XMMPIXPASA-N 1 1 487.669 4.459 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459974 569617828 /nfs/dbraw/zinc/61/78/28/569617828.db2.gz HXGSHQOZQHCMSW-UHFFFAOYSA-N 1 1 492.986 4.131 50 0 JIAAMO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)[nH+]1 ZINC000033318457 569623180 /nfs/dbraw/zinc/62/31/80/569623180.db2.gz SWAVYEFSSJDWCE-UHFFFAOYSA-N 1 1 462.373 4.158 50 0 JIAAMO COc1ccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000033326797 569623940 /nfs/dbraw/zinc/62/39/40/569623940.db2.gz MASOGFMPOXZYIN-UHFFFAOYSA-N 1 1 462.554 4.208 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cccc(Cl)c4C)[nH]c(=O)c3C2)cc1 ZINC000033331752 569624207 /nfs/dbraw/zinc/62/42/07/569624207.db2.gz WFYKUTUMXLUQSO-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(Cl)c4C)[nH]c(=O)c3C2)cc1 ZINC000033331752 569624208 /nfs/dbraw/zinc/62/42/08/569624208.db2.gz WFYKUTUMXLUQSO-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)C2)cc1 ZINC000064859519 569639171 /nfs/dbraw/zinc/63/91/71/569639171.db2.gz VGQVGABCBGMLNO-RUZDIDTESA-N 1 1 480.612 4.314 50 0 JIAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667482 569640369 /nfs/dbraw/zinc/64/03/69/569640369.db2.gz TZCUYSBFKVMWRR-LYZGTLIUSA-N 1 1 489.591 4.104 50 0 JIAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667482 569640371 /nfs/dbraw/zinc/64/03/71/569640371.db2.gz TZCUYSBFKVMWRR-LYZGTLIUSA-N 1 1 489.591 4.104 50 0 JIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000065080036 569659429 /nfs/dbraw/zinc/65/94/29/569659429.db2.gz VTMQUEVKNISACG-UHFFFAOYSA-N 1 1 472.589 4.146 50 0 JIAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787194 569659591 /nfs/dbraw/zinc/65/95/91/569659591.db2.gz PLKLUOWHJNTUTG-MHZLTWQESA-N 1 1 473.642 4.379 50 0 JIAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787194 569659592 /nfs/dbraw/zinc/65/95/92/569659592.db2.gz PLKLUOWHJNTUTG-MHZLTWQESA-N 1 1 473.642 4.379 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034787813 569659903 /nfs/dbraw/zinc/65/99/03/569659903.db2.gz JORLNSWMWGOSHU-MUUNZHRXSA-N 1 1 491.632 4.057 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034787813 569659904 /nfs/dbraw/zinc/65/99/04/569659904.db2.gz JORLNSWMWGOSHU-MUUNZHRXSA-N 1 1 491.632 4.057 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829734 569663441 /nfs/dbraw/zinc/66/34/41/569663441.db2.gz JTZPNCKXXBTKKS-FQRUVTKNSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@H](C)C2)cc1 ZINC000034829734 569663443 /nfs/dbraw/zinc/66/34/43/569663443.db2.gz JTZPNCKXXBTKKS-FQRUVTKNSA-N 1 1 467.679 4.500 50 0 JIAAMO CC(C)(C)CC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034830468 569663816 /nfs/dbraw/zinc/66/38/16/569663816.db2.gz WGPOAMYNLUDCCW-VWLOTQADSA-N 1 1 471.642 4.332 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000034830377 569663834 /nfs/dbraw/zinc/66/38/34/569663834.db2.gz FWOQIYZXXHKJHC-RDPSFJRHSA-N 1 1 467.679 4.500 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCCCC3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919524 569672094 /nfs/dbraw/zinc/67/20/94/569672094.db2.gz IAVNILYDAZGIKH-OAQYLSRUSA-N 1 1 498.693 4.387 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)o1 ZINC000065329750 569674924 /nfs/dbraw/zinc/67/49/24/569674924.db2.gz DONYKKGNRVOAPN-SFHVURJKSA-N 1 1 454.571 4.241 50 0 JIAAMO O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000035201875 569678259 /nfs/dbraw/zinc/67/82/59/569678259.db2.gz RNEJQJCQJFFTJC-UHFFFAOYSA-N 1 1 480.005 4.370 50 0 JIAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000035343049 569681445 /nfs/dbraw/zinc/68/14/45/569681445.db2.gz MTMURUGASJLJGV-UXHICEINSA-N 1 1 468.642 4.046 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)cn2)cc1 ZINC000035403805 569691360 /nfs/dbraw/zinc/69/13/60/569691360.db2.gz CITQIEGNNMVWPL-UHFFFAOYSA-N 1 1 469.633 4.235 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)cn2)cc1 ZINC000035403805 569691361 /nfs/dbraw/zinc/69/13/61/569691361.db2.gz CITQIEGNNMVWPL-UHFFFAOYSA-N 1 1 469.633 4.235 50 0 JIAAMO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035870693 569718285 /nfs/dbraw/zinc/71/82/85/569718285.db2.gz UIZAPOUNWAUTMS-IXCJQBJRSA-N 1 1 473.592 4.056 50 0 JIAAMO CCn1cc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872345 569719339 /nfs/dbraw/zinc/71/93/39/569719339.db2.gz KFUQODBLNIPWRZ-VWLOTQADSA-N 1 1 479.621 4.039 50 0 JIAAMO COc1ccc(NC(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(O)c(OC)c4)CC3)nc2)cc1 ZINC000095551431 569727681 /nfs/dbraw/zinc/72/76/81/569727681.db2.gz QDYNIFCBSQWFDO-UHFFFAOYSA-N 1 1 477.565 4.161 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2ccc(OC)cc2)CC1 ZINC000095925481 569730155 /nfs/dbraw/zinc/73/01/55/569730155.db2.gz JNVYYBXNJLGGBP-UHFFFAOYSA-N 1 1 479.650 4.469 50 0 JIAAMO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000096211196 569738206 /nfs/dbraw/zinc/73/82/06/569738206.db2.gz MXXCEBUIIUISPG-PKTZIBPZSA-N 1 1 467.031 4.279 50 0 JIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000096211196 569738207 /nfs/dbraw/zinc/73/82/07/569738207.db2.gz MXXCEBUIIUISPG-PKTZIBPZSA-N 1 1 467.031 4.279 50 0 JIAAMO CC1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000036250449 569758253 /nfs/dbraw/zinc/75/82/53/569758253.db2.gz WNFYFLOWLLZVFY-QFIPXVFZSA-N 1 1 476.459 4.024 50 0 JIAAMO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036250338 569758265 /nfs/dbraw/zinc/75/82/65/569758265.db2.gz PFEHJOSZUCNGQX-GCJKJVERSA-N 1 1 465.560 4.423 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@@H]1CCCO1 ZINC000036313088 569760601 /nfs/dbraw/zinc/76/06/01/569760601.db2.gz XXRCPFYLRVCLPP-WWNPGLIZSA-N 1 1 457.615 4.099 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036340883 569764167 /nfs/dbraw/zinc/76/41/67/569764167.db2.gz DNDOJRYNVZIHCY-URXFXBBRSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036340883 569764168 /nfs/dbraw/zinc/76/41/68/569764168.db2.gz DNDOJRYNVZIHCY-URXFXBBRSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340956 569764243 /nfs/dbraw/zinc/76/42/43/569764243.db2.gz IPXGZJKTVJVGMS-JPYJTQIMSA-N 1 1 471.960 4.432 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340956 569764244 /nfs/dbraw/zinc/76/42/44/569764244.db2.gz IPXGZJKTVJVGMS-JPYJTQIMSA-N 1 1 471.960 4.432 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000036341755 569764639 /nfs/dbraw/zinc/76/46/39/569764639.db2.gz CRSSXSCOBFQMSC-DEOSSOPVSA-N 1 1 481.593 4.131 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cccn3C)C2)cc1C ZINC000036341908 569764867 /nfs/dbraw/zinc/76/48/67/569764867.db2.gz IWNMOIJNQQEYDN-NDEPHWFRSA-N 1 1 469.633 4.137 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036342241 569765643 /nfs/dbraw/zinc/76/56/43/569765643.db2.gz CWBYZCHOEKGBFD-XMMPIXPASA-N 1 1 467.997 4.473 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346414 569769812 /nfs/dbraw/zinc/76/98/12/569769812.db2.gz OTLBJIYRLJFSRN-ZCYQVOJMSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036346414 569769813 /nfs/dbraw/zinc/76/98/13/569769813.db2.gz OTLBJIYRLJFSRN-ZCYQVOJMSA-N 1 1 483.584 4.491 50 0 JIAAMO CC[NH+]1CCN(C(=O)CCN(CCc2ccccc2)c2nc(-c3ccco3)nc3ccccc32)CC1 ZINC000037384023 569785484 /nfs/dbraw/zinc/78/54/84/569785484.db2.gz XMVPCLUZSLWYJE-UHFFFAOYSA-N 1 1 483.616 4.493 50 0 JIAAMO CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N2CC[NH+](CC)CC2)Cc2ccccc2)n1 ZINC000037384350 569785591 /nfs/dbraw/zinc/78/55/91/569785591.db2.gz RYYLUUBWNHAGAF-UHFFFAOYSA-N 1 1 466.029 4.406 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343832 569793842 /nfs/dbraw/zinc/79/38/42/569793842.db2.gz SNKLAHRIDVWWMW-BKJGLDIHSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344323 569793858 /nfs/dbraw/zinc/79/38/58/569793858.db2.gz VAPJNWMGRHXMGP-ZHSNQQFMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344323 569793859 /nfs/dbraw/zinc/79/38/59/569793859.db2.gz VAPJNWMGRHXMGP-ZHSNQQFMSA-N 1 1 490.774 4.386 50 0 JIAAMO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497514 569800717 /nfs/dbraw/zinc/80/07/17/569800717.db2.gz NNBBJEOQUSYCLI-SFHVURJKSA-N 1 1 499.681 4.490 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000101497514 569800718 /nfs/dbraw/zinc/80/07/18/569800718.db2.gz NNBBJEOQUSYCLI-SFHVURJKSA-N 1 1 499.681 4.490 50 0 JIAAMO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Br)cn4)C3)n2)cc1 ZINC000040149599 569819156 /nfs/dbraw/zinc/81/91/56/569819156.db2.gz PUZREILTONDRID-INIZCTEOSA-N 1 1 486.370 4.144 50 0 JIAAMO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Br)cn4)C3)n2)cc1 ZINC000040149599 569819158 /nfs/dbraw/zinc/81/91/58/569819158.db2.gz PUZREILTONDRID-INIZCTEOSA-N 1 1 486.370 4.144 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040151435 569819859 /nfs/dbraw/zinc/81/98/59/569819859.db2.gz BZNJKIUSFBEGOC-CQSZACIVSA-N 1 1 470.422 4.003 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000105004678 569849908 /nfs/dbraw/zinc/84/99/08/569849908.db2.gz YHWFKWAOHDMXND-NZQKXSOJSA-N 1 1 492.657 4.280 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)C1 ZINC000105007859 569850079 /nfs/dbraw/zinc/85/00/79/569850079.db2.gz NUAYVPWKJQMUIY-WMZHIEFXSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)C1 ZINC000105007859 569850081 /nfs/dbraw/zinc/85/00/81/569850081.db2.gz NUAYVPWKJQMUIY-WMZHIEFXSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105008150 569850099 /nfs/dbraw/zinc/85/00/99/569850099.db2.gz OTRHNPDMNFIQNM-RCZVLFRGSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105008150 569850100 /nfs/dbraw/zinc/85/01/00/569850100.db2.gz OTRHNPDMNFIQNM-RCZVLFRGSA-N 1 1 477.605 4.265 50 0 JIAAMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000106630816 569854382 /nfs/dbraw/zinc/85/43/82/569854382.db2.gz CNGNXQSTBLAJST-MIZPHKNDSA-N 1 1 457.640 4.061 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000107175360 569856324 /nfs/dbraw/zinc/85/63/24/569856324.db2.gz VAPJNWMGRHXMGP-ORQYLMBXSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000107175360 569856325 /nfs/dbraw/zinc/85/63/25/569856325.db2.gz VAPJNWMGRHXMGP-ORQYLMBXSA-N 1 1 490.774 4.386 50 0 JIAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 ZINC000108956411 569860068 /nfs/dbraw/zinc/86/00/68/569860068.db2.gz OAXNIQTUAHVTKE-INIZCTEOSA-N 1 1 461.012 4.156 50 0 JIAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 ZINC000108956411 569860069 /nfs/dbraw/zinc/86/00/69/569860069.db2.gz OAXNIQTUAHVTKE-INIZCTEOSA-N 1 1 461.012 4.156 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)cc1 ZINC000169680096 569870166 /nfs/dbraw/zinc/87/01/66/569870166.db2.gz NGHDRQPKISPZJB-CYFREDJKSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)cc1 ZINC000169680096 569870167 /nfs/dbraw/zinc/87/01/67/569870167.db2.gz NGHDRQPKISPZJB-CYFREDJKSA-N 1 1 453.652 4.109 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000169680382 569870417 /nfs/dbraw/zinc/87/04/17/569870417.db2.gz LOQWVRAYKCYJDD-ZJSXRUAMSA-N 1 1 474.667 4.059 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000229894020 570041776 /nfs/dbraw/zinc/04/17/76/570041776.db2.gz UOMKNIOOXOCHDJ-IPRDPGLQSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000229894020 570041777 /nfs/dbraw/zinc/04/17/77/570041777.db2.gz UOMKNIOOXOCHDJ-IPRDPGLQSA-N 1 1 470.356 4.041 50 0 JIAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000245280361 570061953 /nfs/dbraw/zinc/06/19/53/570061953.db2.gz ODWRUIWCKMYZIS-ZJSXRUAMSA-N 1 1 474.667 4.061 50 0 JIAAMO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000245330109 570066642 /nfs/dbraw/zinc/06/66/42/570066642.db2.gz XCEFPTRFJDLEIP-WZONZLPQSA-N 1 1 451.567 4.265 50 0 JIAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248134501 570075093 /nfs/dbraw/zinc/07/50/93/570075093.db2.gz YQTPRNMFWCXXCV-HSZRJFAPSA-N 1 1 459.638 4.486 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(OCC)cc2)C1 ZINC000248379390 570078375 /nfs/dbraw/zinc/07/83/75/570078375.db2.gz MRWQCAVWYXROEM-BWKNWUBXSA-N 1 1 481.568 4.177 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(OCC)cc2)C1 ZINC000248379390 570078376 /nfs/dbraw/zinc/07/83/76/570078376.db2.gz MRWQCAVWYXROEM-BWKNWUBXSA-N 1 1 481.568 4.177 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000252517773 570082968 /nfs/dbraw/zinc/08/29/68/570082968.db2.gz QVQZBZKNTZZNHW-ORQYLMBXSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252517773 570082969 /nfs/dbraw/zinc/08/29/69/570082969.db2.gz QVQZBZKNTZZNHW-ORQYLMBXSA-N 1 1 490.774 4.386 50 0 JIAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccncc1 ZINC000299761383 570174674 /nfs/dbraw/zinc/17/46/74/570174674.db2.gz KWAILFQPQJMOSF-QPPBQGQZSA-N 1 1 475.593 4.191 50 0 JIAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccncc1 ZINC000299761383 570174675 /nfs/dbraw/zinc/17/46/75/570174675.db2.gz KWAILFQPQJMOSF-QPPBQGQZSA-N 1 1 475.593 4.191 50 0 JIAAMO Cc1oc(-c2cccc(NC(=O)COc3ccc(C)cc3)c2)nc1CNC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000299769790 570175665 /nfs/dbraw/zinc/17/56/65/570175665.db2.gz QFWWAPTVPDXBJD-RUZDIDTESA-N 1 1 490.604 4.467 50 0 JIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)Nc1ccc2n[nH]cc2c1 ZINC000299779716 570176485 /nfs/dbraw/zinc/17/64/85/570176485.db2.gz QGMMWYNVCVUUHY-NBGIEHNGSA-N 1 1 482.028 4.158 50 0 JIAAMO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)Nc1ccc2n[nH]cc2c1 ZINC000299779716 570176487 /nfs/dbraw/zinc/17/64/87/570176487.db2.gz QGMMWYNVCVUUHY-NBGIEHNGSA-N 1 1 482.028 4.158 50 0 JIAAMO COc1cc(OC)c(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)s2)c(OC)c1 ZINC000299795042 570177160 /nfs/dbraw/zinc/17/71/60/570177160.db2.gz MAUVJDLGPORRRA-QGZVFWFLSA-N 1 1 471.627 4.295 50 0 JIAAMO CCOc1ccc(-n2nc(C(=O)NCCC[N@@H+](CC)Cc3ccccc3)c3ccccc3c2=O)cc1 ZINC000002943908 194175500 /nfs/dbraw/zinc/17/55/00/194175500.db2.gz CRPCLEUQYQFMDG-UHFFFAOYSA-N 1 1 484.600 4.426 50 0 JIAAMO C[C@@H](Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3)c1ccc(S(N)(=O)=O)cc1 ZINC000003448814 194328212 /nfs/dbraw/zinc/32/82/12/194328212.db2.gz RMGJEMOCUWJPCT-MRXNPFEDSA-N 1 1 485.679 4.377 50 0 JIAAMO Cc1c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012780935 195124788 /nfs/dbraw/zinc/12/47/88/195124788.db2.gz NULXXWKOWCJYSD-QHCPKHFHSA-N 1 1 450.539 4.003 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)C(C)C)c1 ZINC000012871752 195163755 /nfs/dbraw/zinc/16/37/55/195163755.db2.gz UNLOMFTYUAHFBD-HYFFOGBASA-N 1 1 488.654 4.031 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)C(C)C)c1 ZINC000012871752 195163759 /nfs/dbraw/zinc/16/37/59/195163759.db2.gz UNLOMFTYUAHFBD-HYFFOGBASA-N 1 1 488.654 4.031 50 0 JIAAMO COc1ccc(C(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c2ccc(OC)cc2)cc1 ZINC000012888649 195171565 /nfs/dbraw/zinc/17/15/65/195171565.db2.gz UDTVBXWTPYIYTA-UHFFFAOYSA-N 1 1 458.558 4.404 50 0 JIAAMO COc1ccc(C(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c2ccc(OC)cc2)cc1 ZINC000012888649 195171568 /nfs/dbraw/zinc/17/15/68/195171568.db2.gz UDTVBXWTPYIYTA-UHFFFAOYSA-N 1 1 458.558 4.404 50 0 JIAAMO CCOc1ccc(-n2nc(C(=O)NCCC[N@H+]3CCCC[C@H]3CC)c3ccccc3c2=O)cc1 ZINC000020804876 195228310 /nfs/dbraw/zinc/22/83/10/195228310.db2.gz UTKRCCFJSKAJBK-HXUWFJFHSA-N 1 1 462.594 4.169 50 0 JIAAMO Cc1oc2c(cc3c(C)c(CC(=O)N4CC[NH+](CCc5ccccn5)CC4)c(=O)oc3c2C)c1C ZINC000020759580 195217215 /nfs/dbraw/zinc/21/72/15/195217215.db2.gz PJONDPZKMRWHRO-UHFFFAOYSA-N 1 1 473.573 4.097 50 0 biogenic JIAAMO O=C(CCc1ccc2c(c1)OCO2)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000020913738 195246155 /nfs/dbraw/zinc/24/61/55/195246155.db2.gz FXBAAWCHYWAOSZ-DEOSSOPVSA-N 1 1 450.560 4.162 50 0 JIAAMO O=C(CCc1ccc2c(c1)OCO2)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000020913738 195246157 /nfs/dbraw/zinc/24/61/57/195246157.db2.gz FXBAAWCHYWAOSZ-DEOSSOPVSA-N 1 1 450.560 4.162 50 0 JIAAMO O=C(Cc1ccsc1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020918982 195247185 /nfs/dbraw/zinc/24/71/85/195247185.db2.gz FYOFAJOHFWCHKA-UHFFFAOYSA-N 1 1 490.673 4.073 50 0 JIAAMO O=C(c1ccco1)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000020892736 195237811 /nfs/dbraw/zinc/23/78/11/195237811.db2.gz OGYQDBCMLJLSSI-UHFFFAOYSA-N 1 1 457.574 4.066 50 0 JIAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccccc1NC(=O)C1=CSCCO1)Cc1cccs1 ZINC000021019555 195267112 /nfs/dbraw/zinc/26/71/12/195267112.db2.gz DBYDUUDVFAMUNF-KRWDZBQOSA-N 1 1 459.637 4.322 50 0 JIAAMO Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C[N@H+]4CCc5ccccc5C4)C3)c2)on1 ZINC000021887437 195325244 /nfs/dbraw/zinc/32/52/44/195325244.db2.gz AJXVKMAWMIZTFY-OAQYLSRUSA-N 1 1 465.619 4.417 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000057998832 195361634 /nfs/dbraw/zinc/36/16/34/195361634.db2.gz OMXXHDZZPRSPDM-UHFFFAOYSA-N 1 1 481.641 4.073 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000057998837 195361721 /nfs/dbraw/zinc/36/17/21/195361721.db2.gz VGPZXYQMZVAOCJ-UHFFFAOYSA-N 1 1 481.641 4.073 50 0 JIAAMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105471 195364892 /nfs/dbraw/zinc/36/48/92/195364892.db2.gz RCHHEARPTSIKOQ-RUZDIDTESA-N 1 1 461.562 4.012 50 0 JIAAMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105471 195364894 /nfs/dbraw/zinc/36/48/94/195364894.db2.gz RCHHEARPTSIKOQ-RUZDIDTESA-N 1 1 461.562 4.012 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC000059286646 195396645 /nfs/dbraw/zinc/39/66/45/195396645.db2.gz TZIUZRRCNXPMRL-ZRZAMGCNSA-N 1 1 477.649 4.098 50 0 JIAAMO CCOc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccsc2)C3=O)CC1 ZINC000064093851 195434019 /nfs/dbraw/zinc/43/40/19/195434019.db2.gz VTGWNWSISXEKAA-UHFFFAOYSA-N 1 1 461.587 4.265 50 0 JIAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000096124617 129975904 /nfs/dbraw/zinc/97/59/04/129975904.db2.gz FRVGFYIYPUWKHW-VWLOTQADSA-N 1 1 467.516 4.442 50 0 JIAAMO CC(C)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@H](C)O ZINC000036308903 519709932 /nfs/dbraw/zinc/70/99/32/519709932.db2.gz GULHOFFKYJGVCM-UWJYYQICSA-N 1 1 451.032 4.245 50 0 JIAAMO CC(C)OC(=O)c1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@H](C)C2 ZINC000022918207 519751907 /nfs/dbraw/zinc/75/19/07/519751907.db2.gz NCWVOPGZRZGDTP-IBGZPJMESA-N 1 1 469.651 4.194 50 0 JIAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)Cc4ccccc4)cc3)sc2C1 ZINC000016837670 519863829 /nfs/dbraw/zinc/86/38/29/519863829.db2.gz MIAPVJOQFGNUQH-UHFFFAOYSA-N 1 1 498.674 4.374 50 0 JIAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)Cc4ccccc4)cc3)sc2C1 ZINC000016837670 519863832 /nfs/dbraw/zinc/86/38/32/519863832.db2.gz MIAPVJOQFGNUQH-UHFFFAOYSA-N 1 1 498.674 4.374 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)Cc1ccccc1 ZINC000036309947 520317407 /nfs/dbraw/zinc/31/74/07/520317407.db2.gz WXCATHIYEHFGLP-ZCYQVOJMSA-N 1 1 478.658 4.487 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COC(C)(C)C ZINC000036309959 520317858 /nfs/dbraw/zinc/31/78/58/520317858.db2.gz XWJZIMQTDBEEQJ-UNMCSNQZSA-N 1 1 474.667 4.059 50 0 JIAAMO CCOC(=O)C1CC[NH+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)C2CCCCC2)CC1 ZINC000012243837 520577928 /nfs/dbraw/zinc/57/79/28/520577928.db2.gz KZLBMOZHPWCXFM-UHFFFAOYSA-N 1 1 487.622 4.377 50 0 JIAAMO CCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036045180 520876932 /nfs/dbraw/zinc/87/69/32/520876932.db2.gz RJWCIAUYPNYPQF-UHFFFAOYSA-N 1 1 467.561 4.022 50 0 JIAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)CC(C)C ZINC000036309369 521180551 /nfs/dbraw/zinc/18/05/51/521180551.db2.gz JHQVMWAYPBUIIJ-RDPSFJRHSA-N 1 1 474.667 4.381 50 0 JIAAMO CCN1CCCC[C@@H]1C(=O)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014881942 521586547 /nfs/dbraw/zinc/58/65/47/521586547.db2.gz TXNCGHOEMBUXCM-MUUNZHRXSA-N 1 1 491.676 4.463 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)CC1 ZINC000034899109 521671271 /nfs/dbraw/zinc/67/12/71/521671271.db2.gz RGLHQZQMERLXLJ-CQSZACIVSA-N 1 1 474.449 4.428 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)CC1 ZINC000020466799 521680746 /nfs/dbraw/zinc/68/07/46/521680746.db2.gz RQLOSYRQRAUVQA-UHFFFAOYSA-N 1 1 452.624 4.085 50 0 JIAAMO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000012508044 521700018 /nfs/dbraw/zinc/70/00/18/521700018.db2.gz YHWRYDLSFLHQDH-UHFFFAOYSA-N 1 1 458.809 4.045 50 0 JIAAMO CC[N@H+]1CC[C@@H](CN(C)C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)n(Cc4ccccc4)c32)C1 ZINC000014983380 521709134 /nfs/dbraw/zinc/70/91/34/521709134.db2.gz UELAMMYFKYMWIA-QFIPXVFZSA-N 1 1 475.637 4.401 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[N@H+](C[C@@H](C)CCC=C(C)C)CC2 ZINC000014889219 522020142 /nfs/dbraw/zinc/02/01/42/522020142.db2.gz SJWDXBAQYHHVQT-IBGZPJMESA-N 1 1 457.640 4.089 50 0 JIAAMO COc1cc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)cc(OC)c1OC ZINC000012456759 522495876 /nfs/dbraw/zinc/49/58/76/522495876.db2.gz PYSSBBIKQDGGIE-KRWDZBQOSA-N 1 1 471.627 4.295 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC)C[C@H]1CCCO1 ZINC000036303031 522642113 /nfs/dbraw/zinc/64/21/13/522642113.db2.gz RRRBXZYWRFBZCO-LADGPHEKSA-N 1 1 465.594 4.215 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC)C[C@H]1CCCO1 ZINC000036303031 522642122 /nfs/dbraw/zinc/64/21/22/522642122.db2.gz RRRBXZYWRFBZCO-LADGPHEKSA-N 1 1 465.594 4.215 50 0 JIAAMO COC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036207111 522787296 /nfs/dbraw/zinc/78/72/96/522787296.db2.gz SIWLAAPFVNKRGC-LJQANCHMSA-N 1 1 455.624 4.410 50 0 JIAAMO CC[C@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206045 522806801 /nfs/dbraw/zinc/80/68/01/522806801.db2.gz HLLQHYRXKXUCEE-KRWDZBQOSA-N 1 1 459.612 4.288 50 0 JIAAMO CC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206045 522806808 /nfs/dbraw/zinc/80/68/08/522806808.db2.gz HLLQHYRXKXUCEE-KRWDZBQOSA-N 1 1 459.612 4.288 50 0 JIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016343933 523197564 /nfs/dbraw/zinc/19/75/64/523197564.db2.gz VZJBUQAXQBHAAK-FQEVSTJZSA-N 1 1 459.384 4.406 50 0 JIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016343933 523197581 /nfs/dbraw/zinc/19/75/81/523197581.db2.gz VZJBUQAXQBHAAK-FQEVSTJZSA-N 1 1 459.384 4.406 50 0 JIAAMO CN1CCC([N@@H+](C)Cc2cccc(OC[C@@H]3CCCN(C(=O)Cc4ccsc4)C3)c2)CC1 ZINC000012218847 523318000 /nfs/dbraw/zinc/31/80/00/523318000.db2.gz QJDIUGYSHFXVEQ-HSZRJFAPSA-N 1 1 455.668 4.134 50 0 JIAAMO CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)c1)C1CC[NH+](C)CC1 ZINC000012218847 523318015 /nfs/dbraw/zinc/31/80/15/523318015.db2.gz QJDIUGYSHFXVEQ-HSZRJFAPSA-N 1 1 455.668 4.134 50 0 JIAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c2ccccc2O1 ZINC000020489444 523393557 /nfs/dbraw/zinc/39/35/57/523393557.db2.gz AMOFTTBWISKAQR-XMMPIXPASA-N 1 1 478.637 4.134 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036304006 523737898 /nfs/dbraw/zinc/73/78/98/523737898.db2.gz YMRHXBUFLHGSPP-QFIPXVFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036304006 523737904 /nfs/dbraw/zinc/73/79/04/523737904.db2.gz YMRHXBUFLHGSPP-QFIPXVFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036304008 523738443 /nfs/dbraw/zinc/73/84/43/523738443.db2.gz YMRHXBUFLHGSPP-JOCHJYFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036304008 523738450 /nfs/dbraw/zinc/73/84/50/523738450.db2.gz YMRHXBUFLHGSPP-JOCHJYFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000036146216 523881524 /nfs/dbraw/zinc/88/15/24/523881524.db2.gz PIDGJQBVZXRASR-VWNXMTODSA-N 1 1 461.002 4.377 50 0 JIAAMO CN1CC[NH+](CCCNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)CC1 ZINC000033035460 523900489 /nfs/dbraw/zinc/90/04/89/523900489.db2.gz HBUURQPMPJVULE-QHCPKHFHSA-N 1 1 498.071 4.119 50 0 JIAAMO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000033035568 523979615 /nfs/dbraw/zinc/97/96/15/523979615.db2.gz PLLPKBHUACHKBL-RUZDIDTESA-N 1 1 478.637 4.113 50 0 JIAAMO CCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485288 523990021 /nfs/dbraw/zinc/99/00/21/523990021.db2.gz CWUPAYXEUIJXNS-SVBPBHIXSA-N 1 1 466.585 4.111 50 0 biogenic JIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000033114274 524111599 /nfs/dbraw/zinc/11/15/99/524111599.db2.gz MOYLZACHPQFVRM-QGZVFWFLSA-N 1 1 497.596 4.113 50 0 JIAAMO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000033318309 524195568 /nfs/dbraw/zinc/19/55/68/524195568.db2.gz LIQCDBNGBUMNEJ-UHFFFAOYSA-N 1 1 451.958 4.461 50 0 JIAAMO Cc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4nc5ccc(C)cc5[nH]4)CC3)CC2)cc1 ZINC000033070826 524437817 /nfs/dbraw/zinc/43/78/17/524437817.db2.gz SGMQSYZSZYJDMR-UHFFFAOYSA-N 1 1 459.638 4.425 50 0 JIAAMO C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000014994486 524468880 /nfs/dbraw/zinc/46/88/80/524468880.db2.gz HDOMTVGBTPNHJO-QGZVFWFLSA-N 1 1 460.500 4.268 50 0 JIAAMO C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000014994486 524468889 /nfs/dbraw/zinc/46/88/89/524468889.db2.gz HDOMTVGBTPNHJO-QGZVFWFLSA-N 1 1 460.500 4.268 50 0 JIAAMO COc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccc(C)cc4)nc4cccnc43)CC2)cc1 ZINC000033139734 524548434 /nfs/dbraw/zinc/54/84/34/524548434.db2.gz HNMCPXQPMVVKHS-UHFFFAOYSA-N 1 1 470.577 4.265 50 0 JIAAMO COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)CCC3)c1 ZINC000016192733 524866765 /nfs/dbraw/zinc/86/67/65/524866765.db2.gz QYWLBUKAIGSFGT-OAHLLOKOSA-N 1 1 457.596 4.177 50 0 JIAAMO COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@@H](C)C2)CCC3)c1 ZINC000016192733 524866777 /nfs/dbraw/zinc/86/67/77/524866777.db2.gz QYWLBUKAIGSFGT-OAHLLOKOSA-N 1 1 457.596 4.177 50 0 JIAAMO Cc1cc(N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275058 525052709 /nfs/dbraw/zinc/05/27/09/525052709.db2.gz HVEFTNHACHNSFI-HXUWFJFHSA-N 1 1 492.643 4.298 50 0 JIAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159969 525313212 /nfs/dbraw/zinc/31/32/12/525313212.db2.gz XEIBQANRKFQIIM-GOSISDBHSA-N 1 1 455.624 4.070 50 0 JIAAMO Cc1ccccc1OC[C@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159969 525313220 /nfs/dbraw/zinc/31/32/20/525313220.db2.gz XEIBQANRKFQIIM-GOSISDBHSA-N 1 1 455.624 4.070 50 0 JIAAMO Cc1ccccc1OCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)s1 ZINC000033027337 525317117 /nfs/dbraw/zinc/31/71/17/525317117.db2.gz IFQDOMVDEZCSBQ-LJQANCHMSA-N 1 1 493.633 4.282 50 0 JIAAMO Cc1ccccc1OCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033027340 525317539 /nfs/dbraw/zinc/31/75/39/525317539.db2.gz IFQDOMVDEZCSBQ-IBGZPJMESA-N 1 1 493.633 4.282 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)C1 ZINC000021864169 525380614 /nfs/dbraw/zinc/38/06/14/525380614.db2.gz PUWZSSORGQMMMB-GTNJKRJXSA-N 1 1 480.653 4.389 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2C)cc1 ZINC000016319485 525504038 /nfs/dbraw/zinc/50/40/38/525504038.db2.gz PVIDYGUQUCJCOK-UHFFFAOYSA-N 1 1 491.657 4.152 50 0 JIAAMO Cc1ccc(Sc2ccc(N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)nn2)cc1 ZINC000045921378 525670469 /nfs/dbraw/zinc/67/04/69/525670469.db2.gz ZYYWQJBTXHCOCN-UHFFFAOYSA-N 1 1 487.673 4.497 50 0 JIAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000035461424 525673722 /nfs/dbraw/zinc/67/37/22/525673722.db2.gz ZMVRSGFOWQAHHR-HXUWFJFHSA-N 1 1 453.656 4.143 50 0 JIAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000035461433 525674059 /nfs/dbraw/zinc/67/40/59/525674059.db2.gz NRFXHRROLKQWGJ-HXUWFJFHSA-N 1 1 453.656 4.001 50 0 JIAAMO Cc1c(Cl)cccc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000020467741 525765308 /nfs/dbraw/zinc/76/53/08/525765308.db2.gz WGKJKTJADKVWSV-UHFFFAOYSA-N 1 1 454.983 4.433 50 0 JIAAMO Cc1c(Cl)cccc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2 ZINC000020467741 525765324 /nfs/dbraw/zinc/76/53/24/525765324.db2.gz WGKJKTJADKVWSV-UHFFFAOYSA-N 1 1 454.983 4.433 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)N(C)c2ccccc2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456447 525820743 /nfs/dbraw/zinc/82/07/43/525820743.db2.gz UDIWGNFCNMYCOS-UHFFFAOYSA-N 1 1 478.596 4.440 50 0 JIAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)N(C)c2ccccc2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456447 525820752 /nfs/dbraw/zinc/82/07/52/525820752.db2.gz UDIWGNFCNMYCOS-UHFFFAOYSA-N 1 1 478.596 4.440 50 0 JIAAMO Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000033334517 526078128 /nfs/dbraw/zinc/07/81/28/526078128.db2.gz XCLGAVOSADWKAG-XIEYBQDHSA-N 1 1 459.615 4.480 50 0 JIAAMO Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000009731744 526741721 /nfs/dbraw/zinc/74/17/21/526741721.db2.gz NFJVAOPWLITBOJ-HXUWFJFHSA-N 1 1 452.643 4.409 50 0 JIAAMO Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000009731744 526741724 /nfs/dbraw/zinc/74/17/24/526741724.db2.gz NFJVAOPWLITBOJ-HXUWFJFHSA-N 1 1 452.643 4.409 50 0 JIAAMO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]Cc3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000012246203 526768261 /nfs/dbraw/zinc/76/82/61/526768261.db2.gz MOVNOYYTOCTTPL-UHFFFAOYSA-N 1 1 474.996 4.300 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@@H+](CCc2ccccc2)C1 ZINC000014743076 527204133 /nfs/dbraw/zinc/20/41/33/527204133.db2.gz KZJBIJOUFNNAGY-LEWJYISDSA-N 1 1 465.594 4.323 50 0 JIAAMO Cn1nc(C(=O)N2CCCC2)c2c1CC[N@H+](Cc1ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc1)C2 ZINC000033280349 527540939 /nfs/dbraw/zinc/54/09/39/527540939.db2.gz QOPFDQJZUGORNE-UHFFFAOYSA-N 1 1 495.986 4.259 50 0 JIAAMO Cn1nc(C(=O)N2CCCC2)c2c1CC[N@@H+](Cc1ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc1)C2 ZINC000033280349 527540945 /nfs/dbraw/zinc/54/09/45/527540945.db2.gz QOPFDQJZUGORNE-UHFFFAOYSA-N 1 1 495.986 4.259 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CC[NH+](C)CC3)ccc2Cl)cc1Cl ZINC000002625150 554249040 /nfs/dbraw/zinc/24/90/40/554249040.db2.gz XLZFYAUSSPKQDI-UHFFFAOYSA-N 1 1 470.422 4.269 50 0 JIAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008431892 554585070 /nfs/dbraw/zinc/58/50/70/554585070.db2.gz IFEGAKSFXFLWRL-HSZRJFAPSA-N 1 1 468.594 4.469 50 0 JIAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008431892 554585071 /nfs/dbraw/zinc/58/50/71/554585071.db2.gz IFEGAKSFXFLWRL-HSZRJFAPSA-N 1 1 468.594 4.469 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCC(CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000008813387 554695716 /nfs/dbraw/zinc/69/57/16/554695716.db2.gz YPNMXXQAXBPSMB-DDJHWDJXSA-N 1 1 491.742 4.467 50 0 JIAAMO C[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccc(F)cc3)cc2)CC1 ZINC000008913613 554806304 /nfs/dbraw/zinc/80/63/04/554806304.db2.gz AYXOSLQPBGDAMO-UHFFFAOYSA-N 1 1 475.593 4.299 50 0 JIAAMO COc1ccc(C[N@@H+](CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000008918357 554814756 /nfs/dbraw/zinc/81/47/56/554814756.db2.gz DFILFLBFZIMCIO-GPDUQRLWSA-N 1 1 457.611 4.202 50 0 biogenic JIAAMO CC[N@@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000009115724 554902599 /nfs/dbraw/zinc/90/25/99/554902599.db2.gz YUMMOVIYYCPVGZ-YTTGMZPUSA-N 1 1 454.592 4.238 50 0 JIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2ccc(-n3c(C)cc4ccccc43)s2)CC1 ZINC000009229206 555003489 /nfs/dbraw/zinc/00/34/89/555003489.db2.gz DSPZPJKQYULAQE-QFIPXVFZSA-N 1 1 478.662 4.453 50 0 JIAAMO COc1ccccc1CNCc1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000009265765 555041721 /nfs/dbraw/zinc/04/17/21/555041721.db2.gz VKJAPVKURRKNJN-UHFFFAOYSA-N 1 1 466.655 4.082 50 0 JIAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000009269271 555044163 /nfs/dbraw/zinc/04/41/63/555044163.db2.gz RRTFRFBTBVSFGZ-NRFANRHFSA-N 1 1 469.607 4.076 50 0 JIAAMO Cc1ccc(C)c(N2CC[NH+]([C@H]3CCCC[C@@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000009408727 555171621 /nfs/dbraw/zinc/17/16/21/555171621.db2.gz DTNXXURHARMYBF-GOTSBHOMSA-N 1 1 462.059 4.369 50 0 JIAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009432398 555201562 /nfs/dbraw/zinc/20/15/62/555201562.db2.gz ZJAIYEBJKKQQCR-RPBOFIJWSA-N 1 1 459.615 4.223 50 0 JIAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009462968 555232505 /nfs/dbraw/zinc/23/25/05/555232505.db2.gz MKPIPQFKSRMULY-JOCHJYFZSA-N 1 1 488.009 4.325 50 0 JIAAMO CC[C@H](Sc1nc2ccccc2c2nc(CCn3c[nH+]cc3C)nn21)C(=O)NC1CCCCC1 ZINC000009472221 555255157 /nfs/dbraw/zinc/25/51/57/555255157.db2.gz OFCKUYJSVYLGGA-NRFANRHFSA-N 1 1 477.638 4.345 50 0 JIAAMO COc1ccccc1[C@H](CNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl)[NH+]1CCCC1 ZINC000009731533 555468716 /nfs/dbraw/zinc/46/87/16/555468716.db2.gz UKUFGQLOWZNTLB-FQEVSTJZSA-N 1 1 464.957 4.020 50 0 JIAAMO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000019889993 555529201 /nfs/dbraw/zinc/52/92/01/555529201.db2.gz XCLGAVOSADWKAG-BWAHOGKJSA-N 1 1 459.615 4.480 50 0 JIAAMO CC(C)Cc1nnc(NC(=O)CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000013769723 555613971 /nfs/dbraw/zinc/61/39/71/555613971.db2.gz ZXRTUPGKBICPEC-UHFFFAOYSA-N 1 1 491.661 4.389 50 0 JIAAMO O=C1CC[C@H](N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)CCN1Cc1ccccc1Cl ZINC000020235235 555727318 /nfs/dbraw/zinc/72/73/18/555727318.db2.gz MDKYWBZZNZXBGM-LOSJGSFVSA-N 1 1 452.042 4.396 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000020508110 555792093 /nfs/dbraw/zinc/79/20/93/555792093.db2.gz MVJYPSCYAKAIAT-DCEDVJGZSA-N 1 1 483.678 4.446 50 0 JIAAMO CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc(OCC)c1OCC ZINC000011667749 555798412 /nfs/dbraw/zinc/79/84/12/555798412.db2.gz BBEGJAIDOZYZLO-UHFFFAOYSA-N 1 1 475.611 4.062 50 0 JIAAMO CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc(OCC)c1OCC ZINC000011667749 555798414 /nfs/dbraw/zinc/79/84/14/555798414.db2.gz BBEGJAIDOZYZLO-UHFFFAOYSA-N 1 1 475.611 4.062 50 0 JIAAMO C[N@@H+](CCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21)Cc1ccccc1 ZINC000020579316 555834000 /nfs/dbraw/zinc/83/40/00/555834000.db2.gz JNNRTNFLUHKGCW-UHFFFAOYSA-N 1 1 458.562 4.139 50 0 JIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)cc1OC ZINC000020589468 555837928 /nfs/dbraw/zinc/83/79/28/555837928.db2.gz WSJUCSXIMJRREC-IRXDYDNUSA-N 1 1 467.566 4.263 50 0 JIAAMO O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000020598312 555840234 /nfs/dbraw/zinc/84/02/34/555840234.db2.gz YBWPZLKSBDTDLG-UHFFFAOYSA-N 1 1 493.970 4.248 50 0 JIAAMO CCn1c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2nc(C)c1=O ZINC000021973726 555858602 /nfs/dbraw/zinc/85/86/02/555858602.db2.gz BRFJECWSGJVWDE-UHFFFAOYSA-N 1 1 466.585 4.272 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015042316 555865940 /nfs/dbraw/zinc/86/59/40/555865940.db2.gz PVEQCXDTSIDYPB-UHFFFAOYSA-N 1 1 455.864 4.354 50 0 JIAAMO C[N@@H+](Cc1ccc(OC[C@H]2CCCN(C(=O)Cn3cncn3)C2)cc1)Cc1cccc2ccccc21 ZINC000015068962 555868608 /nfs/dbraw/zinc/86/86/08/555868608.db2.gz YIDYZQVZCRJIOH-DEOSSOPVSA-N 1 1 483.616 4.381 50 0 JIAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)c2cccc(Cn3cccn3)c2)Cc2ccccc2O1 ZINC000012052523 555896657 /nfs/dbraw/zinc/89/66/57/555896657.db2.gz KWPKCTFSAHZVBX-MUUNZHRXSA-N 1 1 482.584 4.306 50 0 JIAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)c2cccc(Cn3cccn3)c2)Cc2ccccc2O1 ZINC000012052523 555896660 /nfs/dbraw/zinc/89/66/60/555896660.db2.gz KWPKCTFSAHZVBX-MUUNZHRXSA-N 1 1 482.584 4.306 50 0 JIAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@@H](C)c3cccs3)C4=O)CC2)cc1OC ZINC000012149227 555921010 /nfs/dbraw/zinc/92/10/10/555921010.db2.gz YFEAENNBVHPWDP-SFHVURJKSA-N 1 1 491.613 4.445 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C)s2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000012162603 555931319 /nfs/dbraw/zinc/93/13/19/555931319.db2.gz XQFGYRWQYZFYIV-JTHBVZDNSA-N 1 1 471.667 4.031 50 0 JIAAMO COC(=O)CC[C@H]1CN(Cc2ccc(C)s2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000012162603 555931320 /nfs/dbraw/zinc/93/13/20/555931320.db2.gz XQFGYRWQYZFYIV-JTHBVZDNSA-N 1 1 471.667 4.031 50 0 JIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](C/C(C)=C/c3ccccc3)C2)nn1 ZINC000012163727 555931884 /nfs/dbraw/zinc/93/18/84/555931884.db2.gz CUHLIHWPSGLVRI-SOIYLAQESA-N 1 1 491.617 4.144 50 0 JIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](C/C(C)=C/c3ccccc3)C2)nn1 ZINC000012163727 555931886 /nfs/dbraw/zinc/93/18/86/555931886.db2.gz CUHLIHWPSGLVRI-SOIYLAQESA-N 1 1 491.617 4.144 50 0 JIAAMO O=C(CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)Nc1cc2c(cc1Br)OCCO2 ZINC000022845504 555956517 /nfs/dbraw/zinc/95/65/17/555956517.db2.gz JBKFOLDEHZHYEK-UHFFFAOYSA-N 1 1 494.817 4.020 50 0 JIAAMO O=C(CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)Nc1cc2c(cc1Br)OCCO2 ZINC000022845504 555956520 /nfs/dbraw/zinc/95/65/20/555956520.db2.gz JBKFOLDEHZHYEK-UHFFFAOYSA-N 1 1 494.817 4.020 50 0 JIAAMO CCc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000015726339 555964505 /nfs/dbraw/zinc/96/45/05/555964505.db2.gz JUMWJBJUYVSVQQ-UHFFFAOYSA-N 1 1 450.539 4.167 50 0 JIAAMO CCOC(=O)c1c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[C@@H](C)C2 ZINC000022920714 555974559 /nfs/dbraw/zinc/97/45/59/555974559.db2.gz MIKSVMKRCAABTA-MOPGFXCFSA-N 1 1 469.651 4.194 50 0 JIAAMO COc1cc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)c(OC)cc1Cl ZINC000022930002 555983089 /nfs/dbraw/zinc/98/30/89/555983089.db2.gz DAHOXGVEYFVENI-UHFFFAOYSA-N 1 1 459.999 4.328 50 0 JIAAMO Cc1cc(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(C)C)c(C)c3)CC2)ccc1C(C)C ZINC000022942209 555992599 /nfs/dbraw/zinc/99/25/99/555992599.db2.gz ODMCENJBMASFNK-UIOOFZCWSA-N 1 1 498.708 4.347 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012731 556111722 /nfs/dbraw/zinc/11/17/22/556111722.db2.gz PABVDNFZBVUBAR-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012731 556111724 /nfs/dbraw/zinc/11/17/24/556111724.db2.gz PABVDNFZBVUBAR-DDOIHHOZSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016013265 556112450 /nfs/dbraw/zinc/11/24/50/556112450.db2.gz NTKJKHWYHWYGFP-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016013265 556112454 /nfs/dbraw/zinc/11/24/54/556112454.db2.gz NTKJKHWYHWYGFP-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO c1coc(C[NH+]2CCN(c3nc(CN4CCOCC4)nc4scc(-c5cccs5)c43)CC2)c1 ZINC000023989424 556113124 /nfs/dbraw/zinc/11/31/24/556113124.db2.gz ZDMTWRZGKRZQKS-UHFFFAOYSA-N 1 1 481.647 4.167 50 0 JIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000024001816 556116054 /nfs/dbraw/zinc/11/60/54/556116054.db2.gz VNYHYTIFBNQDMH-UHFFFAOYSA-N 1 1 497.705 4.038 50 0 JIAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000016032405 556116700 /nfs/dbraw/zinc/11/67/00/556116700.db2.gz GGSSOHAHFTZPNA-PSUQPPDWSA-N 1 1 462.631 4.077 50 0 biogenic JIAAMO CCCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000016032405 556116703 /nfs/dbraw/zinc/11/67/03/556116703.db2.gz GGSSOHAHFTZPNA-PSUQPPDWSA-N 1 1 462.631 4.077 50 0 biogenic JIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000012911263 556130147 /nfs/dbraw/zinc/13/01/47/556130147.db2.gz QMXMKWXZZHTRBP-UHFFFAOYSA-N 1 1 455.603 4.251 50 0 JIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000017042726 556209523 /nfs/dbraw/zinc/20/95/23/556209523.db2.gz YSJUQFIZYHMNOS-UHFFFAOYSA-N 1 1 457.987 4.001 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000013037729 556232748 /nfs/dbraw/zinc/23/27/48/556232748.db2.gz JKXXCUQZDVJWCJ-SFHVURJKSA-N 1 1 486.663 4.145 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000013037729 556232752 /nfs/dbraw/zinc/23/27/52/556232752.db2.gz JKXXCUQZDVJWCJ-SFHVURJKSA-N 1 1 486.663 4.145 50 0 JIAAMO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013113544 556318315 /nfs/dbraw/zinc/31/83/15/556318315.db2.gz OYOKJRVLCMIWAN-UHFFFAOYSA-N 1 1 461.993 4.394 50 0 JIAAMO CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC000029607609 556353913 /nfs/dbraw/zinc/35/39/13/556353913.db2.gz FGJGZCNZKNSFJG-UHFFFAOYSA-N 1 1 456.395 4.008 50 0 JIAAMO CCCC1N=NC(=S)N1CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180854 556364282 /nfs/dbraw/zinc/36/42/82/556364282.db2.gz NLXUJJKYPSTNQB-UHFFFAOYSA-N 1 1 476.071 4.246 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCN(C(=O)c4ccccc4O)CC3)c2c1C ZINC000032913372 556537720 /nfs/dbraw/zinc/53/77/20/556537720.db2.gz IIQZIVLCOMTGGE-UHFFFAOYSA-N 1 1 479.650 4.208 50 0 JIAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc4c(c2)Cc2ccccc2-4)CC3)c(C)o1 ZINC000012047789 562958856 /nfs/dbraw/zinc/95/88/56/562958856.db2.gz IFCYBJHHFGKVOY-UHFFFAOYSA-N 1 1 467.573 4.047 50 0 JIAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000057015889 569593929 /nfs/dbraw/zinc/59/39/29/569593929.db2.gz FFZVPUFSAAPHDX-BCHFMIIMSA-N 1 1 495.645 4.456 50 0 JIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061997750 569609980 /nfs/dbraw/zinc/60/99/80/569609980.db2.gz XBZFWBUPXLINMY-BAAZAXTHSA-N 1 1 477.564 4.318 50 0 biogenic JIAAMO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc3)c2cc1C ZINC000033006090 569614667 /nfs/dbraw/zinc/61/46/67/569614667.db2.gz QKZDSQDBDPSIPZ-UHFFFAOYSA-N 1 1 468.601 4.232 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCC2)C1 ZINC000033331711 569624191 /nfs/dbraw/zinc/62/41/91/569624191.db2.gz YDVPXSSJXISZMQ-ANSQWYIGSA-N 1 1 470.683 4.344 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC2CCCC2)s1 ZINC000064704313 569624872 /nfs/dbraw/zinc/62/48/72/569624872.db2.gz UIKSCRXEXKRMCS-IBGZPJMESA-N 1 1 495.697 4.239 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704459 569624957 /nfs/dbraw/zinc/62/49/57/569624957.db2.gz HCUMVZCWMRGXEO-SFHVURJKSA-N 1 1 483.686 4.095 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704457 569624971 /nfs/dbraw/zinc/62/49/71/569624971.db2.gz HCUMVZCWMRGXEO-GOSISDBHSA-N 1 1 483.686 4.095 50 0 JIAAMO COc1ccc(/C=C\C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2)cc1 ZINC000034378482 569640095 /nfs/dbraw/zinc/64/00/95/569640095.db2.gz QPYSJNCGSXSBSN-MIMFSIPGSA-N 1 1 475.570 4.218 50 0 JIAAMO COc1ccc(/C=C\C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2)cc1 ZINC000034378482 569640096 /nfs/dbraw/zinc/64/00/96/569640096.db2.gz QPYSJNCGSXSBSN-MIMFSIPGSA-N 1 1 475.570 4.218 50 0 JIAAMO COc1ccccc1C[N@H+]1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cn2)CC1 ZINC000034681704 569643485 /nfs/dbraw/zinc/64/34/85/569643485.db2.gz YIXRUPIBFVJBCN-UHFFFAOYSA-N 1 1 480.996 4.473 50 0 JIAAMO O=C(Nc1ccc(N2CCC[N@H+](C[C@H](O)Cc3ccccc3)CC2)nc1)c1ccccc1Cl ZINC000034682217 569643758 /nfs/dbraw/zinc/64/37/58/569643758.db2.gz CBEAPFJUGZHUKZ-JOCHJYFZSA-N 1 1 464.997 4.103 50 0 JIAAMO C[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023169 569649654 /nfs/dbraw/zinc/64/96/54/569649654.db2.gz BZTYJNDINKLNDC-QHCPKHFHSA-N 1 1 461.585 4.137 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034787146 569659572 /nfs/dbraw/zinc/65/95/72/569659572.db2.gz WQYPTDDLIHFRFC-RUZDIDTESA-N 1 1 480.033 4.334 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034787146 569659574 /nfs/dbraw/zinc/65/95/74/569659574.db2.gz WQYPTDDLIHFRFC-RUZDIDTESA-N 1 1 480.033 4.334 50 0 JIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830056 569663700 /nfs/dbraw/zinc/66/37/00/569663700.db2.gz XKCWTACZOPBOHR-HHHXNRCGSA-N 1 1 493.698 4.451 50 0 JIAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]c(=O)c2C1 ZINC000067291732 569685746 /nfs/dbraw/zinc/68/57/46/569685746.db2.gz ONGGHDRYYILYFM-UHFFFAOYSA-N 1 1 460.909 4.353 50 0 JIAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]c(=O)c2C1 ZINC000067291732 569685748 /nfs/dbraw/zinc/68/57/48/569685748.db2.gz ONGGHDRYYILYFM-UHFFFAOYSA-N 1 1 460.909 4.353 50 0 JIAAMO COc1cc(C(C)=O)ccc1OCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000089292136 569718198 /nfs/dbraw/zinc/71/81/98/569718198.db2.gz CYJQNPQQPZJBKO-UHFFFAOYSA-N 1 1 465.377 4.364 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545220 569727008 /nfs/dbraw/zinc/72/70/08/569727008.db2.gz NNKSZZBBCCHANR-UHFFFAOYSA-N 1 1 462.569 4.345 50 0 JIAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)CC1 ZINC000095546805 569727199 /nfs/dbraw/zinc/72/71/99/569727199.db2.gz HCEIBDLSZNVXBI-UHFFFAOYSA-N 1 1 488.592 4.148 50 0 JIAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2cc(-c3c(C)cc(C)cc3C)on2)CC1 ZINC000095549658 569727384 /nfs/dbraw/zinc/72/73/84/569727384.db2.gz XEYCAXRWSRUXKP-UHFFFAOYSA-N 1 1 488.632 4.463 50 0 JIAAMO C[NH2+][C@@H](c1nnnn1[C@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)C)c1ccccc1 ZINC000096602276 569742478 /nfs/dbraw/zinc/74/24/78/569742478.db2.gz JLBCMYPLTXAQDT-KCZVDYSFSA-N 1 1 466.977 4.092 50 0 JIAAMO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000100015656 569751434 /nfs/dbraw/zinc/75/14/34/569751434.db2.gz NDAZATDQFDPQBD-UHFFFAOYSA-N 1 1 465.550 4.125 50 0 in-man JIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)cc1 ZINC000036341495 569764572 /nfs/dbraw/zinc/76/45/72/569764572.db2.gz KICUYTABTQDORP-NDEPHWFRSA-N 1 1 486.591 4.330 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)C1 ZINC000036341613 569764724 /nfs/dbraw/zinc/76/47/24/569764724.db2.gz NUAYVPWKJQMUIY-XXBNENTESA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)C1 ZINC000036341613 569764725 /nfs/dbraw/zinc/76/47/25/569764725.db2.gz NUAYVPWKJQMUIY-XXBNENTESA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342111 569765411 /nfs/dbraw/zinc/76/54/11/569765411.db2.gz RLCULUKWQZYZLP-ZCYQVOJMSA-N 1 1 483.584 4.491 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342111 569765413 /nfs/dbraw/zinc/76/54/13/569765413.db2.gz RLCULUKWQZYZLP-ZCYQVOJMSA-N 1 1 483.584 4.491 50 0 JIAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036342868 569766007 /nfs/dbraw/zinc/76/60/07/569766007.db2.gz SKRZXSBRQXKEHY-HSZRJFAPSA-N 1 1 453.970 4.165 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036346677 569770665 /nfs/dbraw/zinc/77/06/65/569770665.db2.gz FLHPMYXPNPBHIR-QHCPKHFHSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036346677 569770666 /nfs/dbraw/zinc/77/06/66/569770666.db2.gz FLHPMYXPNPBHIR-QHCPKHFHSA-N 1 1 489.563 4.486 50 0 JIAAMO Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c(C)c1 ZINC000036550240 569776431 /nfs/dbraw/zinc/77/64/31/569776431.db2.gz CFQJYANOZLREKD-SXOMAYOGSA-N 1 1 466.585 4.165 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344845 569793873 /nfs/dbraw/zinc/79/38/73/569793873.db2.gz VZHMACPGRZDTGC-ZHSNQQFMSA-N 1 1 489.881 4.098 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344845 569793874 /nfs/dbraw/zinc/79/38/74/569793874.db2.gz VZHMACPGRZDTGC-ZHSNQQFMSA-N 1 1 489.881 4.098 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1 ZINC000038545849 569802575 /nfs/dbraw/zinc/80/25/75/569802575.db2.gz ADCGJWZSSZBRQM-RUZDIDTESA-N 1 1 496.007 4.324 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000101878953 569806971 /nfs/dbraw/zinc/80/69/71/569806971.db2.gz KXENKQWTEWLFGN-UHFFFAOYSA-N 1 1 450.970 4.046 50 0 JIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101878953 569806973 /nfs/dbraw/zinc/80/69/73/569806973.db2.gz KXENKQWTEWLFGN-UHFFFAOYSA-N 1 1 450.970 4.046 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149644 569819281 /nfs/dbraw/zinc/81/92/81/569819281.db2.gz HAJLBFVOORQWHU-ICSRJNTNSA-N 1 1 464.591 4.400 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149644 569819282 /nfs/dbraw/zinc/81/92/82/569819282.db2.gz HAJLBFVOORQWHU-ICSRJNTNSA-N 1 1 464.591 4.400 50 0 JIAAMO CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102941142 569829601 /nfs/dbraw/zinc/82/96/01/569829601.db2.gz UWNIQFODGGRYET-UQBPGWFLSA-N 1 1 496.677 4.432 50 0 JIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1OC ZINC000046032392 569842984 /nfs/dbraw/zinc/84/29/84/569842984.db2.gz ZGKRJSNOUQCSST-UHFFFAOYSA-N 1 1 462.575 4.248 50 0 JIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1OC ZINC000046032392 569842986 /nfs/dbraw/zinc/84/29/86/569842986.db2.gz ZGKRJSNOUQCSST-UHFFFAOYSA-N 1 1 462.575 4.248 50 0 JIAAMO Fc1ccc(-c2noc(-c3ccc(N4CC[NH+](CCOc5ccc(Cl)cc5)CC4)nn3)n2)cc1 ZINC000046913899 569845236 /nfs/dbraw/zinc/84/52/36/569845236.db2.gz HYTIAOAKNHYRAB-UHFFFAOYSA-N 1 1 480.931 4.187 50 0 JIAAMO O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12)N1CCOCC1 ZINC000104917271 569847003 /nfs/dbraw/zinc/84/70/03/569847003.db2.gz WDFKFJPXMZHUFO-GGAORHGYSA-N 1 1 493.957 4.081 50 0 JIAAMO COc1ccc(Oc2c(C[N@H+](C[C@H](C)O)C[C@@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000105002071 569848961 /nfs/dbraw/zinc/84/89/61/569848961.db2.gz GWIQHDFUMKBTKI-CYFREDJKSA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](C)O)C[C@@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000105002071 569848962 /nfs/dbraw/zinc/84/89/62/569848962.db2.gz GWIQHDFUMKBTKI-CYFREDJKSA-N 1 1 451.567 4.343 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)C1 ZINC000105007857 569850192 /nfs/dbraw/zinc/85/01/92/569850192.db2.gz NUAYVPWKJQMUIY-AUSIDOKSSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)C1 ZINC000105007857 569850194 /nfs/dbraw/zinc/85/01/94/569850194.db2.gz NUAYVPWKJQMUIY-AUSIDOKSSA-N 1 1 453.970 4.293 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3OC)C2)cc1OC ZINC000105011004 569850901 /nfs/dbraw/zinc/85/09/01/569850901.db2.gz PSYVTTRWVBQWEP-PGRDOPGGSA-N 1 1 451.567 4.265 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000105060353 569852585 /nfs/dbraw/zinc/85/25/85/569852585.db2.gz FWOQIYZXXHKJHC-YKSBVNFPSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@@H](C)C2)cc1 ZINC000169679836 569869959 /nfs/dbraw/zinc/86/99/59/569869959.db2.gz GMGJROSYYCSYTQ-RXFWQSSRSA-N 1 1 453.652 4.109 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)C)[C@@H](C)C2)cc1 ZINC000169679836 569869960 /nfs/dbraw/zinc/86/99/60/569869960.db2.gz GMGJROSYYCSYTQ-RXFWQSSRSA-N 1 1 453.652 4.109 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000169680296 569870361 /nfs/dbraw/zinc/87/03/61/569870361.db2.gz GEYNMWSTYSFIET-CCLHPLFOSA-N 1 1 489.641 4.077 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000169680296 569870362 /nfs/dbraw/zinc/87/03/62/569870362.db2.gz GEYNMWSTYSFIET-CCLHPLFOSA-N 1 1 489.641 4.077 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000245228561 570055709 /nfs/dbraw/zinc/05/57/09/570055709.db2.gz MVJYPSCYAKAIAT-ZPZUNKDASA-N 1 1 483.678 4.446 50 0 JIAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245239377 570057701 /nfs/dbraw/zinc/05/77/01/570057701.db2.gz IFKGYTUXZYXLRX-HPLYCVKXSA-N 1 1 468.642 4.408 50 0 JIAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245255087 570059854 /nfs/dbraw/zinc/05/98/54/570059854.db2.gz FLEJDNAIIQAFEC-GYKHTSFTSA-N 1 1 497.982 4.366 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245330441 570066766 /nfs/dbraw/zinc/06/67/66/570066766.db2.gz YQSBJWPSPTVLDH-ISKFKSNPSA-N 1 1 461.002 4.377 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380622 570067578 /nfs/dbraw/zinc/06/75/78/570067578.db2.gz CRDPUDAOORRLLK-GJZUVCINSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380622 570067581 /nfs/dbraw/zinc/06/75/81/570067581.db2.gz CRDPUDAOORRLLK-GJZUVCINSA-N 1 1 477.605 4.443 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380622 570067583 /nfs/dbraw/zinc/06/75/83/570067583.db2.gz CRDPUDAOORRLLK-GJZUVCINSA-N 1 1 477.605 4.443 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247839506 570069927 /nfs/dbraw/zinc/06/99/27/570069927.db2.gz OZSGSWFXERWLLT-LFYAFONDSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247839506 570069928 /nfs/dbraw/zinc/06/99/28/570069928.db2.gz OZSGSWFXERWLLT-LFYAFONDSA-N 1 1 471.944 4.233 50 0 JIAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4cccnc4)CC3)nc3ccccc32)cc1 ZINC000247882518 570070642 /nfs/dbraw/zinc/07/06/42/570070642.db2.gz JSRJVWOBPCTHIC-UHFFFAOYSA-N 1 1 455.562 4.339 50 0 JIAAMO CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000248027498 570073032 /nfs/dbraw/zinc/07/30/32/570073032.db2.gz MQKXBDCSRVHXFZ-QHCPKHFHSA-N 1 1 459.638 4.258 50 0 JIAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248097302 570073975 /nfs/dbraw/zinc/07/39/75/570073975.db2.gz YQHIRYWMWGPVHY-QFIPXVFZSA-N 1 1 459.638 4.258 50 0 JIAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@]12c1ccccc1NC2=O ZINC000252000514 570079672 /nfs/dbraw/zinc/07/96/72/570079672.db2.gz MERVUSSRRGAVCO-PEMRLZPOSA-N 1 1 477.564 4.264 50 0 JIAAMO CCc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000004489176 194390914 /nfs/dbraw/zinc/39/09/14/194390914.db2.gz PESKUPSSDKDAAP-UHFFFAOYSA-N 1 1 453.384 4.119 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009882362 195010192 /nfs/dbraw/zinc/01/01/92/195010192.db2.gz JDQNRUJDBDOURF-UHFFFAOYSA-N 1 1 465.550 4.113 50 0 JIAAMO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012741360 195101175 /nfs/dbraw/zinc/10/11/75/195101175.db2.gz WPRKLMXFIOUXES-UHFFFAOYSA-N 1 1 450.579 4.180 50 0 JIAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1I ZINC000012748094 195103782 /nfs/dbraw/zinc/10/37/82/195103782.db2.gz ZVFNNQMURZTYKW-UHFFFAOYSA-N 1 1 478.330 4.403 50 0 JIAAMO Cn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012793705 195134040 /nfs/dbraw/zinc/13/40/40/195134040.db2.gz UHWPGBPPKUEOFX-QGZVFWFLSA-N 1 1 496.683 4.206 50 0 JIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000020682021 195204095 /nfs/dbraw/zinc/20/40/95/195204095.db2.gz TXTXZNVCQUGSKF-UHFFFAOYSA-N 1 1 465.601 4.235 50 0 JIAAMO CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000020760611 195217586 /nfs/dbraw/zinc/21/75/86/195217586.db2.gz IPNWEBXXBZOWCY-UHFFFAOYSA-N 1 1 489.616 4.383 50 0 JIAAMO COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000020774412 195223801 /nfs/dbraw/zinc/22/38/01/195223801.db2.gz TUZZUJXTZFMOED-UHFFFAOYSA-N 1 1 476.504 4.158 50 0 JIAAMO CCCN(CC1CC1)C(=O)CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000020905477 195244945 /nfs/dbraw/zinc/24/49/45/195244945.db2.gz CXOZMCMOTINUJP-UKILVPOCSA-N 1 1 462.078 4.292 50 0 JIAAMO CCCN(CC1CC1)C(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1 ZINC000020905477 195244947 /nfs/dbraw/zinc/24/49/47/195244947.db2.gz CXOZMCMOTINUJP-UKILVPOCSA-N 1 1 462.078 4.292 50 0 JIAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000020906136 195245112 /nfs/dbraw/zinc/24/51/12/195245112.db2.gz ATYIVIIOJOCBFP-RUZDIDTESA-N 1 1 460.626 4.057 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000020938635 195254359 /nfs/dbraw/zinc/25/43/59/195254359.db2.gz SPRFGHHQEUKOPP-QFIPXVFZSA-N 1 1 485.632 4.481 50 0 JIAAMO COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)C[N@@H+](Cc3ccccc3)C4)cc2)c1N ZINC000021115685 195278481 /nfs/dbraw/zinc/27/84/81/195278481.db2.gz QWQKMFCFITXICF-UHFFFAOYSA-N 1 1 467.529 4.009 50 0 JIAAMO COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)C[N@H+](Cc3ccccc3)C4)cc2)c1N ZINC000021115685 195278483 /nfs/dbraw/zinc/27/84/83/195278483.db2.gz QWQKMFCFITXICF-UHFFFAOYSA-N 1 1 467.529 4.009 50 0 JIAAMO COc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530535 195308690 /nfs/dbraw/zinc/30/86/90/195308690.db2.gz TZDYEAYRUFEFMO-AREMUKBSSA-N 1 1 499.611 4.135 50 0 JIAAMO CC(C)N(C)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@H](O)c1ccccc1 ZINC000036248941 519634612 /nfs/dbraw/zinc/63/46/12/519634612.db2.gz YOYVDHFGCZQYQF-SANMLTNESA-N 1 1 478.637 4.054 50 0 JIAAMO CC(C)c1nnc(NC(=O)CCC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000020394691 519889621 /nfs/dbraw/zinc/88/96/21/519889621.db2.gz NMXKRWBSRHNEAW-UHFFFAOYSA-N 1 1 475.618 4.294 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036303885 520154420 /nfs/dbraw/zinc/15/44/20/520154420.db2.gz KMPXKIGTHFXMJD-JOCHJYFZSA-N 1 1 451.567 4.343 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036303885 520154424 /nfs/dbraw/zinc/15/44/24/520154424.db2.gz KMPXKIGTHFXMJD-JOCHJYFZSA-N 1 1 451.567 4.343 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC(C)C ZINC000036308870 520318495 /nfs/dbraw/zinc/31/84/95/520318495.db2.gz SZMXNXCZQRPVEW-RDGATRHJSA-N 1 1 488.694 4.484 50 0 JIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3ccc(C(=O)NCc4ccccc4F)cc3)CC2)C1 ZINC000014980394 520528086 /nfs/dbraw/zinc/52/80/86/520528086.db2.gz QVIXZSKJKZALSO-XMMPIXPASA-N 1 1 494.655 4.305 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C/C=C/c2ccco2)CCO3)C1 ZINC000014951215 520539425 /nfs/dbraw/zinc/53/94/25/520539425.db2.gz BWWOCVSOCAATAD-CJHOVAGGSA-N 1 1 451.611 4.268 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036309495 521536760 /nfs/dbraw/zinc/53/67/60/521536760.db2.gz QRGZBJLSJXOBHE-DHLKQENFSA-N 1 1 488.694 4.307 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036309620 521537136 /nfs/dbraw/zinc/53/71/36/521537136.db2.gz QZRYXBNOHVKRHD-URXFXBBRSA-N 1 1 492.657 4.138 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)[C@@H](C)C(C)(C)O ZINC000036310255 521537412 /nfs/dbraw/zinc/53/74/12/521537412.db2.gz HGWLTWCWVLWPHR-AVRDEDQJSA-N 1 1 460.640 4.133 50 0 JIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)CN1CCOCC1 ZINC000036304882 521679519 /nfs/dbraw/zinc/67/95/19/521679519.db2.gz FQWXLQHBCJMYJH-RUZDIDTESA-N 1 1 478.637 4.187 50 0 JIAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000021810692 522746443 /nfs/dbraw/zinc/74/64/43/522746443.db2.gz YHZKPVCKVLAQME-NDEPHWFRSA-N 1 1 476.621 4.420 50 0 JIAAMO C[N@@H+](CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021810723 522822633 /nfs/dbraw/zinc/82/26/33/522822633.db2.gz NTRVUBOPTWRMII-AREMUKBSSA-N 1 1 454.615 4.162 50 0 JIAAMO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206048 522991078 /nfs/dbraw/zinc/99/10/78/522991078.db2.gz HLLQHYRXKXUCEE-QGZVFWFLSA-N 1 1 459.612 4.288 50 0 JIAAMO CC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206048 522991082 /nfs/dbraw/zinc/99/10/82/522991082.db2.gz HLLQHYRXKXUCEE-QGZVFWFLSA-N 1 1 459.612 4.288 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000014978835 523119813 /nfs/dbraw/zinc/11/98/13/523119813.db2.gz ICLKTHYFVDZOSH-IZZNHLLZSA-N 1 1 479.665 4.094 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260170 523171507 /nfs/dbraw/zinc/17/15/07/523171507.db2.gz NFSWPSOKBXXCEW-JOCHJYFZSA-N 1 1 496.059 4.042 50 0 JIAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1 ZINC000036206291 523171915 /nfs/dbraw/zinc/17/19/15/523171915.db2.gz VHQQDZLOIBKMMF-FQEVSTJZSA-N 1 1 463.603 4.474 50 0 JIAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)Cc4ccccc4)C(C)C)nc(=O)c23)cc1 ZINC000036206291 523171926 /nfs/dbraw/zinc/17/19/26/523171926.db2.gz VHQQDZLOIBKMMF-FQEVSTJZSA-N 1 1 463.603 4.474 50 0 JIAAMO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC[N@@H+](Cc4ccco4)C4CCCC4)C3)n2)cc1 ZINC000009431762 523298075 /nfs/dbraw/zinc/29/80/75/523298075.db2.gz AMSOPSHHAIVUAK-NRFANRHFSA-N 1 1 493.608 4.116 50 0 JIAAMO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC[N@@H+](Cc4ccco4)C4CCCC4)C3)n2)cc1 ZINC000009431765 523299332 /nfs/dbraw/zinc/29/93/32/523299332.db2.gz AMSOPSHHAIVUAK-OAQYLSRUSA-N 1 1 493.608 4.116 50 0 JIAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000016631368 523311618 /nfs/dbraw/zinc/31/16/18/523311618.db2.gz NXBBSYYBCBEITB-OAQYLSRUSA-N 1 1 451.519 4.090 50 0 JIAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000016631368 523311624 /nfs/dbraw/zinc/31/16/24/523311624.db2.gz NXBBSYYBCBEITB-OAQYLSRUSA-N 1 1 451.519 4.090 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036302438 523737278 /nfs/dbraw/zinc/73/72/78/523737278.db2.gz IWXUMIMMLSNRQK-XMMPIXPASA-N 1 1 497.636 4.464 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036302438 523737284 /nfs/dbraw/zinc/73/72/84/523737284.db2.gz IWXUMIMMLSNRQK-XMMPIXPASA-N 1 1 497.636 4.464 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461452 524100599 /nfs/dbraw/zinc/10/05/99/524100599.db2.gz QECKTAJZZFILIH-HXUWFJFHSA-N 1 1 453.656 4.225 50 0 JIAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000022786115 524956756 /nfs/dbraw/zinc/95/67/56/524956756.db2.gz DQDJACXFMWZMEX-JOCHJYFZSA-N 1 1 459.590 4.386 50 0 JIAAMO COc1ccc(Oc2c(C[N@H+](C[C@@H](C)O)C[C@@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000036304592 524989311 /nfs/dbraw/zinc/98/93/11/524989311.db2.gz GWIQHDFUMKBTKI-DVECYGJZSA-N 1 1 451.567 4.343 50 0 JIAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](C)O)C[C@@H]3CCCO3)c(C)nn2-c2ccccc2)cc1 ZINC000036304592 524989321 /nfs/dbraw/zinc/98/93/21/524989321.db2.gz GWIQHDFUMKBTKI-DVECYGJZSA-N 1 1 451.567 4.343 50 0 JIAAMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000014116446 525408205 /nfs/dbraw/zinc/40/82/05/525408205.db2.gz LVSOFSPXYZTEFJ-DNVCBOLYSA-N 1 1 473.645 4.242 50 0 JIAAMO COc1ccc2[nH]cc([C@@H](O)C[N@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000012437038 525495680 /nfs/dbraw/zinc/49/56/80/525495680.db2.gz ZZFLEMPMVQJSPH-SVBPBHIXSA-N 1 1 481.552 4.106 50 0 biogenic JIAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000035461419 525674731 /nfs/dbraw/zinc/67/47/31/525674731.db2.gz ZMVRSGFOWQAHHR-FQEVSTJZSA-N 1 1 453.656 4.143 50 0 JIAAMO COc1cccc(C2=NO[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000020274137 525858283 /nfs/dbraw/zinc/85/82/83/525858283.db2.gz VJYBVVRXIQGRNJ-SANMLTNESA-N 1 1 455.558 4.122 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000033114275 526250507 /nfs/dbraw/zinc/25/05/07/526250507.db2.gz MOYLZACHPQFVRM-KRWDZBQOSA-N 1 1 497.596 4.113 50 0 JIAAMO S=c1n(CN2CC[NH+](Cc3ccsc3)CC2)nc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000023042810 526389202 /nfs/dbraw/zinc/38/92/02/526389202.db2.gz KEZJLLYQAZWTCL-GOSISDBHSA-N 1 1 461.682 4.158 50 0 JIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCC([C@@H](O)c2cccnc2)CC1 ZINC000014973134 526496670 /nfs/dbraw/zinc/49/66/70/526496670.db2.gz QLWHVNYQJZDFPT-LMSSTIIKSA-N 1 1 471.601 4.380 50 0 JIAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1ccc(F)cc1 ZINC000033069207 526649151 /nfs/dbraw/zinc/64/91/51/526649151.db2.gz TYMCHGDAECVUFM-UHFFFAOYSA-N 1 1 454.933 4.400 50 0 JIAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1ccc(F)cc1 ZINC000033069207 526649154 /nfs/dbraw/zinc/64/91/54/526649154.db2.gz TYMCHGDAECVUFM-UHFFFAOYSA-N 1 1 454.933 4.400 50 0 JIAAMO O=C(c1ccncc1)N1CCC(Oc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000012242711 526849977 /nfs/dbraw/zinc/84/99/77/526849977.db2.gz OXOMBIDNOMRISJ-UHFFFAOYSA-N 1 1 474.580 4.227 50 0 JIAAMO O=C(c1cnc2sccn2c1=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000040059995 526877715 /nfs/dbraw/zinc/87/77/15/526877715.db2.gz ZBQIWAIMZCIJDJ-UHFFFAOYSA-N 1 1 471.007 4.096 50 0 JIAAMO O=C1C[C@@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000009892352 527018092 /nfs/dbraw/zinc/01/80/92/527018092.db2.gz VCQZFBKXDXOXGX-XMMPIXPASA-N 1 1 460.599 4.024 50 0 JIAAMO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022808934 527056821 /nfs/dbraw/zinc/05/68/21/527056821.db2.gz OEFPZLMUNXBBNE-UHFFFAOYSA-N 1 1 489.019 4.301 50 0 JIAAMO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022808934 527056824 /nfs/dbraw/zinc/05/68/24/527056824.db2.gz OEFPZLMUNXBBNE-UHFFFAOYSA-N 1 1 489.019 4.301 50 0 JIAAMO O=C1[C@H](Oc2cccc(Cl)c2)[C@@H](c2cc(F)ccc2F)N1CCCC[NH+]1CCOCC1 ZINC000048249010 527116036 /nfs/dbraw/zinc/11/60/36/527116036.db2.gz YKZIWTQQCHZRHK-FGZHOGPDSA-N 1 1 450.913 4.062 50 0 JIAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1)c1ccncc1 ZINC000014994897 527689417 /nfs/dbraw/zinc/68/94/17/527689417.db2.gz STZDHZUUJYCGQA-UHFFFAOYSA-N 1 1 464.997 4.256 50 0 JIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000002219395 554099911 /nfs/dbraw/zinc/09/99/11/554099911.db2.gz FAGDSBOVRYGMMT-JOCHJYFZSA-N 1 1 481.549 4.347 50 0 JIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000002219395 554099915 /nfs/dbraw/zinc/09/99/15/554099915.db2.gz FAGDSBOVRYGMMT-JOCHJYFZSA-N 1 1 481.549 4.347 50 0 JIAAMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000002629536 554252100 /nfs/dbraw/zinc/25/21/00/554252100.db2.gz ZJODBUNAXOHTHH-MRXNPFEDSA-N 1 1 459.178 4.092 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(I)c2)N3)C1 ZINC000008927642 554825203 /nfs/dbraw/zinc/82/52/03/554825203.db2.gz DUQJMKZDFJUZQN-INIZCTEOSA-N 1 1 469.348 4.168 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)[NH+](C)C ZINC000009218158 554987142 /nfs/dbraw/zinc/98/71/42/554987142.db2.gz FPGHVZUPWZYMNG-JOCHJYFZSA-N 1 1 490.629 4.251 50 0 JIAAMO CC[N@@H+](CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)Cc1ccccc1 ZINC000009268856 555044290 /nfs/dbraw/zinc/04/42/90/555044290.db2.gz POBDQFBHSXPQFX-UHFFFAOYSA-N 1 1 459.515 4.222 50 0 JIAAMO CC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289372 555063730 /nfs/dbraw/zinc/06/37/30/555063730.db2.gz DBHAJVGGSVBHCF-FUHIMQAGSA-N 1 1 454.640 4.355 50 0 JIAAMO COCCC[N@H+](Cc1ccco1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408713 555171642 /nfs/dbraw/zinc/17/16/42/555171642.db2.gz DCXPKISXUOWPHN-HSZRJFAPSA-N 1 1 462.999 4.491 50 0 JIAAMO COCCC[N@@H+](Cc1ccco1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009408713 555171644 /nfs/dbraw/zinc/17/16/44/555171644.db2.gz DCXPKISXUOWPHN-HSZRJFAPSA-N 1 1 462.999 4.491 50 0 JIAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009432400 555201513 /nfs/dbraw/zinc/20/15/13/555201513.db2.gz ZJAIYEBJKKQQCR-DQEYMECFSA-N 1 1 459.615 4.223 50 0 JIAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009432631 555202060 /nfs/dbraw/zinc/20/20/60/555202060.db2.gz OKQIDAIULSTXQY-CLJLJLNGSA-N 1 1 491.657 4.314 50 0 JIAAMO CC[C@@H](Sc1nc2ccccc2c2nc(CCn3c[nH+]cc3C)nn21)C(=O)NC1CCCCC1 ZINC000009472223 555255209 /nfs/dbraw/zinc/25/52/09/555255209.db2.gz OFCKUYJSVYLGGA-OAQYLSRUSA-N 1 1 477.638 4.345 50 0 JIAAMO CC[N@@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@H](O)c1cccc(O)c1 ZINC000009510166 555299234 /nfs/dbraw/zinc/29/92/34/555299234.db2.gz FBXDKYVJRDKXJZ-RPBOFIJWSA-N 1 1 457.517 4.193 50 0 JIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000009514053 555304441 /nfs/dbraw/zinc/30/44/41/555304441.db2.gz ATVMIUGYYXTXLY-IRLDBZIGSA-N 1 1 482.506 4.316 50 0 JIAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000009634070 555338559 /nfs/dbraw/zinc/33/85/59/555338559.db2.gz JVLWHQIZKMPEBA-KRWDZBQOSA-N 1 1 486.663 4.190 50 0 JIAAMO O[C@H](COc1ccc(OC(F)(F)F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013463771 555401268 /nfs/dbraw/zinc/40/12/68/555401268.db2.gz NXVMURBJRDQISJ-HNNXBMFYSA-N 1 1 487.931 4.410 50 0 JIAAMO CCC(=O)NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019871501 555523926 /nfs/dbraw/zinc/52/39/26/555523926.db2.gz FJWSMAAPKNETNJ-UHFFFAOYSA-N 1 1 486.641 4.457 50 0 JIAAMO CCc1ccc(N2CN(CCC[NH+]3CCOCC3)CN(c3ccc(CC)cc3)C2=S)cc1 ZINC000019899447 555535064 /nfs/dbraw/zinc/53/50/64/555535064.db2.gz DXHSKCJRKRQBEA-UHFFFAOYSA-N 1 1 452.668 4.362 50 0 JIAAMO O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019928811 555544695 /nfs/dbraw/zinc/54/46/95/555544695.db2.gz OYTFWTGHHTVDLW-UHFFFAOYSA-N 1 1 472.976 4.061 50 0 JIAAMO O=C(C1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009849456 555551416 /nfs/dbraw/zinc/55/14/16/555551416.db2.gz SILSDRRAYNQEKY-UHFFFAOYSA-N 1 1 460.391 4.149 50 0 JIAAMO Cc1[nH]c2ccccc2c1[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000019940151 555558265 /nfs/dbraw/zinc/55/82/65/555558265.db2.gz IWSRKBMDBNICSK-IZZNHLLZSA-N 1 1 465.553 4.405 50 0 JIAAMO O=C1C[C@@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000013689090 555582615 /nfs/dbraw/zinc/58/26/15/555582615.db2.gz ZGKYPAUKBWJUSO-RUZDIDTESA-N 1 1 458.533 4.106 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 ZINC000013774389 555615503 /nfs/dbraw/zinc/61/55/03/555615503.db2.gz PKZKLMXKJKCFKW-CLCOLTQESA-N 1 1 493.991 4.209 50 0 JIAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109066 555644567 /nfs/dbraw/zinc/64/45/67/555644567.db2.gz IWMHQIZAKPNQKC-SXOMAYOGSA-N 1 1 487.575 4.089 50 0 JIAAMO CCOC(=O)c1c(NC(=S)N2CC[NH+](CCc3ccccc3)CC2)sc2c1CCCC2 ZINC000020168460 555679157 /nfs/dbraw/zinc/67/91/57/555679157.db2.gz VEUVGFMXJKVPEY-UHFFFAOYSA-N 1 1 457.665 4.361 50 0 JIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014085115 555683868 /nfs/dbraw/zinc/68/38/68/555683868.db2.gz YOTPOOAGJBPKFK-LJQANCHMSA-N 1 1 476.602 4.388 50 0 JIAAMO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c1)c1ccccc1O2 ZINC000020182086 555689550 /nfs/dbraw/zinc/68/95/50/555689550.db2.gz VSBFDZDMIZCMBK-VAVYLYDRSA-N 1 1 482.584 4.414 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535978 555825034 /nfs/dbraw/zinc/82/50/34/555825034.db2.gz KWCOAHXLHGEEIL-CLCZQPDDSA-N 1 1 489.591 4.351 50 0 JIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CCCCC2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014541175 555831723 /nfs/dbraw/zinc/83/17/23/555831723.db2.gz ODMUQIVMDNVOLN-BJKOFHAPSA-N 1 1 475.633 4.407 50 0 JIAAMO O=C(/C=C/c1cccs1)N1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015063342 555866806 /nfs/dbraw/zinc/86/68/06/555866806.db2.gz LJVUMWFSWGRVKN-ABSORMQESA-N 1 1 451.636 4.125 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCCCC[C@@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015105813 555877053 /nfs/dbraw/zinc/87/70/53/555877053.db2.gz GNPMGRZRTYBHGZ-AREMUKBSSA-N 1 1 450.627 4.393 50 0 JIAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCCCC[C@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015105814 555877074 /nfs/dbraw/zinc/87/70/74/555877074.db2.gz GNPMGRZRTYBHGZ-SANMLTNESA-N 1 1 450.627 4.393 50 0 JIAAMO COCc1ccc(C(=O)NCc2nc(-c3cccc(NC(=O)[C@H]4CCC[N@@H+](C)C4)c3)oc2C)s1 ZINC000011997648 555879697 /nfs/dbraw/zinc/87/96/97/555879697.db2.gz CBHQNQACQKZDGL-SFHVURJKSA-N 1 1 482.606 4.068 50 0 JIAAMO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2)cc1 ZINC000015477182 555910523 /nfs/dbraw/zinc/91/05/23/555910523.db2.gz UPRACXDDZBIFLL-DEOSSOPVSA-N 1 1 497.617 4.436 50 0 JIAAMO COc1cc(C[NH2+][C@H](C)c2nnc3ccccn32)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000015594149 555917734 /nfs/dbraw/zinc/91/77/34/555917734.db2.gz ZFHLCNHHOUJFMG-OAHLLOKOSA-N 1 1 483.931 4.399 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cccc2C)s1 ZINC000012140855 555919851 /nfs/dbraw/zinc/91/98/51/555919851.db2.gz JFWXZYBJUZMJFZ-UHFFFAOYSA-N 1 1 459.637 4.144 50 0 JIAAMO COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)c21 ZINC000012152482 555926398 /nfs/dbraw/zinc/92/63/98/555926398.db2.gz XFNJQCPEWBXRKR-HXUWFJFHSA-N 1 1 483.657 4.052 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cccnc3)[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000012243451 555946651 /nfs/dbraw/zinc/94/66/51/555946651.db2.gz CCHBKYWEZWFNRM-RPWUZVMVSA-N 1 1 451.567 4.281 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cccnc3)[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000012243451 555946653 /nfs/dbraw/zinc/94/66/53/555946653.db2.gz CCHBKYWEZWFNRM-RPWUZVMVSA-N 1 1 451.567 4.281 50 0 JIAAMO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000015681863 555951270 /nfs/dbraw/zinc/95/12/70/555951270.db2.gz IHGZPAGUDZNWAI-UHFFFAOYSA-N 1 1 450.558 4.179 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(SC)c4)CC3)n2)cc1OC ZINC000015726390 555964850 /nfs/dbraw/zinc/96/48/50/555964850.db2.gz STFWUQVYUCOVOF-UHFFFAOYSA-N 1 1 468.579 4.326 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022919370 555973370 /nfs/dbraw/zinc/97/33/70/555973370.db2.gz FWLHZMCLDVOKTC-NRFANRHFSA-N 1 1 471.045 4.354 50 0 JIAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(C)n2)CC3)c1 ZINC000023340435 556047774 /nfs/dbraw/zinc/04/77/74/556047774.db2.gz UCEQJTKYUAECDX-XMMPIXPASA-N 1 1 460.626 4.174 50 0 JIAAMO CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1 ZINC000015880194 556052278 /nfs/dbraw/zinc/05/22/78/556052278.db2.gz YXWOGXIMOSNOIF-UHFFFAOYSA-N 1 1 476.668 4.117 50 0 JIAAMO CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1 ZINC000015880194 556052280 /nfs/dbraw/zinc/05/22/80/556052280.db2.gz YXWOGXIMOSNOIF-UHFFFAOYSA-N 1 1 476.668 4.117 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001675 556106833 /nfs/dbraw/zinc/10/68/33/556106833.db2.gz VSTPGKXOXGIIRZ-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001675 556106838 /nfs/dbraw/zinc/10/68/38/556106838.db2.gz VSTPGKXOXGIIRZ-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000024022637 556116663 /nfs/dbraw/zinc/11/66/63/556116663.db2.gz GRHYRVDULSAIJX-LJAQVGFWSA-N 1 1 496.611 4.226 50 0 JIAAMO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000012909824 556128978 /nfs/dbraw/zinc/12/89/78/556128978.db2.gz CVJCJTHGGKVPLF-SHQCIBLASA-N 1 1 484.575 4.039 50 0 JIAAMO O=C(C[N@H+]1CCCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1)N1CCCC1 ZINC000012948512 556158985 /nfs/dbraw/zinc/15/89/85/556158985.db2.gz WDPZIVFTIBLYRL-UHFFFAOYSA-N 1 1 477.008 4.326 50 0 JIAAMO O=C(C[N@@H+]1CCCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1)N1CCCC1 ZINC000012948512 556158986 /nfs/dbraw/zinc/15/89/86/556158986.db2.gz WDPZIVFTIBLYRL-UHFFFAOYSA-N 1 1 477.008 4.326 50 0 JIAAMO CC[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000025061959 556177427 /nfs/dbraw/zinc/17/74/27/556177427.db2.gz LUEWFYDJRLPDKW-WIYYLYMNSA-N 1 1 458.400 4.367 50 0 JIAAMO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccn3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993563 556197498 /nfs/dbraw/zinc/19/74/98/556197498.db2.gz TUIUDGLBGZPRJP-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccccn3)[NH+]3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000016993471 556197550 /nfs/dbraw/zinc/19/75/50/556197550.db2.gz YPUNOZRBYFKHQM-LJAQVGFWSA-N 1 1 496.611 4.226 50 0 JIAAMO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccc1 ZINC000016993676 556197936 /nfs/dbraw/zinc/19/79/36/556197936.db2.gz DQLITAVFYMZPFO-NDEPHWFRSA-N 1 1 466.585 4.217 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(I)c1 ZINC000013022715 556212472 /nfs/dbraw/zinc/21/24/72/556212472.db2.gz IYPNJOZAEQBWMQ-SFHVURJKSA-N 1 1 478.330 4.228 50 0 JIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(I)c1 ZINC000013022715 556212473 /nfs/dbraw/zinc/21/24/73/556212473.db2.gz IYPNJOZAEQBWMQ-SFHVURJKSA-N 1 1 478.330 4.228 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000029156062 556348032 /nfs/dbraw/zinc/34/80/32/556348032.db2.gz DXNUCWMGAMRILS-NZQKXSOJSA-N 1 1 453.539 4.077 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000029156062 556348036 /nfs/dbraw/zinc/34/80/36/556348036.db2.gz DXNUCWMGAMRILS-NZQKXSOJSA-N 1 1 453.539 4.077 50 0 JIAAMO COC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000032513437 556443822 /nfs/dbraw/zinc/44/38/22/556443822.db2.gz NJTXJNUTEKWAKC-UHFFFAOYSA-N 1 1 480.996 4.036 50 0 JIAAMO COC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000032513437 556443826 /nfs/dbraw/zinc/44/38/26/556443826.db2.gz NJTXJNUTEKWAKC-UHFFFAOYSA-N 1 1 480.996 4.036 50 0 JIAAMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888429 556522791 /nfs/dbraw/zinc/52/27/91/556522791.db2.gz SCOBRXMSOJDQFY-UHFFFAOYSA-N 1 1 477.388 4.318 50 0 JIAAMO CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(CC)cc2)cn3CC)CC1 ZINC000008596660 562944516 /nfs/dbraw/zinc/94/45/16/562944516.db2.gz AOACOAUYPDXDKG-UHFFFAOYSA-N 1 1 485.625 4.088 50 0 JIAAMO COc1ccccc1N1CC[NH+](CCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000053255598 563205502 /nfs/dbraw/zinc/20/55/02/563205502.db2.gz UHDVIHZGYVYYEM-UHFFFAOYSA-N 1 1 481.596 4.078 50 0 JIAAMO O=C(c1cccnc1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055309182 569591425 /nfs/dbraw/zinc/59/14/25/569591425.db2.gz JCRNNQNVVWSDAN-DEOSSOPVSA-N 1 1 488.607 4.474 50 0 JIAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1 ZINC000056928511 569592486 /nfs/dbraw/zinc/59/24/86/569592486.db2.gz ORUXTHSLPUYUHF-UHFFFAOYSA-N 1 1 496.658 4.305 50 0 JIAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1 ZINC000056928511 569592487 /nfs/dbraw/zinc/59/24/87/569592487.db2.gz ORUXTHSLPUYUHF-UHFFFAOYSA-N 1 1 496.658 4.305 50 0 JIAAMO C[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061878114 569609178 /nfs/dbraw/zinc/60/91/78/569609178.db2.gz YBVADDWGTRKBMK-QGZVFWFLSA-N 1 1 456.512 4.282 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000061997769 569609976 /nfs/dbraw/zinc/60/99/76/569609976.db2.gz BEBJGIOVLZEART-VXEOARDBSA-N 1 1 469.566 4.071 50 0 biogenic JIAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CC[N@H+]1CCCC[C@@H]1C)C3=O ZINC000033332087 569624810 /nfs/dbraw/zinc/62/48/10/569624810.db2.gz NWHPHEKDSYMWAD-WTYVLRPYSA-N 1 1 480.653 4.188 50 0 JIAAMO CC[C@@H]1Cn2c(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc3cccc(c32)O1 ZINC000064816580 569633626 /nfs/dbraw/zinc/63/36/26/569633626.db2.gz FNRFSLWZZBLTMF-OAQYLSRUSA-N 1 1 452.986 4.018 50 0 JIAAMO Cc1cccc2c1NC(=O)[C@@]21[C@H](C(=O)c2ccccc2)[C@@]2(c3ccccc3NC2=O)[C@H]2CCC[N@H+]21 ZINC000033870564 569636630 /nfs/dbraw/zinc/63/66/30/569636630.db2.gz NEPASYFAGKCLAO-PJKQZJAASA-N 1 1 463.537 4.010 50 0 JIAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)C2)cc1 ZINC000064859523 569639204 /nfs/dbraw/zinc/63/92/04/569639204.db2.gz VGQVGABCBGMLNO-VWLOTQADSA-N 1 1 480.612 4.314 50 0 JIAAMO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062280 569655763 /nfs/dbraw/zinc/65/57/63/569655763.db2.gz QPLRRSWMYRDXQA-GOSISDBHSA-N 1 1 498.114 4.077 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000034829595 569663097 /nfs/dbraw/zinc/66/30/97/569663097.db2.gz XXPALVIIUXDTOZ-DFBJGRDBSA-N 1 1 453.652 4.191 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CC(C)(C)C ZINC000034829595 569663099 /nfs/dbraw/zinc/66/30/99/569663099.db2.gz XXPALVIIUXDTOZ-DFBJGRDBSA-N 1 1 453.652 4.191 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034829739 569663479 /nfs/dbraw/zinc/66/34/79/569663479.db2.gz QTBRXHCTMXGSEL-HRFSGMKKSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034829739 569663481 /nfs/dbraw/zinc/66/34/81/569663481.db2.gz QTBRXHCTMXGSEL-HRFSGMKKSA-N 1 1 493.698 4.368 50 0 JIAAMO CCCCCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034830466 569663774 /nfs/dbraw/zinc/66/37/74/569663774.db2.gz WQTQKVOSDPBTKQ-SANMLTNESA-N 1 1 471.642 4.476 50 0 JIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000034830480 569663795 /nfs/dbraw/zinc/66/37/95/569663795.db2.gz AQKKMOKKNIHCLH-SANMLTNESA-N 1 1 495.595 4.349 50 0 JIAAMO COc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccc(Cl)cc2)C3=O)CC1 ZINC000067563295 569688515 /nfs/dbraw/zinc/68/85/15/569688515.db2.gz JOPQLRZWWFHIGY-UHFFFAOYSA-N 1 1 475.976 4.467 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)cn2)cc1 ZINC000035403734 569691275 /nfs/dbraw/zinc/69/12/75/569691275.db2.gz JNXDIOOAUSJANR-UHFFFAOYSA-N 1 1 476.024 4.272 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)cn2)cc1 ZINC000035403734 569691276 /nfs/dbraw/zinc/69/12/76/569691276.db2.gz JNXDIOOAUSJANR-UHFFFAOYSA-N 1 1 476.024 4.272 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cn2)cc1 ZINC000035403811 569691329 /nfs/dbraw/zinc/69/13/29/569691329.db2.gz MRHBLSYDKHCHDK-UHFFFAOYSA-N 1 1 476.024 4.272 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cn2)cc1 ZINC000035403811 569691330 /nfs/dbraw/zinc/69/13/30/569691330.db2.gz MRHBLSYDKHCHDK-UHFFFAOYSA-N 1 1 476.024 4.272 50 0 JIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2)C1 ZINC000069615356 569693526 /nfs/dbraw/zinc/69/35/26/569693526.db2.gz LXNKZTMENONOPL-QYAIIROKSA-N 1 1 495.689 4.247 50 0 JIAAMO CCCCn1c2nc(CNc3ccccc3C[N@@H+](C)C3CCCCC3)n(CC)c2c(=O)[nH]c1=O ZINC000069844096 569693815 /nfs/dbraw/zinc/69/38/15/569693815.db2.gz MDNXAXMAHVYDMD-UHFFFAOYSA-N 1 1 466.630 4.083 50 0 JIAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000070017070 569694962 /nfs/dbraw/zinc/69/49/62/569694962.db2.gz MYATWHDSUZQVNR-PKTZIBPZSA-N 1 1 454.567 4.222 50 0 JIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c(OC)c1 ZINC000070017070 569694963 /nfs/dbraw/zinc/69/49/63/569694963.db2.gz MYATWHDSUZQVNR-PKTZIBPZSA-N 1 1 454.567 4.222 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454128 569697415 /nfs/dbraw/zinc/69/74/15/569697415.db2.gz RIQUJRXPXTUFFY-SFHVURJKSA-N 1 1 459.034 4.444 50 0 JIAAMO O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000078718320 569706435 /nfs/dbraw/zinc/70/64/35/569706435.db2.gz XJPMVHOTUMRTPO-KRWDZBQOSA-N 1 1 491.057 4.379 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000035844064 569714809 /nfs/dbraw/zinc/71/48/09/569714809.db2.gz ICVOBUZHHHQLHR-WOZUAGRISA-N 1 1 492.597 4.282 50 0 JIAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000035844064 569714811 /nfs/dbraw/zinc/71/48/11/569714811.db2.gz ICVOBUZHHHQLHR-WOZUAGRISA-N 1 1 492.597 4.282 50 0 JIAAMO COc1ccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)cc1OC ZINC000035870111 569718142 /nfs/dbraw/zinc/71/81/42/569718142.db2.gz GNQYFLBKTXAFGZ-AZGAKELHSA-N 1 1 487.600 4.084 50 0 JIAAMO CC[C@@H](O)C[N@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035887359 569720857 /nfs/dbraw/zinc/72/08/57/569720857.db2.gz RMNOEFAOXODVFZ-XMMPIXPASA-N 1 1 450.602 4.471 50 0 JIAAMO CC[C@@H](O)C[N@@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035887359 569720858 /nfs/dbraw/zinc/72/08/58/569720858.db2.gz RMNOEFAOXODVFZ-XMMPIXPASA-N 1 1 450.602 4.471 50 0 JIAAMO COc1ccc(/C=C/C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)c2)cc1 ZINC000096580406 569741719 /nfs/dbraw/zinc/74/17/19/569741719.db2.gz GFLMDYKICCVBPZ-DDVUFSRBSA-N 1 1 475.570 4.218 50 0 JIAAMO COc1ccc(/C=C/C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)c2)cc1 ZINC000096580406 569741720 /nfs/dbraw/zinc/74/17/20/569741720.db2.gz GFLMDYKICCVBPZ-DDVUFSRBSA-N 1 1 475.570 4.218 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036313366 569760849 /nfs/dbraw/zinc/76/08/49/569760849.db2.gz WRZUQQAWDOLPEO-GGAORHGYSA-N 1 1 497.611 4.496 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346245 569769158 /nfs/dbraw/zinc/76/91/58/569769158.db2.gz ANHHIDBLTGNUAZ-QHCPKHFHSA-N 1 1 471.573 4.346 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346245 569769159 /nfs/dbraw/zinc/76/91/59/569769159.db2.gz ANHHIDBLTGNUAZ-QHCPKHFHSA-N 1 1 471.573 4.346 50 0 JIAAMO CC[C@@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037382558 569785185 /nfs/dbraw/zinc/78/51/85/569785185.db2.gz IPZAKDIBUAPERJ-HXUWFJFHSA-N 1 1 481.666 4.192 50 0 JIAAMO CC[C@@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000037383122 569785344 /nfs/dbraw/zinc/78/53/44/569785344.db2.gz ZALPRMJCPUBDJZ-OAQYLSRUSA-N 1 1 493.627 4.269 50 0 JIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524131 569793051 /nfs/dbraw/zinc/79/30/51/569793051.db2.gz FWTWQTAIOQUQJT-BKMJKUGQSA-N 1 1 472.601 4.190 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101343998 569793893 /nfs/dbraw/zinc/79/38/93/569793893.db2.gz USLXYLBZAWHKFL-VGHKVXAASA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343998 569793894 /nfs/dbraw/zinc/79/38/94/569793894.db2.gz USLXYLBZAWHKFL-VGHKVXAASA-N 1 1 490.774 4.386 50 0 JIAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000040112691 569816312 /nfs/dbraw/zinc/81/63/12/569816312.db2.gz JJIULWSZBTVOOY-GOSISDBHSA-N 1 1 494.057 4.391 50 0 JIAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000040112691 569816313 /nfs/dbraw/zinc/81/63/13/569816313.db2.gz JJIULWSZBTVOOY-GOSISDBHSA-N 1 1 494.057 4.391 50 0 JIAAMO CC(C)N(C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000040152868 569820398 /nfs/dbraw/zinc/82/03/98/569820398.db2.gz ILCCEFSVRFWGOB-VXKWHMMOSA-N 1 1 488.673 4.208 50 0 JIAAMO CC(C)N(C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000040152868 569820399 /nfs/dbraw/zinc/82/03/99/569820399.db2.gz ILCCEFSVRFWGOB-VXKWHMMOSA-N 1 1 488.673 4.208 50 0 JIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3ccccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102774599 569823641 /nfs/dbraw/zinc/82/36/41/569823641.db2.gz NXEUHYNOOZVOSO-GUSUARRKSA-N 1 1 493.563 4.100 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355932 569824090 /nfs/dbraw/zinc/82/40/90/569824090.db2.gz XYLDCUHMQMOTAB-CQSZACIVSA-N 1 1 454.518 4.409 50 0 JIAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000103320521 569834651 /nfs/dbraw/zinc/83/46/51/569834651.db2.gz BFTOAIDZNXQKFY-DEOSSOPVSA-N 1 1 482.650 4.112 50 0 JIAAMO Clc1ccc(OCC[NH+]2CCN(c3ccc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 ZINC000046913516 569845222 /nfs/dbraw/zinc/84/52/22/569845222.db2.gz IHBSYXIVHPYHET-UHFFFAOYSA-N 1 1 462.941 4.048 50 0 JIAAMO O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104915901 569846906 /nfs/dbraw/zinc/84/69/06/569846906.db2.gz ALJSKGSQXGYHJU-JTHBVZDNSA-N 1 1 461.503 4.234 50 0 JIAAMO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000105003325 569849155 /nfs/dbraw/zinc/84/91/55/569849155.db2.gz DIYPUTZVJLJPAR-RDGATRHJSA-N 1 1 486.678 4.096 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105012100 569851124 /nfs/dbraw/zinc/85/11/24/569851124.db2.gz QXFAKHFMUYPBCO-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105012100 569851126 /nfs/dbraw/zinc/85/11/26/569851126.db2.gz QXFAKHFMUYPBCO-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1 ZINC000106531957 569854244 /nfs/dbraw/zinc/85/42/44/569854244.db2.gz CHADOWLPNHLXKW-AKHKVZJXSA-N 1 1 452.643 4.302 50 0 JIAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000169677589 569868789 /nfs/dbraw/zinc/86/87/89/569868789.db2.gz UBYONQYODIYKGW-AZGAKELHSA-N 1 1 479.621 4.118 50 0 JIAAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678737 569869312 /nfs/dbraw/zinc/86/93/12/569869312.db2.gz BPDONTXWXLGIGU-RSXGOPAZSA-N 1 1 494.561 4.322 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)cc1OC ZINC000169678946 569869377 /nfs/dbraw/zinc/86/93/77/569869377.db2.gz GNQYFLBKTXAFGZ-RSXGOPAZSA-N 1 1 487.600 4.084 50 0 JIAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000169679126 569869469 /nfs/dbraw/zinc/86/94/69/569869469.db2.gz WRZUQQAWDOLPEO-JTHBVZDNSA-N 1 1 497.611 4.496 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679868 569869914 /nfs/dbraw/zinc/86/99/14/569869914.db2.gz JTZPNCKXXBTKKS-RXFWQSSRSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@@H](C)C2)cc1 ZINC000169679868 569869915 /nfs/dbraw/zinc/86/99/15/569869915.db2.gz JTZPNCKXXBTKKS-RXFWQSSRSA-N 1 1 467.679 4.500 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COCC(C)C ZINC000169680132 569870159 /nfs/dbraw/zinc/87/01/59/569870159.db2.gz MNLCDKAECTVZEK-ISKFKSNPSA-N 1 1 488.694 4.225 50 0 JIAAMO COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169681766 569870855 /nfs/dbraw/zinc/87/08/55/569870855.db2.gz UIZAPOUNWAUTMS-XCZPVHLTSA-N 1 1 473.592 4.056 50 0 JIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)cc1 ZINC000169681984 569870944 /nfs/dbraw/zinc/87/09/44/569870944.db2.gz GABOQKQKKIPFTH-RCZVLFRGSA-N 1 1 486.678 4.059 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cc(OC)ccc1OC)C[C@@H]1CCC[N@@H+]12 ZINC000227021338 570039697 /nfs/dbraw/zinc/03/96/97/570039697.db2.gz MEJAFJGVDROWMR-WEVXLUSXSA-N 1 1 469.969 4.042 50 0 JIAAMO CCN1c2ccc(Cl)cc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cc(OC)ccc1OC)C[C@@H]1CCC[N@H+]12 ZINC000227021338 570039699 /nfs/dbraw/zinc/03/96/99/570039699.db2.gz MEJAFJGVDROWMR-WEVXLUSXSA-N 1 1 469.969 4.042 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000239235501 570049705 /nfs/dbraw/zinc/04/97/05/570049705.db2.gz WBXVAXJMDKXTKO-IWNAYQHTSA-N 1 1 470.500 4.463 50 0 JIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000239235501 570049706 /nfs/dbraw/zinc/04/97/06/570049706.db2.gz WBXVAXJMDKXTKO-IWNAYQHTSA-N 1 1 470.500 4.463 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245246081 570059238 /nfs/dbraw/zinc/05/92/38/570059238.db2.gz HOXQVKPXIPYTRW-RAZUEPIFSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245246081 570059240 /nfs/dbraw/zinc/05/92/40/570059240.db2.gz HOXQVKPXIPYTRW-RAZUEPIFSA-N 1 1 470.356 4.041 50 0 JIAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245255089 570059882 /nfs/dbraw/zinc/05/98/82/570059882.db2.gz FLEJDNAIIQAFEC-RTAAPDIRSA-N 1 1 497.982 4.366 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000245280384 570061877 /nfs/dbraw/zinc/06/18/77/570061877.db2.gz OTQJFGCEUSJNMA-ILBGXUMGSA-N 1 1 478.564 4.407 50 0 JIAAMO CCC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)CC(C)C ZINC000245327438 570065267 /nfs/dbraw/zinc/06/52/67/570065267.db2.gz JHQVMWAYPBUIIJ-HYBUGGRVSA-N 1 1 474.667 4.381 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000245328365 570065708 /nfs/dbraw/zinc/06/57/08/570065708.db2.gz OAZQUOIMVVTVEA-RXFWQSSRSA-N 1 1 465.663 4.335 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000245328365 570065709 /nfs/dbraw/zinc/06/57/09/570065709.db2.gz OAZQUOIMVVTVEA-RXFWQSSRSA-N 1 1 465.663 4.335 50 0 JIAAMO Cn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000247962433 570071662 /nfs/dbraw/zinc/07/16/62/570071662.db2.gz FZQBGIDOOHXUHT-UHFFFAOYSA-N 1 1 486.447 4.441 50 0 JIAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000248024428 570072832 /nfs/dbraw/zinc/07/28/32/570072832.db2.gz VUBMPYPFGXDPNR-NRFANRHFSA-N 1 1 463.601 4.317 50 0 JIAAMO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000248243404 570076567 /nfs/dbraw/zinc/07/65/67/570076567.db2.gz KFSXJKIUVUBXHR-IDNYDCHQSA-N 1 1 466.578 4.179 50 0 JIAAMO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000248243404 570076568 /nfs/dbraw/zinc/07/65/68/570076568.db2.gz KFSXJKIUVUBXHR-IDNYDCHQSA-N 1 1 466.578 4.179 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248334168 570077913 /nfs/dbraw/zinc/07/79/13/570077913.db2.gz LFTONDLZUNVIIA-ZEMPLXOASA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248343086 570078251 /nfs/dbraw/zinc/07/82/51/570078251.db2.gz ZKZUDSGOXJNPSH-RAZUEPIFSA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000249700679 570078699 /nfs/dbraw/zinc/07/86/99/570078699.db2.gz XTEMPDFMPRQZLZ-HXUWFJFHSA-N 1 1 466.029 4.270 50 0 JIAAMO Cc1cc(=O)oc2c3c(cc(OCC(=O)N(C)C[C@@H]4CCC[N@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000253411999 570097836 /nfs/dbraw/zinc/09/78/36/570097836.db2.gz POLNJRBRJAQFIG-PZJWPPBQSA-N 1 1 482.621 4.307 50 0 JIAAMO CCOC(=O)C1CC[NH+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccccc2C)CC1 ZINC000299782189 570176457 /nfs/dbraw/zinc/17/64/57/570176457.db2.gz WWBYFYASVUNADS-UHFFFAOYSA-N 1 1 495.601 4.419 50 0 JIAAMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000001319780 194083796 /nfs/dbraw/zinc/08/37/96/194083796.db2.gz RMRJXGBAOAMLHD-IHFGGWKQSA-N 1 1 467.650 4.414 50 0 fda JIAAMO C[N@@H+](CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670374 194358018 /nfs/dbraw/zinc/35/80/18/194358018.db2.gz PTCFZVINMUHCGB-RUZDIDTESA-N 1 1 499.398 4.439 50 0 JIAAMO CC[N@@H+](CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)Cc1ccccc1 ZINC000009405665 194745001 /nfs/dbraw/zinc/74/50/01/194745001.db2.gz BCZPZHPQAODNTE-UHFFFAOYSA-N 1 1 452.624 4.135 50 0 JIAAMO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000009408728 194751345 /nfs/dbraw/zinc/75/13/45/194751345.db2.gz DTNXXURHARMYBF-DHIUTWEWSA-N 1 1 462.059 4.369 50 0 JIAAMO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000009919584 195023418 /nfs/dbraw/zinc/02/34/18/195023418.db2.gz WSPMQUDQJWSJBA-UHFFFAOYSA-N 1 1 451.592 4.048 50 0 JIAAMO O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012633859 195065630 /nfs/dbraw/zinc/06/56/30/195065630.db2.gz IPLCLRQOMQSYPF-UHFFFAOYSA-N 1 1 497.690 4.239 50 0 JIAAMO Cc1cc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1Br ZINC000012894065 195174414 /nfs/dbraw/zinc/17/44/14/195174414.db2.gz USDMZARZSPMUOB-UHFFFAOYSA-N 1 1 471.321 4.322 50 0 JIAAMO Cc1cc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1Br ZINC000012894065 195174417 /nfs/dbraw/zinc/17/44/17/195174417.db2.gz USDMZARZSPMUOB-UHFFFAOYSA-N 1 1 471.321 4.322 50 0 JIAAMO COc1ccc(C[N@@H+](C[C@H](C)O)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000012863188 195160205 /nfs/dbraw/zinc/16/02/05/195160205.db2.gz BEGSCXDXADKEKJ-ZGBCTBKKSA-N 1 1 457.611 4.201 50 0 biogenic JIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000020681059 195203999 /nfs/dbraw/zinc/20/39/99/195203999.db2.gz XGKRWIQVEXUPCX-UHFFFAOYSA-N 1 1 487.625 4.450 50 0 JIAAMO CCN1CC[NH+](C[C@H](O)CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)CC1 ZINC000020828659 195229690 /nfs/dbraw/zinc/22/96/90/195229690.db2.gz TWVJVHCTCLPIGE-CUBQBAPOSA-N 1 1 464.698 4.380 50 0 JIAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2nccs2)C1 ZINC000020907093 195245451 /nfs/dbraw/zinc/24/54/51/195245451.db2.gz SIFPOBOIYSBXLV-SFHVURJKSA-N 1 1 479.602 4.466 50 0 JIAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c1 ZINC000020907730 195245532 /nfs/dbraw/zinc/24/55/32/195245532.db2.gz XFMYYLJWJHYWCW-UHFFFAOYSA-N 1 1 469.564 4.381 50 0 JIAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CCC(C)C)C3=O ZINC000020918469 195247178 /nfs/dbraw/zinc/24/71/78/195247178.db2.gz WWCXLMRPOQKOEJ-KERYWQKISA-N 1 1 496.696 4.395 50 0 JIAAMO CCOc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccccc2F)C3=O)CC1 ZINC000020857930 195232374 /nfs/dbraw/zinc/23/23/74/195232374.db2.gz PVHMGOXBWVJVHH-UHFFFAOYSA-N 1 1 473.548 4.343 50 0 JIAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000020893252 195237893 /nfs/dbraw/zinc/23/78/93/195237893.db2.gz GMXALOPXXCMPJC-UHFFFAOYSA-N 1 1 463.538 4.278 50 0 JIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000020927472 195249583 /nfs/dbraw/zinc/24/95/83/195249583.db2.gz QFHWORLJUGBCAV-UHFFFAOYSA-N 1 1 470.595 4.264 50 0 JIAAMO CN(C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)OC(C)(C)C ZINC000058229388 195374709 /nfs/dbraw/zinc/37/47/09/195374709.db2.gz OWYYOXLTZRJRQU-GOSISDBHSA-N 1 1 459.587 4.246 50 0 JIAAMO CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)OC(C)(C)C ZINC000058229388 195374712 /nfs/dbraw/zinc/37/47/12/195374712.db2.gz OWYYOXLTZRJRQU-GOSISDBHSA-N 1 1 459.587 4.246 50 0 JIAAMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000058266583 195375415 /nfs/dbraw/zinc/37/54/15/195375415.db2.gz BKEGURDYMHCNIV-DEOSSOPVSA-N 1 1 450.926 4.082 50 0 JIAAMO CCC[N@H+]1Cc2ccc(NC(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)cc2C1 ZINC000096315809 130058457 /nfs/dbraw/zinc/05/84/57/130058457.db2.gz YMHKOMZJENTUNY-VBKFSLOCSA-N 1 1 453.608 4.063 50 0 JIAAMO CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000033502286 519011299 /nfs/dbraw/zinc/01/12/99/519011299.db2.gz AZGNSMCBRSOHOA-XQNSMLJCSA-N 1 1 477.630 4.195 50 0 JIAAMO CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000033502286 519011308 /nfs/dbraw/zinc/01/13/08/519011308.db2.gz AZGNSMCBRSOHOA-XQNSMLJCSA-N 1 1 477.630 4.195 50 0 JIAAMO CC(C)[N@@H+](CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)Cc1ccccc1 ZINC000021868259 519643035 /nfs/dbraw/zinc/64/30/35/519643035.db2.gz XGSNMWWNTHUZKI-UHFFFAOYSA-N 1 1 465.550 4.004 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036306851 520093501 /nfs/dbraw/zinc/09/35/01/520093501.db2.gz BMUXZGFXTRAJCT-VXKWHMMOSA-N 1 1 483.584 4.397 50 0 JIAAMO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014731899 520664769 /nfs/dbraw/zinc/66/47/69/520664769.db2.gz DFSRVHNPJAEQOO-LEWJYISDSA-N 1 1 458.574 4.276 50 0 JIAAMO CC[N@H+]1CC[C@H](CN(C)C(=O)c2cc(NC(=O)C(C)C)cc3nc(C)n(Cc4ccccc4)c32)C1 ZINC000014983383 521716227 /nfs/dbraw/zinc/71/62/27/521716227.db2.gz UELAMMYFKYMWIA-JOCHJYFZSA-N 1 1 475.637 4.401 50 0 JIAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000020452953 521774251 /nfs/dbraw/zinc/77/42/51/521774251.db2.gz WTBKVMQLWPJHHO-UHFFFAOYSA-N 1 1 489.616 4.223 50 0 JIAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2Cl)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697640 522064528 /nfs/dbraw/zinc/06/45/28/522064528.db2.gz IAPCCWWXFCYDQR-VWLOTQADSA-N 1 1 485.987 4.213 50 0 JIAAMO COc1cc(NC(=O)C2(N(C=O)C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCCCC2)cc(OC)c1 ZINC000033435677 522646615 /nfs/dbraw/zinc/64/66/15/522646615.db2.gz JLPYNQCQUQSIHQ-RDPSFJRHSA-N 1 1 457.615 4.068 50 0 JIAAMO COc1cc(NC(=O)C2(N(C=O)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CCCCC2)cc(OC)c1 ZINC000043883938 522646664 /nfs/dbraw/zinc/64/66/64/522646664.db2.gz JLPYNQCQUQSIHQ-GBXCKJPGSA-N 1 1 457.615 4.068 50 0 JIAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@H]34)C(C)=O)CCCCC2)cc(OC)c1 ZINC000043883946 522646992 /nfs/dbraw/zinc/64/69/92/522646992.db2.gz WREUVRAFUVFBKL-PXDATVDWSA-N 1 1 471.642 4.458 50 0 JIAAMO CCc1nnc(-c2ccc3ccn(CC(=O)Nc4ccc(C[NH+]5CCN(CC)CC5)cc4)c3c2)o1 ZINC000035462329 522718870 /nfs/dbraw/zinc/71/88/70/522718870.db2.gz YLAWODDRNOBPOE-UHFFFAOYSA-N 1 1 472.593 4.030 50 0 JIAAMO C[N@@H+](CCn1cc(C(=O)N2CCSCC2)nn1)Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000014964546 522997513 /nfs/dbraw/zinc/99/75/13/522997513.db2.gz BAQTYLHQGWMLDO-UHFFFAOYSA-N 1 1 472.014 4.045 50 0 JIAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012338220 523181543 /nfs/dbraw/zinc/18/15/43/523181543.db2.gz AQIIEIQMIANZFF-UHFFFAOYSA-N 1 1 458.484 4.339 50 0 JIAAMO CC[C@]1(C2CC[NH+](Cc3cccc(F)c3F)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000012455349 523606857 /nfs/dbraw/zinc/60/68/57/523606857.db2.gz IZKGNIVQNGTHTR-AREMUKBSSA-N 1 1 471.548 4.129 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)C(C)C ZINC000036305995 523736021 /nfs/dbraw/zinc/73/60/21/523736021.db2.gz GIWLBYMNTNSPIM-DEOSSOPVSA-N 1 1 453.583 4.353 50 0 JIAAMO CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000033288337 524009004 /nfs/dbraw/zinc/00/90/04/524009004.db2.gz DEPYHNNGCWFGOL-HXUWFJFHSA-N 1 1 451.615 4.038 50 0 JIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095868 524014814 /nfs/dbraw/zinc/01/48/14/524014814.db2.gz MLISGACYGYSOIP-HSZRJFAPSA-N 1 1 465.546 4.012 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)cc1 ZINC000014744972 524038784 /nfs/dbraw/zinc/03/87/84/524038784.db2.gz QDAIDQTUKCUSBU-UHFFFAOYSA-N 1 1 481.600 4.018 50 0 JIAAMO COc1ccc(C[N@H+]2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)cc1 ZINC000014744972 524038788 /nfs/dbraw/zinc/03/87/88/524038788.db2.gz QDAIDQTUKCUSBU-UHFFFAOYSA-N 1 1 481.600 4.018 50 0 JIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260165 524101196 /nfs/dbraw/zinc/10/11/96/524101196.db2.gz ZTDQDLWYTXWSCL-LJQANCHMSA-N 1 1 496.059 4.042 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000043727099 524216268 /nfs/dbraw/zinc/21/62/68/524216268.db2.gz QYHBXRKBQHUVCN-LRSLUSHPSA-N 1 1 464.949 4.479 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000043727099 524216276 /nfs/dbraw/zinc/21/62/76/524216276.db2.gz QYHBXRKBQHUVCN-LRSLUSHPSA-N 1 1 464.949 4.479 50 0 JIAAMO Cc1cccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)s2)c1 ZINC000033031859 524767460 /nfs/dbraw/zinc/76/74/60/524767460.db2.gz MLXOZLGTULKKHA-LJQANCHMSA-N 1 1 493.633 4.282 50 0 JIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccc(Cl)cc3)C2)cc1 ZINC000012470055 525108708 /nfs/dbraw/zinc/10/87/08/525108708.db2.gz QLBXPKGQAMBUKG-RPWUZVMVSA-N 1 1 474.070 4.248 50 0 JIAAMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(C)c1 ZINC000033280355 525716564 /nfs/dbraw/zinc/71/65/64/525716564.db2.gz ZTHWNHMUKURZOZ-JOCHJYFZSA-N 1 1 499.659 4.322 50 0 JIAAMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)c(C)c1 ZINC000033280355 525716574 /nfs/dbraw/zinc/71/65/74/525716574.db2.gz ZTHWNHMUKURZOZ-JOCHJYFZSA-N 1 1 499.659 4.322 50 0 JIAAMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280358 525910248 /nfs/dbraw/zinc/91/02/48/525910248.db2.gz UVDIPHRXDKMEGP-QFIPXVFZSA-N 1 1 499.659 4.322 50 0 JIAAMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1C ZINC000033280358 525910257 /nfs/dbraw/zinc/91/02/57/525910257.db2.gz UVDIPHRXDKMEGP-QFIPXVFZSA-N 1 1 499.659 4.322 50 0 JIAAMO COc1cccc(C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146339 525924490 /nfs/dbraw/zinc/92/44/90/525924490.db2.gz YQSBJWPSPTVLDH-UPVQGACJSA-N 1 1 461.002 4.377 50 0 JIAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(CC(C)C)cc2)CC3)c(C)c1 ZINC000014879738 526172819 /nfs/dbraw/zinc/17/28/19/526172819.db2.gz KNVULNDFZNTNBW-UHFFFAOYSA-N 1 1 459.638 4.124 50 0 JIAAMO Cc1nnc(SCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1-c1ccccc1 ZINC000012515266 526377597 /nfs/dbraw/zinc/37/75/97/526377597.db2.gz MIWIZMAFQKDALE-UHFFFAOYSA-N 1 1 457.603 4.165 50 0 JIAAMO O=C([C@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014951035 526529838 /nfs/dbraw/zinc/52/98/38/526529838.db2.gz IIIMLGKGLFETOV-RUZDIDTESA-N 1 1 492.063 4.345 50 0 JIAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1ccccc1I ZINC000022816773 526776973 /nfs/dbraw/zinc/77/69/73/526776973.db2.gz UDIGKLHFNXNDHV-UHFFFAOYSA-N 1 1 491.398 4.262 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014747369 527203384 /nfs/dbraw/zinc/20/33/84/527203384.db2.gz ASIWWRULQXQMLV-XZOQPEGZSA-N 1 1 477.555 4.401 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)Nc1ccc(F)cc1 ZINC000035456517 527350747 /nfs/dbraw/zinc/35/07/47/527350747.db2.gz DLYGXRJJUOVKCF-UHFFFAOYSA-N 1 1 486.522 4.386 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccc(F)cc1 ZINC000035456517 527350750 /nfs/dbraw/zinc/35/07/50/527350750.db2.gz DLYGXRJJUOVKCF-UHFFFAOYSA-N 1 1 486.522 4.386 50 0 JIAAMO O=C(NCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000021782048 527658066 /nfs/dbraw/zinc/65/80/66/527658066.db2.gz LDUORKBBOMAYLT-HXUWFJFHSA-N 1 1 499.706 4.157 50 0 JIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000008610772 527667529 /nfs/dbraw/zinc/66/75/29/527667529.db2.gz FMVOMLQFILXKMF-UHFFFAOYSA-N 1 1 463.582 4.168 50 0 JIAAMO CCCn1c(C(=O)N2CC[NH+](CC)CC2)cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000096276408 535583032 /nfs/dbraw/zinc/58/30/32/535583032.db2.gz DHCSCBQWEVDNPJ-UHFFFAOYSA-N 1 1 489.041 4.283 50 0 JIAAMO Cc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3cc(Br)ccc3n2)cc1C ZINC000002773400 554338209 /nfs/dbraw/zinc/33/82/09/554338209.db2.gz JRRYTYOVUWJHKB-UHFFFAOYSA-N 1 1 453.384 4.173 50 0 JIAAMO COc1c(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1Br ZINC000008429898 554582914 /nfs/dbraw/zinc/58/29/14/554582914.db2.gz PLOYHUSTYYBLJO-OAHLLOKOSA-N 1 1 487.217 4.124 50 0 JIAAMO COc1c(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1Br ZINC000008429898 554582915 /nfs/dbraw/zinc/58/29/15/554582915.db2.gz PLOYHUSTYYBLJO-OAHLLOKOSA-N 1 1 487.217 4.124 50 0 JIAAMO COc1ccc(-c2coc3cc(OCC[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)ccc3c2=O)cc1 ZINC000008877851 554773341 /nfs/dbraw/zinc/77/33/41/554773341.db2.gz SGDMNMGKDVFKQX-CTNGQTDRSA-N 1 1 484.552 4.128 50 0 biogenic JIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933100 554826893 /nfs/dbraw/zinc/82/68/93/554826893.db2.gz KBWZOCQSFKHPLO-SZPZYZBQSA-N 1 1 485.632 4.169 50 0 JIAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008965368 554839728 /nfs/dbraw/zinc/83/97/28/554839728.db2.gz SGHAUXCCPXTDNH-OYRHEFFESA-N 1 1 477.653 4.068 50 0 JIAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000009115591 554902585 /nfs/dbraw/zinc/90/25/85/554902585.db2.gz GLRNLDDVUKNQJG-HHHXNRCGSA-N 1 1 455.418 4.202 50 0 JIAAMO O=S(=O)(c1nnn2c1nc(NC1CC[NH+](Cc3ccccc3)CC1)c1ccccc12)c1ccccc1 ZINC000009152459 554940538 /nfs/dbraw/zinc/94/05/38/554940538.db2.gz MJBXKUSBMWNPHV-UHFFFAOYSA-N 1 1 498.612 4.187 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432636 555202017 /nfs/dbraw/zinc/20/20/17/555202017.db2.gz MVJYPSCYAKAIAT-NIJXNBFTSA-N 1 1 483.678 4.446 50 0 JIAAMO O=C(Cc1ccccc1)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013464655 555401602 /nfs/dbraw/zinc/40/16/02/555401602.db2.gz GOGOJBIKBQZIEI-UHFFFAOYSA-N 1 1 481.640 4.402 50 0 JIAAMO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)CCc3ccc(OC)c(OC)c3)c2c1 ZINC000009597202 555413709 /nfs/dbraw/zinc/41/37/09/555413709.db2.gz SWZBOXPGBDDORB-UHFFFAOYSA-N 1 1 493.651 4.143 50 0 JIAAMO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)CCc3ccc(OC)c(OC)c3)c2c1 ZINC000009597202 555413711 /nfs/dbraw/zinc/41/37/11/555413711.db2.gz SWZBOXPGBDDORB-UHFFFAOYSA-N 1 1 493.651 4.143 50 0 JIAAMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009728975 555463495 /nfs/dbraw/zinc/46/34/95/555463495.db2.gz HVKDUJKRYLRQTN-IBGZPJMESA-N 1 1 477.652 4.097 50 0 JIAAMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009728975 555463497 /nfs/dbraw/zinc/46/34/97/555463497.db2.gz HVKDUJKRYLRQTN-IBGZPJMESA-N 1 1 477.652 4.097 50 0 JIAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000009730120 555464973 /nfs/dbraw/zinc/46/49/73/555464973.db2.gz UIMRXVKXPRYORC-QFIPXVFZSA-N 1 1 462.015 4.072 50 0 JIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000009731534 555468757 /nfs/dbraw/zinc/46/87/57/555468757.db2.gz NCZLAPPXYQEZAA-SFHVURJKSA-N 1 1 497.455 4.400 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000013555555 555493691 /nfs/dbraw/zinc/49/36/91/555493691.db2.gz CBZQWYRTRFBCSD-BAAZAXTHSA-N 1 1 495.554 4.457 50 0 JIAAMO COc1ccccc1C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000019839898 555508235 /nfs/dbraw/zinc/50/82/35/555508235.db2.gz FOKYFTDRVNSKGY-UHFFFAOYSA-N 1 1 496.615 4.043 50 0 JIAAMO CCc1cc([C@H](c2ccc(F)cc2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880684 555525951 /nfs/dbraw/zinc/52/59/51/555525951.db2.gz ALGFONOIJDGYHL-DEOSSOPVSA-N 1 1 467.610 4.401 50 0 JIAAMO Cc1nonc1C[N@@H+](C)[C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000019939747 555557795 /nfs/dbraw/zinc/55/77/95/555557795.db2.gz KSEMGDOMUZLPFR-MRXNPFEDSA-N 1 1 489.523 4.206 50 0 JIAAMO Cc1nonc1C[N@H+](C)[C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000019939747 555557798 /nfs/dbraw/zinc/55/77/98/555557798.db2.gz KSEMGDOMUZLPFR-MRXNPFEDSA-N 1 1 489.523 4.206 50 0 JIAAMO CC[NH+]1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)Sc3ccccc32)CC1 ZINC000020181563 555688832 /nfs/dbraw/zinc/68/88/32/555688832.db2.gz WUCOFHXADHPUOL-RCCKNPSSSA-N 1 1 475.536 4.349 50 0 JIAAMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](CCO)CC2)cc1 ZINC000020193391 555694715 /nfs/dbraw/zinc/69/47/15/555694715.db2.gz AJTMWWHJGXMIEL-RUZDIDTESA-N 1 1 479.646 4.325 50 0 JIAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014125828 555696793 /nfs/dbraw/zinc/69/67/93/555696793.db2.gz DVVPYJJIBMRJOF-UHFFFAOYSA-N 1 1 458.484 4.456 50 0 JIAAMO COC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014125828 555696796 /nfs/dbraw/zinc/69/67/96/555696796.db2.gz DVVPYJJIBMRJOF-UHFFFAOYSA-N 1 1 458.484 4.456 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000014200404 555732008 /nfs/dbraw/zinc/73/20/08/555732008.db2.gz JNJODGWEEORRBG-ZIAGYGMSSA-N 1 1 458.411 4.230 50 0 JIAAMO COc1cccc(C2=NO[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000020274135 555749389 /nfs/dbraw/zinc/74/93/89/555749389.db2.gz VJYBVVRXIQGRNJ-AREMUKBSSA-N 1 1 455.558 4.122 50 0 JIAAMO COc1ccccc1C1=NO[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000020274777 555749720 /nfs/dbraw/zinc/74/97/20/555749720.db2.gz QMYPIDNQNZULIQ-SANMLTNESA-N 1 1 455.558 4.122 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccccc1OC(F)(F)F ZINC000011287692 555771052 /nfs/dbraw/zinc/77/10/52/555771052.db2.gz IKWCRECEEXYXTQ-SFHVURJKSA-N 1 1 450.457 4.200 50 0 JIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccccc1OC(F)(F)F ZINC000011287692 555771059 /nfs/dbraw/zinc/77/10/59/555771059.db2.gz IKWCRECEEXYXTQ-SFHVURJKSA-N 1 1 450.457 4.200 50 0 JIAAMO CCN1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)Cc4nc5cc(C)c(C)cc5[nH]4)CC3)cc2)CC1 ZINC000011784805 555816483 /nfs/dbraw/zinc/81/64/83/555816483.db2.gz WGDKDOGHOBYFIG-UHFFFAOYSA-N 1 1 488.680 4.058 50 0 JIAAMO CCOC(=O)C1CC[NH+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2ccc(C)cc2)CC1 ZINC000011786566 555819967 /nfs/dbraw/zinc/81/99/67/555819967.db2.gz FYOOLGVATZKWGU-UHFFFAOYSA-N 1 1 495.601 4.419 50 0 JIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NC3CCCC3)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014535608 555824692 /nfs/dbraw/zinc/82/46/92/555824692.db2.gz FNXCPTOMJIVRFZ-LEWJYISDSA-N 1 1 470.585 4.419 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3c(c(C(=O)NCCCc4ccccc4)nn3Cc3ccncc3)C2)cc1 ZINC000014542143 555833029 /nfs/dbraw/zinc/83/30/29/555833029.db2.gz ZKGRVMBCMCFNKY-UHFFFAOYSA-N 1 1 495.627 4.256 50 0 JIAAMO COc1ccc(C[N@H+]2CCc3c(c(C(=O)NCCCc4ccccc4)nn3Cc3ccncc3)C2)cc1 ZINC000014542143 555833031 /nfs/dbraw/zinc/83/30/31/555833031.db2.gz ZKGRVMBCMCFNKY-UHFFFAOYSA-N 1 1 495.627 4.256 50 0 JIAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000014989980 555842314 /nfs/dbraw/zinc/84/23/14/555842314.db2.gz GBAPVEDTDCEJBL-JOCHJYFZSA-N 1 1 459.638 4.345 50 0 JIAAMO Cc1c(C(=O)N2CCC([N@H+]3CCC[C@H](O)C3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000015002760 555847997 /nfs/dbraw/zinc/84/79/97/555847997.db2.gz KJFWAENYQZHRMD-NRFANRHFSA-N 1 1 483.682 4.363 50 0 JIAAMO C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)COc1ccccc1Cl)CCO2 ZINC000011909900 555857026 /nfs/dbraw/zinc/85/70/26/555857026.db2.gz FCPGGQTYIJIXEB-UHFFFAOYSA-N 1 1 465.981 4.210 50 0 JIAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](C[C@H](C)CCC=C(C)C)CC2 ZINC000012034447 555887974 /nfs/dbraw/zinc/88/79/74/555887974.db2.gz WSLOCQSMNAYHER-OAQYLSRUSA-N 1 1 481.637 4.036 50 0 JIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000015521230 555913209 /nfs/dbraw/zinc/91/32/09/555913209.db2.gz IDHOGXMQNHOQJG-UHFFFAOYSA-N 1 1 466.607 4.278 50 0 JIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000015521230 555913212 /nfs/dbraw/zinc/91/32/12/555913212.db2.gz IDHOGXMQNHOQJG-UHFFFAOYSA-N 1 1 466.607 4.278 50 0 JIAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000015671354 555928406 /nfs/dbraw/zinc/92/84/06/555928406.db2.gz BHFCLHXLPRYDHT-UHFFFAOYSA-N 1 1 467.595 4.091 50 0 JIAAMO CCOC(=O)C1CC[NH+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)c2cccc(C)c2)CC1 ZINC000012190582 555937826 /nfs/dbraw/zinc/93/78/26/555937826.db2.gz ZKGZCGGUUXTJRK-UHFFFAOYSA-N 1 1 495.601 4.419 50 0 JIAAMO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726075 555963021 /nfs/dbraw/zinc/96/30/21/555963021.db2.gz XKAAXQQDSOINLU-SFHVURJKSA-N 1 1 466.538 4.003 50 0 JIAAMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2)cc1 ZINC000015726075 555963024 /nfs/dbraw/zinc/96/30/24/555963024.db2.gz XKAAXQQDSOINLU-SFHVURJKSA-N 1 1 466.538 4.003 50 0 JIAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000022912668 555968089 /nfs/dbraw/zinc/96/80/89/555968089.db2.gz HJRBGYXSJWPFGL-UHFFFAOYSA-N 1 1 463.409 4.195 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022928489 555979376 /nfs/dbraw/zinc/97/93/76/555979376.db2.gz MMLZOHRQCQHDQG-UGKGYDQZSA-N 1 1 464.635 4.011 50 0 JIAAMO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c2)c1 ZINC000012521028 555991789 /nfs/dbraw/zinc/99/17/89/555991789.db2.gz DEKOLJZAKMFKML-HSZRJFAPSA-N 1 1 467.591 4.346 50 0 JIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000015821263 556009647 /nfs/dbraw/zinc/00/96/47/556009647.db2.gz NLYPBGAJOQCDKE-UHFFFAOYSA-N 1 1 498.048 4.188 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012588569 556084936 /nfs/dbraw/zinc/08/49/36/556084936.db2.gz PHGDKKCGIQCKKC-RUZDIDTESA-N 1 1 457.574 4.143 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010055 556109004 /nfs/dbraw/zinc/10/90/04/556109004.db2.gz XIGJBBAUJUHLHZ-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010055 556109007 /nfs/dbraw/zinc/10/90/07/556109007.db2.gz XIGJBBAUJUHLHZ-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO CCn1c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023983800 556112140 /nfs/dbraw/zinc/11/21/40/556112140.db2.gz IXCKYTKXJIMPLS-HSZRJFAPSA-N 1 1 454.621 4.247 50 0 JIAAMO Cc1cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000016993704 556198003 /nfs/dbraw/zinc/19/80/03/556198003.db2.gz SQAYDIFFGUCJLU-MUUNZHRXSA-N 1 1 484.575 4.356 50 0 JIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)[nH+]1 ZINC000017012442 556202444 /nfs/dbraw/zinc/20/24/44/556202444.db2.gz HRXYKIAJUHEKQR-UHFFFAOYSA-N 1 1 452.356 4.254 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000017296925 556252168 /nfs/dbraw/zinc/25/21/68/556252168.db2.gz ATZIOCGIMVAHPV-SANMLTNESA-N 1 1 478.564 4.414 50 0 JIAAMO O=C(CN1C(=S)N=NC1c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017356590 556259478 /nfs/dbraw/zinc/25/94/78/556259478.db2.gz DUSZWFOIAXYKKP-UHFFFAOYSA-N 1 1 475.643 4.229 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)C1 ZINC000013069448 556266188 /nfs/dbraw/zinc/26/61/88/556266188.db2.gz YXJPCDWYTDRVLD-CKCICUHISA-N 1 1 457.640 4.115 50 0 JIAAMO COc1ccc(-c2nnn(-c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)n2)cc1OC ZINC000013071148 556269023 /nfs/dbraw/zinc/26/90/23/556269023.db2.gz YBRJRXUOTZWTTK-UHFFFAOYSA-N 1 1 491.621 4.072 50 0 JIAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000019299855 556338808 /nfs/dbraw/zinc/33/88/08/556338808.db2.gz WHDAHFNAHJSWLM-FQEVSTJZSA-N 1 1 455.562 4.396 50 0 JIAAMO CC[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1cccc(F)c1 ZINC000019540903 556353333 /nfs/dbraw/zinc/35/33/33/556353333.db2.gz LFKUKPMJFGJUJA-UHFFFAOYSA-N 1 1 467.994 4.114 50 0 JIAAMO CC[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1cccc(F)c1 ZINC000019540903 556353338 /nfs/dbraw/zinc/35/33/38/556353338.db2.gz LFKUKPMJFGJUJA-UHFFFAOYSA-N 1 1 467.994 4.114 50 0 JIAAMO CC(=O)n1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccsc3)C4=O)CC2)c2ccccc21 ZINC000055242751 569591276 /nfs/dbraw/zinc/59/12/76/569591276.db2.gz BJNYDOPBCJHHNS-UHFFFAOYSA-N 1 1 498.608 4.481 50 0 JIAAMO CSc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)[C@H](c2cccnc2)[NH+]2CCCC2)CC3)cc1 ZINC000055576316 569592318 /nfs/dbraw/zinc/59/23/18/569592318.db2.gz PQRBUIOZBVLYPK-GOTSBHOMSA-N 1 1 464.635 4.208 50 0 JIAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057120793 569594393 /nfs/dbraw/zinc/59/43/93/569594393.db2.gz SUWKFDJDDYYMDB-OMICENBGSA-N 1 1 481.527 4.149 50 0 JIAAMO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000057312391 569596286 /nfs/dbraw/zinc/59/62/86/569596286.db2.gz XGQPJEBRDCTCCI-SANMLTNESA-N 1 1 487.556 4.454 50 0 JIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000061999447 569610007 /nfs/dbraw/zinc/61/00/07/569610007.db2.gz XBCMMKRMULIZBL-LBYMPWFASA-N 1 1 483.593 4.380 50 0 biogenic JIAAMO CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1Cl ZINC000062329044 569610537 /nfs/dbraw/zinc/61/05/37/569610537.db2.gz NMTBHFNUWFGQAJ-UHFFFAOYSA-N 1 1 498.048 4.166 50 0 JIAAMO COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1C ZINC000064120717 569616273 /nfs/dbraw/zinc/61/62/73/569616273.db2.gz ONMFNJKQGCQNBW-MHZLTWQESA-N 1 1 499.655 4.032 50 0 JIAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000034708048 569650334 /nfs/dbraw/zinc/65/03/34/569650334.db2.gz VTELYDCFPMQIBQ-RBISFHTESA-N 1 1 492.616 4.477 50 0 JIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1)C(=O)C(C)C ZINC000034740361 569655262 /nfs/dbraw/zinc/65/52/62/569655262.db2.gz BHHHPAUYIRRGFC-ZEQKJWHPSA-N 1 1 454.611 4.050 50 0 JIAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccccc2Cl)CC3)CC1 ZINC000034758411 569657373 /nfs/dbraw/zinc/65/73/73/569657373.db2.gz SHARQCYTNGKOEU-UHFFFAOYSA-N 1 1 499.949 4.151 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000034806735 569661243 /nfs/dbraw/zinc/66/12/43/569661243.db2.gz UOMKNIOOXOCHDJ-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000034806735 569661244 /nfs/dbraw/zinc/66/12/44/569661244.db2.gz UOMKNIOOXOCHDJ-UAKAABGRSA-N 1 1 470.356 4.041 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)c1 ZINC000034829612 569663251 /nfs/dbraw/zinc/66/32/51/569663251.db2.gz GEYNMWSTYSFIET-HRFSGMKKSA-N 1 1 489.641 4.077 50 0 JIAAMO COc1cccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)c1 ZINC000034829612 569663252 /nfs/dbraw/zinc/66/32/52/569663252.db2.gz GEYNMWSTYSFIET-HRFSGMKKSA-N 1 1 489.641 4.077 50 0 JIAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000035404150 569691483 /nfs/dbraw/zinc/69/14/83/569691483.db2.gz XYMPMBURIFPOMQ-UHFFFAOYSA-N 1 1 476.024 4.272 50 0 JIAAMO Cc1ccc(Cl)cc1N1CCN(C(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000035404150 569691485 /nfs/dbraw/zinc/69/14/85/569691485.db2.gz XYMPMBURIFPOMQ-UHFFFAOYSA-N 1 1 476.024 4.272 50 0 JIAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)n2)cc1OC ZINC000035562394 569704849 /nfs/dbraw/zinc/70/48/49/569704849.db2.gz IMVKDJLDRPNCSN-UHFFFAOYSA-N 1 1 454.502 4.052 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2ccccc2Cn2c(C)c(C)s/c2=N\C(=O)c2cccc(C)c2)CC1 ZINC000095927246 569730497 /nfs/dbraw/zinc/73/04/97/569730497.db2.gz APFVQVWDMUEMND-DQSJHHFOSA-N 1 1 476.646 4.042 50 0 JIAAMO O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000096116468 569735510 /nfs/dbraw/zinc/73/55/10/569735510.db2.gz UQLAFBTWOXWWKY-KPVVVLSSSA-N 1 1 461.562 4.062 50 0 biogenic JIAAMO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000096211195 569738226 /nfs/dbraw/zinc/73/82/26/569738226.db2.gz MXXCEBUIIUISPG-DHIUTWEWSA-N 1 1 467.031 4.279 50 0 JIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000096211195 569738227 /nfs/dbraw/zinc/73/82/27/569738227.db2.gz MXXCEBUIIUISPG-DHIUTWEWSA-N 1 1 467.031 4.279 50 0 JIAAMO C[NH2+][C@@H](c1nnnn1[C@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)C(C)(C)C)c1ccccc1 ZINC000096602275 569742465 /nfs/dbraw/zinc/74/24/65/569742465.db2.gz JLBCMYPLTXAQDT-SJBKTWHCSA-N 1 1 466.977 4.092 50 0 JIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3sc4ncccc4c3-n3cccc3)CC2)c1C ZINC000096839809 569743359 /nfs/dbraw/zinc/74/33/59/569743359.db2.gz PUYCSDHIDHASMG-UHFFFAOYSA-N 1 1 459.619 4.256 50 0 JIAAMO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250570 569758273 /nfs/dbraw/zinc/75/82/73/569758273.db2.gz LWTFCIWDMHFRTC-RUZDIDTESA-N 1 1 466.025 4.242 50 0 JIAAMO C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036250339 569758397 /nfs/dbraw/zinc/75/83/97/569758397.db2.gz PFEHJOSZUCNGQX-AVRDEDQJSA-N 1 1 465.560 4.423 50 0 JIAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1 ZINC000036312189 569760114 /nfs/dbraw/zinc/76/01/14/569760114.db2.gz MDIHCDNFHZPGMO-UHFFFAOYSA-N 1 1 454.521 4.424 50 0 JIAAMO CC(C)NC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000036312864 569760462 /nfs/dbraw/zinc/76/04/62/569760462.db2.gz PLZRAPOYIPMXFS-UHFFFAOYSA-N 1 1 465.573 4.353 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036340882 569764220 /nfs/dbraw/zinc/76/42/20/569764220.db2.gz DNDOJRYNVZIHCY-QPPBQGQZSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036340882 569764221 /nfs/dbraw/zinc/76/42/21/569764221.db2.gz DNDOJRYNVZIHCY-QPPBQGQZSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341190 569764409 /nfs/dbraw/zinc/76/44/09/569764409.db2.gz PEDYDMFQKNUUQS-DVECYGJZSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341190 569764410 /nfs/dbraw/zinc/76/44/10/569764410.db2.gz PEDYDMFQKNUUQS-DVECYGJZSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342577 569765976 /nfs/dbraw/zinc/76/59/76/569765976.db2.gz MYCQBRLEIDXAGG-AREMUKBSSA-N 1 1 477.605 4.219 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344863 569767489 /nfs/dbraw/zinc/76/74/89/569767489.db2.gz XJCYDSUNUYRCBK-YKSBVNFPSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344863 569767491 /nfs/dbraw/zinc/76/74/91/569767491.db2.gz XJCYDSUNUYRCBK-YKSBVNFPSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345028 569767714 /nfs/dbraw/zinc/76/77/14/569767714.db2.gz WCYZQHZURIJOAQ-REWPJTCUSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345028 569767715 /nfs/dbraw/zinc/76/77/15/569767715.db2.gz WCYZQHZURIJOAQ-REWPJTCUSA-N 1 1 453.970 4.293 50 0 JIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036346563 569770148 /nfs/dbraw/zinc/77/01/48/569770148.db2.gz UDCXVAXJBNVTEJ-QFIPXVFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036346563 569770149 /nfs/dbraw/zinc/77/01/49/569770149.db2.gz UDCXVAXJBNVTEJ-QFIPXVFZSA-N 1 1 489.563 4.486 50 0 JIAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)c3c(C)noc3n2)cc1 ZINC000036613893 569778087 /nfs/dbraw/zinc/77/80/87/569778087.db2.gz GBYYCUXDTYXTHV-UHFFFAOYSA-N 1 1 456.546 4.473 50 0 JIAAMO O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000039356681 569809532 /nfs/dbraw/zinc/80/95/32/569809532.db2.gz MTPQKHXSWZFGIZ-RRPNLBNLSA-N 1 1 474.580 4.110 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983751 569848138 /nfs/dbraw/zinc/84/81/38/569848138.db2.gz KNSXJQQFPXPRDE-ILBGXUMGSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983751 569848139 /nfs/dbraw/zinc/84/81/39/569848139.db2.gz KNSXJQQFPXPRDE-ILBGXUMGSA-N 1 1 452.501 4.400 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)(C)C)C2CC2)c1 ZINC000105004025 569849683 /nfs/dbraw/zinc/84/96/83/569849683.db2.gz BVAUONZMURLACZ-QPPBQGQZSA-N 1 1 486.678 4.202 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010683 569850907 /nfs/dbraw/zinc/85/09/07/569850907.db2.gz WCYZQHZURIJOAQ-NFBKMPQASA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010683 569850908 /nfs/dbraw/zinc/85/09/08/569850908.db2.gz WCYZQHZURIJOAQ-NFBKMPQASA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012307 569851284 /nfs/dbraw/zinc/85/12/84/569851284.db2.gz SYASLWNCQCWJFD-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012307 569851285 /nfs/dbraw/zinc/85/12/85/569851285.db2.gz SYASLWNCQCWJFD-BKMJKUGQSA-N 1 1 477.605 4.265 50 0 JIAAMO COc1cc(OC)c(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000051317168 569851312 /nfs/dbraw/zinc/85/13/12/569851312.db2.gz BALBZSHEODYESV-UHFFFAOYSA-N 1 1 456.930 4.258 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000105060990 569852612 /nfs/dbraw/zinc/85/26/12/569852612.db2.gz OYNHLDUYTNIOGN-FNZWTVRRSA-N 1 1 467.679 4.500 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000105060990 569852613 /nfs/dbraw/zinc/85/26/13/569852613.db2.gz OYNHLDUYTNIOGN-FNZWTVRRSA-N 1 1 467.679 4.500 50 0 JIAAMO O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000106606240 569854429 /nfs/dbraw/zinc/85/44/29/569854429.db2.gz LSNMGCOHUAYBRJ-UKILVPOCSA-N 1 1 498.524 4.419 50 0 JIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(Cn2cc(Br)cn2)o1 ZINC000107172333 569856219 /nfs/dbraw/zinc/85/62/19/569856219.db2.gz CPVKIAHAOPJYAZ-AZUAARDMSA-N 1 1 455.356 4.043 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000138080215 569865625 /nfs/dbraw/zinc/86/56/25/569865625.db2.gz SWIKMMFFIIJRSK-YDLHNXBPSA-N 1 1 470.356 4.041 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@@H](O)COC(C)C ZINC000169677844 569869039 /nfs/dbraw/zinc/86/90/39/569869039.db2.gz KQUFLCPGNJAUER-NFBKMPQASA-N 1 1 495.085 4.404 50 0 JIAAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679282 569869577 /nfs/dbraw/zinc/86/95/77/569869577.db2.gz ZCKXFIHMXDKWNO-VWNXMTODSA-N 1 1 472.555 4.065 50 0 JIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)cc1 ZINC000169680365 569870452 /nfs/dbraw/zinc/87/04/52/569870452.db2.gz JHTRXDIXZHKHOX-RCZVLFRGSA-N 1 1 488.694 4.305 50 0 JIAAMO CCC[N@@H+]1CC(=Cc2cccc(OC)c2OC)C2=NC(=S)N[C@@H](c3cccc(OC)c3OC)C2C1 ZINC000211028743 569876082 /nfs/dbraw/zinc/87/60/82/569876082.db2.gz WOJABXNGIBZIKD-QUWQGLEASA-N 1 1 495.645 4.303 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228521 570055465 /nfs/dbraw/zinc/05/54/65/570055465.db2.gz HWKOGSBLMOVRER-CCLHPLFOSA-N 1 1 466.626 4.286 50 0 JIAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000245280360 570061805 /nfs/dbraw/zinc/06/18/05/570061805.db2.gz ODWRUIWCKMYZIS-XUZZJYLKSA-N 1 1 474.667 4.061 50 0 JIAAMO CC(C)COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000245330396 570066746 /nfs/dbraw/zinc/06/67/46/570066746.db2.gz YBYSYROXAQYCEK-ZJSXRUAMSA-N 1 1 492.657 4.136 50 0 JIAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccnc4)C3)nc3ccccc32)cc1 ZINC000247870342 570070470 /nfs/dbraw/zinc/07/04/70/570070470.db2.gz CWWNGFAGPQPWPN-OAQYLSRUSA-N 1 1 455.562 4.339 50 0 JIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4cccnc4)C3)nc3ccccc32)cc1 ZINC000247870342 570070471 /nfs/dbraw/zinc/07/04/71/570070471.db2.gz CWWNGFAGPQPWPN-OAQYLSRUSA-N 1 1 455.562 4.339 50 0 JIAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4cccnc4)C3)nc3ccccc32)cc1 ZINC000247870338 570070486 /nfs/dbraw/zinc/07/04/86/570070486.db2.gz CWWNGFAGPQPWPN-NRFANRHFSA-N 1 1 455.562 4.339 50 0 JIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4cccnc4)C3)nc3ccccc32)cc1 ZINC000247870338 570070487 /nfs/dbraw/zinc/07/04/87/570070487.db2.gz CWWNGFAGPQPWPN-NRFANRHFSA-N 1 1 455.562 4.339 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248339442 570078117 /nfs/dbraw/zinc/07/81/17/570078117.db2.gz SWIKMMFFIIJRSK-LYXWCMDISA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc(C)cc4C)CC3)C2)nc2ccccc21 ZINC000249684158 570078511 /nfs/dbraw/zinc/07/85/11/570078511.db2.gz DLPHJISRTWVAEG-HSZRJFAPSA-N 1 1 459.638 4.234 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4c(C)cccc4C)CC3)C2)nc2ccccc21 ZINC000249698242 570078668 /nfs/dbraw/zinc/07/86/68/570078668.db2.gz VRYUQYKBDQDITN-HSZRJFAPSA-N 1 1 459.638 4.234 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000253388968 570095620 /nfs/dbraw/zinc/09/56/20/570095620.db2.gz IINYFWUSOHKGKV-FQRUVTKNSA-N 1 1 480.678 4.271 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)NC1CCCCC1 ZINC000253388968 570095621 /nfs/dbraw/zinc/09/56/21/570095621.db2.gz IINYFWUSOHKGKV-FQRUVTKNSA-N 1 1 480.678 4.271 50 0 JIAAMO COc1ccc(OC)c(-n2cc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3c2=O)c1 ZINC000253410412 570097753 /nfs/dbraw/zinc/09/77/53/570097753.db2.gz NHNHWGRMXOCXGN-NBGIEHNGSA-N 1 1 489.616 4.344 50 0 JIAAMO O=C1NC(=O)C2(CC[NH+](Cc3ncc(C(F)(F)F)cc3Cl)CC2)N1c1ccccc1Cl ZINC000263639849 570173838 /nfs/dbraw/zinc/17/38/38/570173838.db2.gz LVSBKJHRKJYYEK-UHFFFAOYSA-N 1 1 473.282 4.498 50 0 JIAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NCc3ccc(F)cc3)CC23CCCCC3)cc1 ZINC000002953376 194178526 /nfs/dbraw/zinc/17/85/26/194178526.db2.gz SQYUWVKYDDLWMV-UHFFFAOYSA-N 1 1 482.669 4.146 50 0 JIAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000004034961 194371394 /nfs/dbraw/zinc/37/13/94/194371394.db2.gz RJYPWYYZMZYMIR-WJOKGBTCSA-N 1 1 466.047 4.323 50 0 JIAAMO Cc1ccc(C[N@H+]2CCCN(c3cnn(-c4ccc(C(F)(F)F)cn4)c(=O)c3Cl)CC2)cc1 ZINC000009869705 195005526 /nfs/dbraw/zinc/00/55/26/195005526.db2.gz PLNWETBHHIFJCI-UHFFFAOYSA-N 1 1 477.918 4.320 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009963499 195040362 /nfs/dbraw/zinc/04/03/62/195040362.db2.gz HFJPFCYSVYMKKU-OAHLLOKOSA-N 1 1 452.971 4.349 50 0 JIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009963499 195040365 /nfs/dbraw/zinc/04/03/65/195040365.db2.gz HFJPFCYSVYMKKU-OAHLLOKOSA-N 1 1 452.971 4.349 50 0 JIAAMO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012694217 195089647 /nfs/dbraw/zinc/08/96/47/195089647.db2.gz JLNZXRLEGDHNQD-UHFFFAOYSA-N 1 1 474.605 4.313 50 0 JIAAMO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012775825 195120691 /nfs/dbraw/zinc/12/06/91/195120691.db2.gz CJSWNPWTUFVISM-AREMUKBSSA-N 1 1 487.669 4.472 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1Cl ZINC000012784580 195126805 /nfs/dbraw/zinc/12/68/05/195126805.db2.gz DJZYKXWSEUUNBH-KRWDZBQOSA-N 1 1 473.023 4.259 50 0 JIAAMO C[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccc1Cl ZINC000012790964 195131876 /nfs/dbraw/zinc/13/18/76/195131876.db2.gz FNHJZIGHDMUPSR-LEWJYISDSA-N 1 1 456.011 4.162 50 0 JIAAMO O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012798940 195138137 /nfs/dbraw/zinc/13/81/37/195138137.db2.gz FRYLZUJIVNPKPN-LJQANCHMSA-N 1 1 472.618 4.244 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012816631 195147040 /nfs/dbraw/zinc/14/70/40/195147040.db2.gz TYJJAPISRCGXTH-LBPRGKRZSA-N 1 1 484.188 4.442 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012816631 195147043 /nfs/dbraw/zinc/14/70/43/195147043.db2.gz TYJJAPISRCGXTH-LBPRGKRZSA-N 1 1 484.188 4.442 50 0 JIAAMO COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)C(C)C)c1 ZINC000012871761 195163893 /nfs/dbraw/zinc/16/38/93/195163893.db2.gz UNLOMFTYUAHFBD-YVHKJVDXSA-N 1 1 488.654 4.031 50 0 JIAAMO O=C(c1cn(CN2CCOCC2)c2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020649726 195195576 /nfs/dbraw/zinc/19/55/76/195195576.db2.gz CMCVUCKVSAAIFN-UHFFFAOYSA-N 1 1 494.639 4.478 50 0 JIAAMO Cc1oc2c(cc3c(C)c(CCC(=O)N4CC[NH+](CCc5ccncc5)CC4)c(=O)oc3c2C)c1C ZINC000020759907 195217360 /nfs/dbraw/zinc/21/73/60/195217360.db2.gz UCDULRBQLKPISL-UHFFFAOYSA-N 1 1 487.600 4.487 50 0 biogenic JIAAMO CCOC(=O)C[C@H](NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2)c1ccccc1 ZINC000020927397 195249622 /nfs/dbraw/zinc/24/96/22/195249622.db2.gz KICMENUSDUUSDA-NRFANRHFSA-N 1 1 466.607 4.020 50 0 JIAAMO C[N@@H+](CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)C1CCCCC1 ZINC000021166976 195289075 /nfs/dbraw/zinc/28/90/75/195289075.db2.gz JRFFAYGFTLGJOL-UHFFFAOYSA-N 1 1 453.029 4.350 50 0 JIAAMO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc3c(c2)c(C(C)=O)c(C)n3-c2ccc(C)cc2)CC1 ZINC000021167895 195289190 /nfs/dbraw/zinc/28/91/90/195289190.db2.gz OKQRGAYJLCOSTO-DEOSSOPVSA-N 1 1 492.616 4.465 50 0 JIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C)cc2)CC1 ZINC000021914922 195331817 /nfs/dbraw/zinc/33/18/17/195331817.db2.gz UOEGESMLHODWOW-UHFFFAOYSA-N 1 1 468.605 4.403 50 0 JIAAMO O=C1c2ccc(Br)cc2N(C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1=O ZINC000057995712 195361281 /nfs/dbraw/zinc/36/12/81/195361281.db2.gz HSSWSERDHWCSGC-UHFFFAOYSA-N 1 1 464.157 4.367 50 0 JIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000058161835 195369248 /nfs/dbraw/zinc/36/92/48/195369248.db2.gz ABDIOUPCDOMLKI-GOSISDBHSA-N 1 1 474.483 4.015 50 0 JIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000058161835 195369250 /nfs/dbraw/zinc/36/92/50/195369250.db2.gz ABDIOUPCDOMLKI-GOSISDBHSA-N 1 1 474.483 4.015 50 0 JIAAMO CC(C)[N@H+]1CC[C@H](CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000058175580 195371788 /nfs/dbraw/zinc/37/17/88/195371788.db2.gz PUXCGMNRXGRGPF-LJQANCHMSA-N 1 1 451.640 4.333 50 0 JIAAMO CC(C)c1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000012382973 519836646 /nfs/dbraw/zinc/83/66/46/519836646.db2.gz VCLWXGAOSRTUAM-UHFFFAOYSA-N 1 1 491.657 4.350 50 0 JIAAMO CCCC[N@@H+](C)CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021811824 520399137 /nfs/dbraw/zinc/39/91/37/520399137.db2.gz NHRZNCRSGHSAQE-SANMLTNESA-N 1 1 456.631 4.410 50 0 JIAAMO CCN(CC)C(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456606 520501351 /nfs/dbraw/zinc/50/13/51/520501351.db2.gz JZDNECQBQNGFTJ-UHFFFAOYSA-N 1 1 498.549 4.356 50 0 JIAAMO CCN(CC)C(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456606 520501358 /nfs/dbraw/zinc/50/13/58/520501358.db2.gz JZDNECQBQNGFTJ-UHFFFAOYSA-N 1 1 498.549 4.356 50 0 JIAAMO CCOc1ccc2nc(N3CCC[C@H](C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)sc2c1 ZINC000020383622 521302867 /nfs/dbraw/zinc/30/28/67/521302867.db2.gz UTKRCOWOPHRPHG-NRFANRHFSA-N 1 1 464.635 4.256 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC ZINC000036309245 521534309 /nfs/dbraw/zinc/53/43/09/521534309.db2.gz RKMWNKUKYOJVFN-URXFXBBRSA-N 1 1 474.667 4.096 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036309145 521535642 /nfs/dbraw/zinc/53/56/42/521535642.db2.gz XWEAHPLEMPWKGF-DHLKQENFSA-N 1 1 488.694 4.307 50 0 JIAAMO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000020392090 521561231 /nfs/dbraw/zinc/56/12/31/521561231.db2.gz UXCITBBEFQSOJU-UHFFFAOYSA-N 1 1 477.634 4.143 50 0 JIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCCC(=O)OC)C1 ZINC000008590236 521724676 /nfs/dbraw/zinc/72/46/76/521724676.db2.gz OCCFPJXCBAFACZ-LJQANCHMSA-N 1 1 460.644 4.256 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CC[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012203850 522016802 /nfs/dbraw/zinc/01/68/02/522016802.db2.gz CMRPHONCGQJQEM-HMMYKYKNSA-N 1 1 477.630 4.152 50 0 JIAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CC[N@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012203850 522016807 /nfs/dbraw/zinc/01/68/07/522016807.db2.gz CMRPHONCGQJQEM-HMMYKYKNSA-N 1 1 477.630 4.152 50 0 JIAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](Cc3ccccc3)CC1)n(-c1cc(C)cc(C)c1)c2=O ZINC000033300590 522183694 /nfs/dbraw/zinc/18/36/94/522183694.db2.gz DRUGHDIJTUNWDB-UHFFFAOYSA-N 1 1 482.584 4.111 50 0 JIAAMO COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036305675 522786249 /nfs/dbraw/zinc/78/62/49/522786249.db2.gz WBHUOQROUIGXBT-OAQYLSRUSA-N 1 1 451.567 4.107 50 0 JIAAMO COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[C@H]4CCCCC[N@H+]4C)c(C)o3)cc2)o1 ZINC000012198369 522967561 /nfs/dbraw/zinc/96/75/61/522967561.db2.gz KJLUICRLKFQTRS-JOCHJYFZSA-N 1 1 480.565 4.132 50 0 JIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000014882051 523120660 /nfs/dbraw/zinc/12/06/60/523120660.db2.gz RTQGIZXEEYMKKV-LADGPHEKSA-N 1 1 486.056 4.315 50 0 JIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000014882051 523120671 /nfs/dbraw/zinc/12/06/71/523120671.db2.gz RTQGIZXEEYMKKV-LADGPHEKSA-N 1 1 486.056 4.315 50 0 JIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016343931 523197819 /nfs/dbraw/zinc/19/78/19/523197819.db2.gz VZJBUQAXQBHAAK-HXUWFJFHSA-N 1 1 459.384 4.406 50 0 JIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016343931 523197830 /nfs/dbraw/zinc/19/78/30/523197830.db2.gz VZJBUQAXQBHAAK-HXUWFJFHSA-N 1 1 459.384 4.406 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036306302 523734572 /nfs/dbraw/zinc/73/45/72/523734572.db2.gz FWBZOGLDDKIEAA-QHCPKHFHSA-N 1 1 467.610 4.422 50 0 JIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036306007 523734923 /nfs/dbraw/zinc/73/49/23/523734923.db2.gz HCGNJGORVASNNN-HSZRJFAPSA-N 1 1 497.636 4.370 50 0 JIAAMO C[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccccc3F)cc2)CC1 ZINC000020415556 523881492 /nfs/dbraw/zinc/88/14/92/523881492.db2.gz BSJAHPWZFVJCPV-UHFFFAOYSA-N 1 1 475.593 4.299 50 0 JIAAMO CC[C@H](C)[N@@H+](CCNC(=O)[C@@H](C)n1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000020464928 523935540 /nfs/dbraw/zinc/93/55/40/523935540.db2.gz HCQWBOBVHDCQMS-AZUAARDMSA-N 1 1 451.615 4.068 50 0 JIAAMO CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014745037 524017326 /nfs/dbraw/zinc/01/73/26/524017326.db2.gz PAHFFBIZGIVLTF-FTJBHMTQSA-N 1 1 455.602 4.494 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cccn3C)C2)cc1C ZINC000036341909 524233094 /nfs/dbraw/zinc/23/30/94/524233094.db2.gz IWNMOIJNQQEYDN-MUUNZHRXSA-N 1 1 469.633 4.137 50 0 JIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)C(C)C)c1 ZINC000036309458 524765734 /nfs/dbraw/zinc/76/57/34/524765734.db2.gz JQUBCUSRDNTMFA-URXFXBBRSA-N 1 1 474.667 4.058 50 0 JIAAMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000021779029 524811361 /nfs/dbraw/zinc/81/13/61/524811361.db2.gz MSEKRRGSOOMIHN-HHHXNRCGSA-N 1 1 485.584 4.131 50 0 JIAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1 ZINC000020453606 525003407 /nfs/dbraw/zinc/00/34/07/525003407.db2.gz QZEATKBEPYJQJQ-SQHAQQRYSA-N 1 1 487.648 4.162 50 0 JIAAMO C[C@H](NC(=O)c1ccc(C[N@@H+](CCO)Cc2ccccc2)[nH]c1=O)c1cccc2ccccc21 ZINC000014957945 525210536 /nfs/dbraw/zinc/21/05/36/525210536.db2.gz TXJRFGPLNHXWBO-FQEVSTJZSA-N 1 1 455.558 4.014 50 0 JIAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)CC1 ZINC000022133940 526100242 /nfs/dbraw/zinc/10/02/42/526100242.db2.gz NWDOEXMOHFWJKR-QGZVFWFLSA-N 1 1 471.627 4.287 50 0 JIAAMO Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)n(C)n1 ZINC000012244086 526224965 /nfs/dbraw/zinc/22/49/65/526224965.db2.gz LRMGKJYUESHAKE-QHCPKHFHSA-N 1 1 483.060 4.019 50 0 JIAAMO Cc1ccc2nc(C)cc(C(=O)N3CCOc4ccc(C[N@@H+]5C[C@@H](C)O[C@@H](C)C5)cc4C3)c2c1 ZINC000014806895 526245783 /nfs/dbraw/zinc/24/57/83/526245783.db2.gz ACRQKMSCHSUUGY-OYRHEFFESA-N 1 1 459.590 4.496 50 0 JIAAMO Cc1ccc2nc(C)cc(C(=O)N3CCOc4ccc(C[N@H+]5C[C@@H](C)O[C@@H](C)C5)cc4C3)c2c1 ZINC000014806895 526245784 /nfs/dbraw/zinc/24/57/84/526245784.db2.gz ACRQKMSCHSUUGY-OYRHEFFESA-N 1 1 459.590 4.496 50 0 JIAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3C)n2n1 ZINC000008609662 526246502 /nfs/dbraw/zinc/24/65/02/526246502.db2.gz QYYUNZHXLZYYFZ-UHFFFAOYSA-N 1 1 457.563 4.064 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032335 526250135 /nfs/dbraw/zinc/25/01/35/526250135.db2.gz PQPOBBNQENPJEZ-KRWDZBQOSA-N 1 1 497.596 4.113 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146804 526290448 /nfs/dbraw/zinc/29/04/48/526290448.db2.gz LLCHXWAXCCFIAI-ZCYQVOJMSA-N 1 1 452.501 4.400 50 0 JIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146804 526290451 /nfs/dbraw/zinc/29/04/51/526290451.db2.gz LLCHXWAXCCFIAI-ZCYQVOJMSA-N 1 1 452.501 4.400 50 0 JIAAMO Cc1nn2c(ncc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c2C)c1-c1cccc(C)c1 ZINC000021537910 526312666 /nfs/dbraw/zinc/31/26/66/526312666.db2.gz OWELPEQUABKIHO-UHFFFAOYSA-N 1 1 496.659 4.259 50 0 JIAAMO O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1C[NH+]1CCCCC1)c1ccccc1 ZINC000005984519 526441748 /nfs/dbraw/zinc/44/17/48/526441748.db2.gz WZPRZVLVOXYOQN-UHFFFAOYSA-N 1 1 475.570 4.453 50 0 JIAAMO O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033269137 526466761 /nfs/dbraw/zinc/46/67/61/526466761.db2.gz ILADJBUYYVDTLH-UHFFFAOYSA-N 1 1 471.580 4.286 50 0 JIAAMO Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)CCc4ccccn4)cc3)C2)cs1 ZINC000014881081 526638854 /nfs/dbraw/zinc/63/88/54/526638854.db2.gz DZGUQXVJBXYTHJ-JOCHJYFZSA-N 1 1 464.635 4.452 50 0 JIAAMO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@@H](c1cccnc1)N1CCCCC1 ZINC000014986646 526989759 /nfs/dbraw/zinc/98/97/59/526989759.db2.gz JVHRSHIVHBDAHO-GMAHTHKFSA-N 1 1 485.028 4.162 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036304945 527550704 /nfs/dbraw/zinc/55/07/04/527550704.db2.gz KVVMXIJDQTVQBZ-AREMUKBSSA-N 1 1 490.648 4.187 50 0 JIAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035359 527673516 /nfs/dbraw/zinc/67/35/16/527673516.db2.gz MOENERAUKKZKKV-JOCHJYFZSA-N 1 1 485.028 4.204 50 0 JIAAMO O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002776760 554340179 /nfs/dbraw/zinc/34/01/79/554340179.db2.gz JUYIAEJUDCFWSB-OAHLLOKOSA-N 1 1 483.416 4.110 50 0 JIAAMO Cc1ccc2nc(-c3ccccc3)c(C[N@H+](C)CC(=O)Nc3ccc(N4CCOCC4)cc3)n2c1 ZINC000008778734 554675445 /nfs/dbraw/zinc/67/54/45/554675445.db2.gz NQNCKHVCIYMRMJ-UHFFFAOYSA-N 1 1 469.589 4.217 50 0 JIAAMO Cc1ccc2nc(-c3ccccc3)c(C[N@@H+](C)CC(=O)Nc3ccc(N4CCOCC4)cc3)n2c1 ZINC000008778734 554675447 /nfs/dbraw/zinc/67/54/47/554675447.db2.gz NQNCKHVCIYMRMJ-UHFFFAOYSA-N 1 1 469.589 4.217 50 0 JIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000008780180 554677558 /nfs/dbraw/zinc/67/75/58/554677558.db2.gz UHPCZVPBWBJBOJ-UHFFFAOYSA-N 1 1 478.593 4.085 50 0 JIAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+](Cc3ccco3)[C@@H](C)CC)c(=O)c21 ZINC000009153449 554943193 /nfs/dbraw/zinc/94/31/93/554943193.db2.gz VFECTDTVGOXKTQ-FQEVSTJZSA-N 1 1 477.609 4.161 50 0 JIAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009291806 555066565 /nfs/dbraw/zinc/06/65/65/555066565.db2.gz USBVXALOFJWQOH-LOSJGSFVSA-N 1 1 453.502 4.211 50 0 JIAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009292387 555067590 /nfs/dbraw/zinc/06/75/90/555067590.db2.gz GZMZHCSKXFQDLW-LOSJGSFVSA-N 1 1 453.502 4.211 50 0 JIAAMO COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000009410528 555176925 /nfs/dbraw/zinc/17/69/25/555176925.db2.gz OWFNDUNRPGVINV-UHFFFAOYSA-N 1 1 458.566 4.060 50 0 JIAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000009493610 555275943 /nfs/dbraw/zinc/27/59/43/555275943.db2.gz NZUIZWPCLBBXFY-UHFFFAOYSA-N 1 1 483.556 4.259 50 0 JIAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000009493610 555275944 /nfs/dbraw/zinc/27/59/44/555275944.db2.gz NZUIZWPCLBBXFY-UHFFFAOYSA-N 1 1 483.556 4.259 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000009501906 555286422 /nfs/dbraw/zinc/28/64/22/555286422.db2.gz PGAQINJGUSUSMZ-VWLOTQADSA-N 1 1 476.621 4.380 50 0 JIAAMO CCOc1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000013165196 555368229 /nfs/dbraw/zinc/36/82/29/555368229.db2.gz VKBZFMIPVZTSBW-VWLOTQADSA-N 1 1 499.658 4.249 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000009671870 555392575 /nfs/dbraw/zinc/39/25/75/555392575.db2.gz MQHNHGGVDLWLOL-RRNJLGJUSA-N 1 1 481.662 4.489 50 0 JIAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 ZINC000009686365 555414929 /nfs/dbraw/zinc/41/49/29/555414929.db2.gz JTDVOOWYOMRNCY-QFIPXVFZSA-N 1 1 475.662 4.368 50 0 JIAAMO CCCC(=O)Nc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000019831915 555505653 /nfs/dbraw/zinc/50/56/53/555505653.db2.gz XLBITYAVCQWAOG-UHFFFAOYSA-N 1 1 495.674 4.303 50 0 JIAAMO Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000019862593 555520493 /nfs/dbraw/zinc/52/04/93/555520493.db2.gz HPWZTBWGBMGRAK-UHFFFAOYSA-N 1 1 464.569 4.072 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000009813169 555520793 /nfs/dbraw/zinc/52/07/93/555520793.db2.gz HULHPVWTLBOJTP-AWEZNQCLSA-N 1 1 471.321 4.402 50 0 JIAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000009813169 555520797 /nfs/dbraw/zinc/52/07/97/555520797.db2.gz HULHPVWTLBOJTP-AWEZNQCLSA-N 1 1 471.321 4.402 50 0 JIAAMO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](CCO)CC2)c1 ZINC000019880286 555525562 /nfs/dbraw/zinc/52/55/62/555525562.db2.gz CVBXLENWAWVSDU-VWLOTQADSA-N 1 1 479.646 4.325 50 0 JIAAMO Fc1ccccc1N1CC[NH+](CCNc2nc3ccccc3c3nc(-c4ccccc4)nn32)CC1 ZINC000009831070 555532623 /nfs/dbraw/zinc/53/26/23/555532623.db2.gz VNDXJPBNEDFYDW-UHFFFAOYSA-N 1 1 467.552 4.318 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1OC ZINC000009857821 555558922 /nfs/dbraw/zinc/55/89/22/555558922.db2.gz VSEHRRWAMKGLDG-OAHLLOKOSA-N 1 1 474.920 4.397 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1OC ZINC000009857821 555558924 /nfs/dbraw/zinc/55/89/24/555558924.db2.gz VSEHRRWAMKGLDG-OAHLLOKOSA-N 1 1 474.920 4.397 50 0 JIAAMO CCOc1cc(C[N@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C2CC2)ccc1OC(F)F ZINC000010056711 555607766 /nfs/dbraw/zinc/60/77/66/555607766.db2.gz FBERFPIMYAJVJN-UHFFFAOYSA-N 1 1 473.564 4.308 50 0 JIAAMO CCOc1cc(C[N@@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C2CC2)ccc1OC(F)F ZINC000010056711 555607774 /nfs/dbraw/zinc/60/77/74/555607774.db2.gz FBERFPIMYAJVJN-UHFFFAOYSA-N 1 1 473.564 4.308 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104121 555636230 /nfs/dbraw/zinc/63/62/30/555636230.db2.gz YVYRKVYQIIOOQC-RRPNLBNLSA-N 1 1 475.633 4.473 50 0 JIAAMO C[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)C1CCCCC1 ZINC000020180746 555687040 /nfs/dbraw/zinc/68/70/40/555687040.db2.gz VNPCIDRROYJMBX-BWAHOGKJSA-N 1 1 465.569 4.363 50 0 JIAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000010707802 555735132 /nfs/dbraw/zinc/73/51/32/555735132.db2.gz REGAEFRPSVEJNV-UHFFFAOYSA-N 1 1 477.630 4.250 50 0 JIAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000020325093 555772964 /nfs/dbraw/zinc/77/29/64/555772964.db2.gz SVYFVBGQJPQBQS-AREMUKBSSA-N 1 1 493.673 4.235 50 0 JIAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000020325085 555772983 /nfs/dbraw/zinc/77/29/83/555772983.db2.gz SVYFVBGQJPQBQS-SANMLTNESA-N 1 1 493.673 4.235 50 0 JIAAMO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2cc(CC(C)C)n[nH]2)CC1 ZINC000011819512 555831161 /nfs/dbraw/zinc/83/11/61/555831161.db2.gz BSSJJEWAEUGBNY-UHFFFAOYSA-N 1 1 451.575 4.294 50 0 JIAAMO Cc1c(C(=O)N2CCC([NH+]3CCOCC3)CC2)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000020599981 555841426 /nfs/dbraw/zinc/84/14/26/555841426.db2.gz VSRRIUOECXTAMV-QFIPXVFZSA-N 1 1 491.661 4.426 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[N@@H+]2CC[C@@H](c4ccccc4)C2)C3=O)cc1 ZINC000015023797 555864664 /nfs/dbraw/zinc/86/46/64/555864664.db2.gz DYZWNUHQTLDFJS-PIKZIKFNSA-N 1 1 485.609 4.422 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[N@H+]2CC[C@@H](c4ccccc4)C2)C3=O)cc1 ZINC000015023797 555864666 /nfs/dbraw/zinc/86/46/66/555864666.db2.gz DYZWNUHQTLDFJS-PIKZIKFNSA-N 1 1 485.609 4.422 50 0 JIAAMO CC[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(Br)cc1 ZINC000015043911 555865994 /nfs/dbraw/zinc/86/59/94/555865994.db2.gz SINRWMSVDNPKHG-IBGZPJMESA-N 1 1 474.399 4.073 50 0 JIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000015101512 555876807 /nfs/dbraw/zinc/87/68/07/555876807.db2.gz FWUDEMHULCODNC-GOSISDBHSA-N 1 1 465.525 4.424 50 0 JIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000015101512 555876808 /nfs/dbraw/zinc/87/68/08/555876808.db2.gz FWUDEMHULCODNC-GOSISDBHSA-N 1 1 465.525 4.424 50 0 JIAAMO O=C(c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)c(F)c4)CC3)ccc2o1)N1CCSCC1 ZINC000011998237 555880647 /nfs/dbraw/zinc/88/06/47/555880647.db2.gz WPNHTNMPFHXKQN-UHFFFAOYSA-N 1 1 472.557 4.384 50 0 JIAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(C)c1C ZINC000012001367 555882321 /nfs/dbraw/zinc/88/23/21/555882321.db2.gz MDQRUYHVSNPQML-QHCPKHFHSA-N 1 1 450.627 4.048 50 0 JIAAMO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(OC)cc1Cl)CC2 ZINC000012052976 555896911 /nfs/dbraw/zinc/89/69/11/555896911.db2.gz QVMVMNCTWNFZRT-FQEVSTJZSA-N 1 1 473.013 4.327 50 0 JIAAMO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c2)cc1 ZINC000015477284 555910509 /nfs/dbraw/zinc/91/05/09/555910509.db2.gz LMHNAMDGBYAGOY-HSZRJFAPSA-N 1 1 467.591 4.346 50 0 JIAAMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000022373855 555927228 /nfs/dbraw/zinc/92/72/28/555927228.db2.gz OCDUFVKBMAPLSZ-JOCHJYFZSA-N 1 1 466.582 4.366 50 0 JIAAMO COC(=O)c1sc2nc(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)ccc2c1NC(=O)c1cc(C)nn1C ZINC000012242979 555946079 /nfs/dbraw/zinc/94/60/79/555946079.db2.gz ADYRXZPKKOYGKD-IRXDYDNUSA-N 1 1 481.622 4.389 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345277 555956091 /nfs/dbraw/zinc/95/60/91/555956091.db2.gz HPILPJMKJXSTCN-UHFFFAOYSA-N 1 1 496.054 4.350 50 0 JIAAMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726153 555963409 /nfs/dbraw/zinc/96/34/09/555963409.db2.gz CNDNMKUGVDBSTM-LJQANCHMSA-N 1 1 450.539 4.167 50 0 JIAAMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726153 555963413 /nfs/dbraw/zinc/96/34/13/555963413.db2.gz CNDNMKUGVDBSTM-LJQANCHMSA-N 1 1 450.539 4.167 50 0 JIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000022917838 555971459 /nfs/dbraw/zinc/97/14/59/555971459.db2.gz JVPIIHMCWAZHLR-XMMPIXPASA-N 1 1 462.981 4.429 50 0 JIAAMO CCN1CC[NH+](CCCNC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000022923792 555976250 /nfs/dbraw/zinc/97/62/50/555976250.db2.gz PWVJSYOZPMZUSF-IBGZPJMESA-N 1 1 454.018 4.062 50 0 JIAAMO CC[C@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1cccs1 ZINC000015770316 555988782 /nfs/dbraw/zinc/98/87/82/555988782.db2.gz SJWOMYPDKLMYKP-KRWDZBQOSA-N 1 1 457.669 4.386 50 0 JIAAMO O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022976609 555994765 /nfs/dbraw/zinc/99/47/65/555994765.db2.gz UKSUHUGLMWDRDC-UHFFFAOYSA-N 1 1 492.929 4.237 50 0 JIAAMO C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181227 556027615 /nfs/dbraw/zinc/02/76/15/556027615.db2.gz FAASTZBFOFQYLH-DFBJGRDBSA-N 1 1 463.603 4.154 50 0 JIAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccc(C)n2)CC3)c1 ZINC000023340436 556047740 /nfs/dbraw/zinc/04/77/40/556047740.db2.gz UCEQJTKYUAECDX-DEOSSOPVSA-N 1 1 460.626 4.174 50 0 JIAAMO Cc1oc(-c2ccccc2Cl)nc1C[S@](=O)CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000015944393 556080970 /nfs/dbraw/zinc/08/09/70/556080970.db2.gz IOZHOTFCFNTCRJ-WORKWWTESA-N 1 1 466.047 4.036 50 0 JIAAMO CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000024022963 556116517 /nfs/dbraw/zinc/11/65/17/556116517.db2.gz LNJYFUNIOOOECL-SANMLTNESA-N 1 1 465.569 4.332 50 0 JIAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000016032406 556116708 /nfs/dbraw/zinc/11/67/08/556116708.db2.gz GGSSOHAHFTZPNA-UGIARPQZSA-N 1 1 462.631 4.077 50 0 biogenic JIAAMO CCCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000016032406 556116711 /nfs/dbraw/zinc/11/67/11/556116711.db2.gz GGSSOHAHFTZPNA-UGIARPQZSA-N 1 1 462.631 4.077 50 0 biogenic JIAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)o1 ZINC000012908935 556128001 /nfs/dbraw/zinc/12/80/01/556128001.db2.gz YYPAQOSTONCPQL-UHFFFAOYSA-N 1 1 459.506 4.256 50 0 JIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 ZINC000012909961 556128949 /nfs/dbraw/zinc/12/89/49/556128949.db2.gz ZSONBJYOBAZAJL-UHFFFAOYSA-N 1 1 453.637 4.086 50 0 JIAAMO C[NH+](C)[C@@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1Cl ZINC000024975110 556166816 /nfs/dbraw/zinc/16/68/16/556166816.db2.gz AFBJYAFFXIOOAS-KRWDZBQOSA-N 1 1 491.082 4.169 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024978859 556167386 /nfs/dbraw/zinc/16/73/86/556167386.db2.gz PUSVDZZAXIDDLH-LJQANCHMSA-N 1 1 478.618 4.069 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000024978859 556167388 /nfs/dbraw/zinc/16/73/88/556167388.db2.gz PUSVDZZAXIDDLH-LJQANCHMSA-N 1 1 478.618 4.069 50 0 JIAAMO C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891089 556172164 /nfs/dbraw/zinc/17/21/64/556172164.db2.gz DAKZOQRZAHWKLX-XDHUDOTRSA-N 1 1 467.566 4.298 50 0 JIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000025398601 556213568 /nfs/dbraw/zinc/21/35/68/556213568.db2.gz FSOQFXDVEPLYAJ-UHFFFAOYSA-N 1 1 452.971 4.349 50 0 JIAAMO COc1ccc([C@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025480563 556217954 /nfs/dbraw/zinc/21/79/54/556217954.db2.gz XXBYDHMMYPBHLF-IAPPQJPRSA-N 1 1 455.558 4.284 50 0 JIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1 ZINC000017296941 556252139 /nfs/dbraw/zinc/25/21/39/556252139.db2.gz VBYBBILBJNMDLQ-VWLOTQADSA-N 1 1 496.007 4.324 50 0 JIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCC2)cc1 ZINC000028289919 556327876 /nfs/dbraw/zinc/32/78/76/556327876.db2.gz PAEMSBSILZQIOG-IBGZPJMESA-N 1 1 471.351 4.131 50 0 JIAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000019299853 556338900 /nfs/dbraw/zinc/33/89/00/556338900.db2.gz WHDAHFNAHJSWLM-HXUWFJFHSA-N 1 1 455.562 4.396 50 0 JIAAMO CN(CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1)C(=O)c1ccco1 ZINC000030180787 556364134 /nfs/dbraw/zinc/36/41/34/556364134.db2.gz JYKDXKJNNBMRRD-UHFFFAOYSA-N 1 1 457.983 4.078 50 0 JIAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000031589557 556400028 /nfs/dbraw/zinc/40/00/28/556400028.db2.gz LHRHXGMAWPKXDY-UHFFFAOYSA-N 1 1 465.601 4.150 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3noc4c3COc3ccc(C)cc3-4)C[C@@H]2C)c1 ZINC000032920489 556540865 /nfs/dbraw/zinc/54/08/65/556540865.db2.gz ITQMSZKJEKNEDI-FQEVSTJZSA-N 1 1 460.578 4.181 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccccc3)CC2)ccc1C ZINC000008684414 562952039 /nfs/dbraw/zinc/95/20/39/562952039.db2.gz JDDOFJFMUWAPCW-HXUWFJFHSA-N 1 1 455.624 4.142 50 0 JIAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccccc3)CC2)ccc1C ZINC000008684414 562952040 /nfs/dbraw/zinc/95/20/40/562952040.db2.gz JDDOFJFMUWAPCW-HXUWFJFHSA-N 1 1 455.624 4.142 50 0 JIAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000023337646 563020094 /nfs/dbraw/zinc/02/00/94/563020094.db2.gz STEMEVFERSKMQU-UHFFFAOYSA-N 1 1 492.649 4.033 50 0 JIAAMO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000053057372 563204991 /nfs/dbraw/zinc/20/49/91/563204991.db2.gz SDEFLOZFNIEWNL-UHFFFAOYSA-N 1 1 451.570 4.070 50 0 JIAAMO CCOCC[NH+]1CCN(c2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000061695575 563209547 /nfs/dbraw/zinc/20/95/47/563209547.db2.gz XKJPDSSECNXSHJ-UHFFFAOYSA-N 1 1 485.419 4.084 50 0 JIAAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000057015892 569593925 /nfs/dbraw/zinc/59/39/25/569593925.db2.gz FFZVPUFSAAPHDX-NIYFSFCBSA-N 1 1 495.645 4.456 50 0 JIAAMO CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1CCC[N@H+]12 ZINC000063552074 569615545 /nfs/dbraw/zinc/61/55/45/569615545.db2.gz HWMDVCMUKMUZBX-OXDBHQQFSA-N 1 1 476.321 4.022 50 0 biogenic JIAAMO Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000064450534 569617167 /nfs/dbraw/zinc/61/71/67/569617167.db2.gz MLUMOOKOXVBLFL-OAHLLOKOSA-N 1 1 478.615 4.313 50 0 JIAAMO CC[C@H]1Cn2c(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc3cccc(c32)O1 ZINC000064816581 569633583 /nfs/dbraw/zinc/63/35/83/569633583.db2.gz FNRFSLWZZBLTMF-NRFANRHFSA-N 1 1 452.986 4.018 50 0 JIAAMO CCn1c2c(C(=O)Nc3ccc(Cl)cc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835893 569636531 /nfs/dbraw/zinc/63/65/31/569636531.db2.gz CXKSKCBFVQLXJI-UHFFFAOYSA-N 1 1 475.980 4.288 50 0 JIAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667480 569640417 /nfs/dbraw/zinc/64/04/17/569640417.db2.gz TZCUYSBFKVMWRR-PIKZIKFNSA-N 1 1 489.591 4.104 50 0 JIAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667480 569640418 /nfs/dbraw/zinc/64/04/18/569640418.db2.gz TZCUYSBFKVMWRR-PIKZIKFNSA-N 1 1 489.591 4.104 50 0 JIAAMO Cc1ccc(C(=O)NCC[N@@H+](CCc2ccccc2)Cc2ccco2)cc1-n1nnc2cccnc21 ZINC000064925675 569646595 /nfs/dbraw/zinc/64/65/95/569646595.db2.gz ZQPIMSULQHCFEP-UHFFFAOYSA-N 1 1 480.572 4.192 50 0 JIAAMO CC[N@@H+](CCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023189 569649802 /nfs/dbraw/zinc/64/98/02/569649802.db2.gz JJEFYGHMSKQLNG-QHCPKHFHSA-N 1 1 461.585 4.137 50 0 JIAAMO C[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023501 569649807 /nfs/dbraw/zinc/64/98/07/569649807.db2.gz LIQRXFVKWIKUQL-HSZRJFAPSA-N 1 1 461.585 4.137 50 0 JIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1)C(=O)C(C)C ZINC000034740360 569655415 /nfs/dbraw/zinc/65/54/15/569655415.db2.gz BHHHPAUYIRRGFC-JYFHCDHNSA-N 1 1 454.611 4.050 50 0 JIAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787231 569659555 /nfs/dbraw/zinc/65/95/55/569659555.db2.gz ZOZICDMHCISTPB-XMMPIXPASA-N 1 1 465.644 4.132 50 0 JIAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787231 569659557 /nfs/dbraw/zinc/65/95/57/569659557.db2.gz ZOZICDMHCISTPB-XMMPIXPASA-N 1 1 465.644 4.132 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000034787780 569659948 /nfs/dbraw/zinc/65/99/48/569659948.db2.gz HJXZIFADOGVRRZ-AREMUKBSSA-N 1 1 477.605 4.128 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000034787780 569659949 /nfs/dbraw/zinc/65/99/49/569659949.db2.gz HJXZIFADOGVRRZ-AREMUKBSSA-N 1 1 477.605 4.128 50 0 JIAAMO Cc1cccc(-c2noc(-c3ccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nc3)n2)c1 ZINC000065097886 569661713 /nfs/dbraw/zinc/66/17/13/569661713.db2.gz HYISJJUDNFVZJX-UHFFFAOYSA-N 1 1 455.518 4.158 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000034829599 569663081 /nfs/dbraw/zinc/66/30/81/569663081.db2.gz DGCMDSNAYMKGAI-SIBVEZHUSA-N 1 1 479.671 4.059 50 0 JIAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1cccs1 ZINC000034829599 569663082 /nfs/dbraw/zinc/66/30/82/569663082.db2.gz DGCMDSNAYMKGAI-SIBVEZHUSA-N 1 1 479.671 4.059 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000034829597 569663223 /nfs/dbraw/zinc/66/32/23/569663223.db2.gz WRNVVAHGDIDAJU-ZBLYBZFDSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000034829597 569663224 /nfs/dbraw/zinc/66/32/24/569663224.db2.gz WRNVVAHGDIDAJU-ZBLYBZFDSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@H](C)C1 ZINC000034829819 569663508 /nfs/dbraw/zinc/66/35/08/569663508.db2.gz JIXJTVLNXWVRHU-HRFSGMKKSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@H](C)C1 ZINC000034829819 569663510 /nfs/dbraw/zinc/66/35/10/569663510.db2.gz JIXJTVLNXWVRHU-HRFSGMKKSA-N 1 1 493.698 4.368 50 0 JIAAMO CCCCCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034830467 569663822 /nfs/dbraw/zinc/66/38/22/569663822.db2.gz WQTQKVOSDPBTKQ-AREMUKBSSA-N 1 1 471.642 4.476 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035268871 569679125 /nfs/dbraw/zinc/67/91/25/569679125.db2.gz SCTFLBFPFHWYDX-MOPGFXCFSA-N 1 1 450.608 4.340 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000035305348 569679938 /nfs/dbraw/zinc/67/99/38/569679938.db2.gz QYHBXRKBQHUVCN-DXBBTUNJSA-N 1 1 464.949 4.479 50 0 JIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000035305348 569679939 /nfs/dbraw/zinc/67/99/39/569679939.db2.gz QYHBXRKBQHUVCN-DXBBTUNJSA-N 1 1 464.949 4.479 50 0 JIAAMO COc1ccc(C[N@@H+](C[C@@H](C)O)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000035361948 569682266 /nfs/dbraw/zinc/68/22/66/569682266.db2.gz BEGSCXDXADKEKJ-UKDTUCQJSA-N 1 1 457.611 4.201 50 0 biogenic JIAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067285940 569683596 /nfs/dbraw/zinc/68/35/96/569683596.db2.gz DDLYELYWRJSSGN-DEOSSOPVSA-N 1 1 469.532 4.091 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c(=O)c2C1 ZINC000067291321 569685466 /nfs/dbraw/zinc/68/54/66/569685466.db2.gz CQLYWJRHXKXTPX-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c(=O)c2C1 ZINC000067291321 569685467 /nfs/dbraw/zinc/68/54/67/569685467.db2.gz CQLYWJRHXKXTPX-UHFFFAOYSA-N 1 1 485.009 4.442 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[nH]c(=O)c2C1 ZINC000067291422 569685552 /nfs/dbraw/zinc/68/55/52/569685552.db2.gz ZHABIDGYYQEXRF-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[nH]c(=O)c2C1 ZINC000067291422 569685554 /nfs/dbraw/zinc/68/55/54/569685554.db2.gz ZHABIDGYYQEXRF-UHFFFAOYSA-N 1 1 488.972 4.272 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)cn2)cc1C ZINC000035403569 569691301 /nfs/dbraw/zinc/69/13/01/569691301.db2.gz PMOXKHMLTOZWSN-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)cn2)cc1C ZINC000035403569 569691302 /nfs/dbraw/zinc/69/13/02/569691302.db2.gz PMOXKHMLTOZWSN-UHFFFAOYSA-N 1 1 473.596 4.066 50 0 JIAAMO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCc3cnc[nH]3)CC2)cc2ccccc21 ZINC000035451460 569696953 /nfs/dbraw/zinc/69/69/53/569696953.db2.gz JJRFDNOFBDPLGA-UHFFFAOYSA-N 1 1 455.606 4.292 50 0 JIAAMO CC[C@H](O)C[N@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035887357 569720836 /nfs/dbraw/zinc/72/08/36/569720836.db2.gz RMNOEFAOXODVFZ-DEOSSOPVSA-N 1 1 450.602 4.471 50 0 JIAAMO CC[C@H](O)C[N@@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035887357 569720837 /nfs/dbraw/zinc/72/08/37/569720837.db2.gz RMNOEFAOXODVFZ-DEOSSOPVSA-N 1 1 450.602 4.471 50 0 JIAAMO CCCN(CCC(=O)N1CC[NH+](CC)CC1)c1nc(CC)nc2c(Cl)cc(Cl)cc21 ZINC000095537716 569725986 /nfs/dbraw/zinc/72/59/86/569725986.db2.gz XPPHQMJILWJUSE-UHFFFAOYSA-N 1 1 452.430 4.270 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](CCOC)C[C@H](O)CC ZINC000036316362 569762758 /nfs/dbraw/zinc/76/27/58/569762758.db2.gz XVYQLKFLUKMJQW-OAQYLSRUSA-N 1 1 453.583 4.455 50 0 JIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](CCOC)C[C@H](O)CC ZINC000036316362 569762759 /nfs/dbraw/zinc/76/27/59/569762759.db2.gz XVYQLKFLUKMJQW-OAQYLSRUSA-N 1 1 453.583 4.455 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CN1CCOCC1 ZINC000036342020 569765013 /nfs/dbraw/zinc/76/50/13/569765013.db2.gz TUKSJYNWNQFHFY-ZJSXRUAMSA-N 1 1 496.627 4.406 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344776 569767269 /nfs/dbraw/zinc/76/72/69/569767269.db2.gz DWCRCQWBWYUFEZ-BWKNWUBXSA-N 1 1 465.569 4.395 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(F)c2)C1 ZINC000036344776 569767270 /nfs/dbraw/zinc/76/72/70/569767270.db2.gz DWCRCQWBWYUFEZ-BWKNWUBXSA-N 1 1 465.569 4.395 50 0 JIAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c1 ZINC000036344953 569767412 /nfs/dbraw/zinc/76/74/12/569767412.db2.gz NXGZUBFIKGHSKY-LJAQVGFWSA-N 1 1 482.628 4.499 50 0 JIAAMO COc1ccccc1[C@@H]([C@@H](O)C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2)CC1 ZINC000101016384 569779460 /nfs/dbraw/zinc/77/94/60/569779460.db2.gz ZBJYRCMMFYEABF-XTEPFMGCSA-N 1 1 455.558 4.284 50 0 JIAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(OC)c1 ZINC000037276312 569782225 /nfs/dbraw/zinc/78/22/25/569782225.db2.gz NWQJAMHPFZQESU-JTHBVZDNSA-N 1 1 460.565 4.320 50 0 JIAAMO CC(C)(C)CC(=O)N(CCC[NH+]1CCOCC1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000037381977 569785129 /nfs/dbraw/zinc/78/51/29/569785129.db2.gz QQBDTWSHCLFYOY-UHFFFAOYSA-N 1 1 482.547 4.285 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344496 569793882 /nfs/dbraw/zinc/79/38/82/569793882.db2.gz ZLTDJHBOQGFQHN-ZHSNQQFMSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344496 569793883 /nfs/dbraw/zinc/79/38/83/569793883.db2.gz ZLTDJHBOQGFQHN-ZHSNQQFMSA-N 1 1 490.774 4.386 50 0 JIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355571 569823996 /nfs/dbraw/zinc/82/39/96/569823996.db2.gz HCPQJJMJAIAVFL-AWEZNQCLSA-N 1 1 454.518 4.409 50 0 JIAAMO CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(CC(=O)NCC[C@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102941145 569829584 /nfs/dbraw/zinc/82/95/84/569829584.db2.gz UWNIQFODGGRYET-CLOONOSVSA-N 1 1 496.677 4.432 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c1 ZINC000103020502 569831850 /nfs/dbraw/zinc/83/18/50/569831850.db2.gz MFNIPGOPRSBYLE-VIDGLSEISA-N 1 1 496.563 4.134 50 0 JIAAMO COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c1 ZINC000103020502 569831851 /nfs/dbraw/zinc/83/18/51/569831851.db2.gz MFNIPGOPRSBYLE-VIDGLSEISA-N 1 1 496.563 4.134 50 0 JIAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)[C@H](C)C(C)(C)O ZINC000105004589 569849963 /nfs/dbraw/zinc/84/99/63/569849963.db2.gz HGWLTWCWVLWPHR-GCJKJVERSA-N 1 1 460.640 4.133 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2C)C1 ZINC000105009735 569850593 /nfs/dbraw/zinc/85/05/93/569850593.db2.gz XJCYDSUNUYRCBK-HYBUGGRVSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2C)C1 ZINC000105009735 569850595 /nfs/dbraw/zinc/85/05/95/569850595.db2.gz XJCYDSUNUYRCBK-HYBUGGRVSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010687 569850874 /nfs/dbraw/zinc/85/08/74/569850874.db2.gz WCYZQHZURIJOAQ-NZQKXSOJSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010687 569850875 /nfs/dbraw/zinc/85/08/75/569850875.db2.gz WCYZQHZURIJOAQ-NZQKXSOJSA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2OC)C1 ZINC000105012277 569851256 /nfs/dbraw/zinc/85/12/56/569851256.db2.gz QVJIFSXSVWTPLS-SQJMNOBHSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2OC)C1 ZINC000105012277 569851257 /nfs/dbraw/zinc/85/12/57/569851257.db2.gz QVJIFSXSVWTPLS-SQJMNOBHSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012305 569851273 /nfs/dbraw/zinc/85/12/73/569851273.db2.gz SYASLWNCQCWJFD-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012305 569851274 /nfs/dbraw/zinc/85/12/74/569851274.db2.gz SYASLWNCQCWJFD-ATIYNZHBSA-N 1 1 477.605 4.265 50 0 JIAAMO Cc1ccccc1N1CC[NH+](CCc2nnc(NC(=O)c3ccccc3Br)s2)CC1 ZINC000051325986 569851728 /nfs/dbraw/zinc/85/17/28/569851728.db2.gz CQNGZKCISHDZJH-UHFFFAOYSA-N 1 1 486.439 4.226 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000169679125 569869525 /nfs/dbraw/zinc/86/95/25/569869525.db2.gz WRZUQQAWDOLPEO-FYYLOGMGSA-N 1 1 497.611 4.496 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169679838 569870015 /nfs/dbraw/zinc/87/00/15/569870015.db2.gz QTBRXHCTMXGSEL-DCFHFQCYSA-N 1 1 493.698 4.368 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169679838 569870016 /nfs/dbraw/zinc/87/00/16/569870016.db2.gz QTBRXHCTMXGSEL-DCFHFQCYSA-N 1 1 493.698 4.368 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COC(C)C ZINC000169681989 569871009 /nfs/dbraw/zinc/87/10/09/569871009.db2.gz GEKJOAXKPIGCTB-ISKFKSNPSA-N 1 1 488.694 4.368 50 0 JIAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000242347008 570053782 /nfs/dbraw/zinc/05/37/82/570053782.db2.gz ZKZPGQFMXONMKY-IRLDBZIGSA-N 1 1 456.608 4.254 50 0 JIAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000242347008 570053783 /nfs/dbraw/zinc/05/37/83/570053783.db2.gz ZKZPGQFMXONMKY-IRLDBZIGSA-N 1 1 456.608 4.254 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000245236587 570057123 /nfs/dbraw/zinc/05/71/23/570057123.db2.gz UNMKVPWXRYEYRT-XYHYBEPMSA-N 1 1 499.677 4.447 50 0 JIAAMO C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000245238142 570057404 /nfs/dbraw/zinc/05/74/04/570057404.db2.gz YFVNZYNFFOSIJQ-QZTJIDSGSA-N 1 1 459.034 4.300 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246833 570059176 /nfs/dbraw/zinc/05/91/76/570059176.db2.gz PHNKIEJBFCVDLE-FQTNTNHHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245246833 570059178 /nfs/dbraw/zinc/05/91/78/570059178.db2.gz PHNKIEJBFCVDLE-FQTNTNHHSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245246834 570059234 /nfs/dbraw/zinc/05/92/34/570059234.db2.gz PHNKIEJBFCVDLE-PITYFXLSSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245246834 570059235 /nfs/dbraw/zinc/05/92/35/570059235.db2.gz PHNKIEJBFCVDLE-PITYFXLSSA-N 1 1 490.774 4.386 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000245280387 570061933 /nfs/dbraw/zinc/06/19/33/570061933.db2.gz OTYXDKPKHYRVPC-RCZVLFRGSA-N 1 1 495.620 4.266 50 0 JIAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)CC1CC1 ZINC000245281307 570062318 /nfs/dbraw/zinc/06/23/18/570062318.db2.gz XDSBKHXICBHPKC-RBBKRZOGSA-N 1 1 472.651 4.135 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245381004 570067665 /nfs/dbraw/zinc/06/76/65/570067665.db2.gz ZZJZTCMLYUWDAI-XXBNENTESA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245381004 570067666 /nfs/dbraw/zinc/06/76/66/570067666.db2.gz ZZJZTCMLYUWDAI-XXBNENTESA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245381004 570067667 /nfs/dbraw/zinc/06/76/67/570067667.db2.gz ZZJZTCMLYUWDAI-XXBNENTESA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245381004 570067668 /nfs/dbraw/zinc/06/76/68/570067668.db2.gz ZZJZTCMLYUWDAI-XXBNENTESA-N 1 1 453.970 4.309 50 0 JIAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccncc4)C3)nc3ccccc32)cc1 ZINC000247891974 570070741 /nfs/dbraw/zinc/07/07/41/570070741.db2.gz MWVPMYSFXJRILW-OAQYLSRUSA-N 1 1 455.562 4.339 50 0 JIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccncc4)C3)nc3ccccc32)cc1 ZINC000247891974 570070742 /nfs/dbraw/zinc/07/07/42/570070742.db2.gz MWVPMYSFXJRILW-OAQYLSRUSA-N 1 1 455.562 4.339 50 0 JIAAMO CC(C)n1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)nc2ccccc21 ZINC000247970334 570071964 /nfs/dbraw/zinc/07/19/64/570071964.db2.gz DBOMQVCBRRHQMK-XMMPIXPASA-N 1 1 459.638 4.174 50 0 JIAAMO CCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247978874 570072098 /nfs/dbraw/zinc/07/20/98/570072098.db2.gz JBUPGLULESZTOH-KRWDZBQOSA-N 1 1 455.400 4.478 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000247999506 570072388 /nfs/dbraw/zinc/07/23/88/570072388.db2.gz FCFRNKZVMGFGJH-UKILVPOCSA-N 1 1 465.594 4.351 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000247999506 570072389 /nfs/dbraw/zinc/07/23/89/570072389.db2.gz FCFRNKZVMGFGJH-UKILVPOCSA-N 1 1 465.594 4.351 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000248093043 570073981 /nfs/dbraw/zinc/07/39/81/570073981.db2.gz WJWZKVIZRNNVMB-IBGZPJMESA-N 1 1 485.554 4.153 50 0 JIAAMO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccccc1OC ZINC000248243405 570076613 /nfs/dbraw/zinc/07/66/13/570076613.db2.gz KFSXJKIUVUBXHR-MAFNXUKGSA-N 1 1 466.578 4.179 50 0 JIAAMO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccccc1OC ZINC000248243405 570076614 /nfs/dbraw/zinc/07/66/14/570076614.db2.gz KFSXJKIUVUBXHR-MAFNXUKGSA-N 1 1 466.578 4.179 50 0 JIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248339268 570078077 /nfs/dbraw/zinc/07/80/77/570078077.db2.gz SNKLAHRIDVWWMW-SXTNBDNLSA-N 1 1 470.356 4.041 50 0 JIAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)nc2ccccc21 ZINC000249702947 570078975 /nfs/dbraw/zinc/07/89/75/570078975.db2.gz ZIIILRZDDMCEKA-UHFFFAOYSA-N 1 1 459.638 4.234 50 0 JIAAMO CC[C@H](C)[N@@H+](CCNC(=O)[C@H](CC)n1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000251954035 570079648 /nfs/dbraw/zinc/07/96/48/570079648.db2.gz UUWVEWGVCGHKCK-CVDCTZTESA-N 1 1 465.642 4.458 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000252430820 570080420 /nfs/dbraw/zinc/08/04/20/570080420.db2.gz LZKPPLWELVQRAT-OZXSUGGESA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000252430820 570080421 /nfs/dbraw/zinc/08/04/21/570080421.db2.gz LZKPPLWELVQRAT-OZXSUGGESA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000252430820 570080423 /nfs/dbraw/zinc/08/04/23/570080423.db2.gz LZKPPLWELVQRAT-OZXSUGGESA-N 1 1 493.604 4.240 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@H]2c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000252430820 570080425 /nfs/dbraw/zinc/08/04/25/570080425.db2.gz LZKPPLWELVQRAT-OZXSUGGESA-N 1 1 493.604 4.240 50 0 JIAAMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(OC)c3ccccc3c(OC)c12 ZINC000252486265 570081773 /nfs/dbraw/zinc/08/17/73/570081773.db2.gz HKMCCKFPXKMVNJ-HLMUJESESA-N 1 1 497.591 4.488 50 0 JIAAMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(OC)c3ccccc3c(OC)c12 ZINC000252486268 570081862 /nfs/dbraw/zinc/08/18/62/570081862.db2.gz HKMCCKFPXKMVNJ-TYKZQMRWSA-N 1 1 497.591 4.488 50 0 JIAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000253612889 570104764 /nfs/dbraw/zinc/10/47/64/570104764.db2.gz IKQBXIQXBKXZQZ-IBGZPJMESA-N 1 1 485.554 4.153 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[NH+](C)C ZINC000012601870 195047137 /nfs/dbraw/zinc/04/71/37/195047137.db2.gz RTMVVTWXZGHCBQ-XMMPIXPASA-N 1 1 458.562 4.043 50 0 JIAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)[NH+](C)C ZINC000012631109 195063114 /nfs/dbraw/zinc/06/31/14/195063114.db2.gz TZWVDNBWHBQPMN-HSZRJFAPSA-N 1 1 481.618 4.146 50 0 JIAAMO CCOc1ccc(-n2nc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)c3ccccc3c2=O)cc1 ZINC000020804872 195228287 /nfs/dbraw/zinc/22/82/87/195228287.db2.gz UTKRCCFJSKAJBK-FQEVSTJZSA-N 1 1 462.594 4.169 50 0 JIAAMO COC(=O)c1ccc(Cl)cc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927300 195249367 /nfs/dbraw/zinc/24/93/67/195249367.db2.gz NZZHQDMBMXHBKP-UHFFFAOYSA-N 1 1 458.971 4.288 50 0 JIAAMO CC(C)[N@@H+](CCCNC(=O)c1cn2c3c(ccc(Cl)c3c1=O)OCC2)Cc1ccccc1 ZINC000020927024 195249390 /nfs/dbraw/zinc/24/93/90/195249390.db2.gz XBGWSXLVVCFWMR-UHFFFAOYSA-N 1 1 453.970 4.078 50 0 JIAAMO CC(C)[N@H+]1CC[C@@H](CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000058175581 195371806 /nfs/dbraw/zinc/37/18/06/195371806.db2.gz PUXCGMNRXGRGPF-IBGZPJMESA-N 1 1 451.640 4.333 50 0 JIAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000058225890 195374507 /nfs/dbraw/zinc/37/45/07/195374507.db2.gz SNEDMPUEDOXHNV-INIZCTEOSA-N 1 1 450.004 4.016 50 0 JIAAMO CC(C)CNC(=O)c1cccc(C[NH+](CCn2cccn2)Cc2cccc(C(=O)NCC(C)C)c2)c1 ZINC000070021114 519741726 /nfs/dbraw/zinc/74/17/26/519741726.db2.gz BRRMNCBCQRPIPG-UHFFFAOYSA-N 1 1 489.664 4.357 50 0 JIAAMO CC(C)COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309763 519755738 /nfs/dbraw/zinc/75/57/38/519755738.db2.gz YBYSYROXAQYCEK-URXFXBBRSA-N 1 1 492.657 4.136 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036303093 520092919 /nfs/dbraw/zinc/09/29/19/520092919.db2.gz JSVKTYFOIARZOY-QHCPKHFHSA-N 1 1 467.610 4.381 50 0 JIAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036303093 520092928 /nfs/dbraw/zinc/09/29/28/520092928.db2.gz JSVKTYFOIARZOY-QHCPKHFHSA-N 1 1 467.610 4.381 50 0 JIAAMO CCOC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)CC(C)C ZINC000036205428 520154719 /nfs/dbraw/zinc/15/47/19/520154719.db2.gz LWGVONSQUQYDBC-OAHLLOKOSA-N 1 1 450.004 4.160 50 0 JIAAMO CCOC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)CC(C)C ZINC000036205428 520154726 /nfs/dbraw/zinc/15/47/26/520154726.db2.gz LWGVONSQUQYDBC-OAHLLOKOSA-N 1 1 450.004 4.160 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](C2CCN(c3ccc(C(=O)NCc4ccccc4F)cc3)CC2)C1 ZINC000014980397 520537497 /nfs/dbraw/zinc/53/74/97/520537497.db2.gz QVIXZSKJKZALSO-DEOSSOPVSA-N 1 1 494.655 4.305 50 0 JIAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)Cc1ccccc1 ZINC000064929156 521019592 /nfs/dbraw/zinc/01/95/92/521019592.db2.gz JJBACPHDDIICRC-VWLOTQADSA-N 1 1 457.622 4.388 50 0 JIAAMO CCOc1ccc2nc(N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)sc2c1 ZINC000020383458 521301620 /nfs/dbraw/zinc/30/16/20/521301620.db2.gz TWCKHJJOSFNRTB-UHFFFAOYSA-N 1 1 464.635 4.256 50 0 JIAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c21 ZINC000008597027 521401710 /nfs/dbraw/zinc/40/17/10/521401710.db2.gz HJEQOXJHRXWVMS-GOSISDBHSA-N 1 1 465.598 4.337 50 0 JIAAMO CCN1CCCC[C@H]1C(=O)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014881943 521595680 /nfs/dbraw/zinc/59/56/80/521595680.db2.gz TXNCGHOEMBUXCM-NDEPHWFRSA-N 1 1 491.676 4.463 50 0 JIAAMO COC(=O)[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[N@@H+]1CC(C)C ZINC000014883662 523761047 /nfs/dbraw/zinc/76/10/47/523761047.db2.gz QHRRMGFNNMOZQE-NQIIRXRSSA-N 1 1 453.970 4.490 50 0 JIAAMO COC(=O)[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[N@H+]1CC(C)C ZINC000014883662 523761054 /nfs/dbraw/zinc/76/10/54/523761054.db2.gz QHRRMGFNNMOZQE-NQIIRXRSSA-N 1 1 453.970 4.490 50 0 JIAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nc(N4CCCC4)cc(C(C)(C)C)n3)c2)CC1 ZINC000036065152 523882644 /nfs/dbraw/zinc/88/26/44/523882644.db2.gz HQYDHKUYUUISNL-UHFFFAOYSA-N 1 1 453.656 4.054 50 0 JIAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c2ccccc12 ZINC000012281611 524040066 /nfs/dbraw/zinc/04/00/66/524040066.db2.gz RMYYVMFROHMOQO-VWLOTQADSA-N 1 1 473.577 4.218 50 0 JIAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](CC(C)C)C2)cc1OC ZINC000014744713 524064751 /nfs/dbraw/zinc/06/47/51/524064751.db2.gz DPQUURCUXLUQJE-BJKOFHAPSA-N 1 1 493.648 4.042 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[N@@H+]2CC[C@H](c4ccccc4)C2)C3=O)cc1 ZINC000012420830 524390577 /nfs/dbraw/zinc/39/05/77/524390577.db2.gz DYZWNUHQTLDFJS-KMRXNPHXSA-N 1 1 485.609 4.422 50 0 JIAAMO COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[N@H+]2CC[C@H](c4ccccc4)C2)C3=O)cc1 ZINC000012420830 524390579 /nfs/dbraw/zinc/39/05/79/524390579.db2.gz DYZWNUHQTLDFJS-KMRXNPHXSA-N 1 1 485.609 4.422 50 0 JIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000020467763 524455955 /nfs/dbraw/zinc/45/59/55/524455955.db2.gz YLXYJYFUTFZGRO-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000020467763 524455961 /nfs/dbraw/zinc/45/59/61/524455961.db2.gz YLXYJYFUTFZGRO-UHFFFAOYSA-N 1 1 470.982 4.133 50 0 JIAAMO Cc1ccc(Cl)cc1NC(=O)N1CC[NH+](CCn2c3ncccc3nc2-c2ccncc2)CC1 ZINC000033139780 524750134 /nfs/dbraw/zinc/75/01/34/524750134.db2.gz HQPXPOZEPQGHMJ-UHFFFAOYSA-N 1 1 475.984 4.305 50 0 JIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)C(C)C)c1 ZINC000036309457 524759783 /nfs/dbraw/zinc/75/97/83/524759783.db2.gz JQUBCUSRDNTMFA-XUZZJYLKSA-N 1 1 474.667 4.058 50 0 JIAAMO COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@H](C)C2)CCC3)c1 ZINC000016192735 524865916 /nfs/dbraw/zinc/86/59/16/524865916.db2.gz QYWLBUKAIGSFGT-HNNXBMFYSA-N 1 1 457.596 4.177 50 0 JIAAMO COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@H](C)C2)CCC3)c1 ZINC000016192735 524865928 /nfs/dbraw/zinc/86/59/28/524865928.db2.gz QYWLBUKAIGSFGT-HNNXBMFYSA-N 1 1 457.596 4.177 50 0 JIAAMO Cc1c(Cl)cccc1NC(=O)N1CC[NH+](CCn2c3ncccc3nc2-c2ccncc2)CC1 ZINC000033139785 525770200 /nfs/dbraw/zinc/77/02/00/525770200.db2.gz AEHMHEZJCPZPQB-UHFFFAOYSA-N 1 1 475.984 4.305 50 0 JIAAMO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022698281 525786119 /nfs/dbraw/zinc/78/61/19/525786119.db2.gz ACDSTCSZRMCSOQ-MHZLTWQESA-N 1 1 470.573 4.119 50 0 JIAAMO COc1cccc(CN2C[C@@H](OCc3c(C)noc3C)C[N@H+](CCCc3ccccc3)CC2=O)c1 ZINC000014744951 525958198 /nfs/dbraw/zinc/95/81/98/525958198.db2.gz ZIDKYQIINNNYRQ-SANMLTNESA-N 1 1 477.605 4.162 50 0 JIAAMO COc1cccc(CN2C[C@@H](OCc3c(C)noc3C)C[N@@H+](CCCc3ccccc3)CC2=O)c1 ZINC000014744951 525958207 /nfs/dbraw/zinc/95/82/07/525958207.db2.gz ZIDKYQIINNNYRQ-SANMLTNESA-N 1 1 477.605 4.162 50 0 JIAAMO O=C([C@@H]1CCCN(c2nc3ccccc3n3cccc23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020489961 526470693 /nfs/dbraw/zinc/47/06/93/526470693.db2.gz XWKYCCKIJZQUJD-HSZRJFAPSA-N 1 1 453.590 4.048 50 0 JIAAMO O=C(CN1C[C@H](c2ccccc2)CC1=O)N1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000014993299 526821118 /nfs/dbraw/zinc/82/11/18/526821118.db2.gz QIUUEZLNBVFMGU-UBLOZGCESA-N 1 1 457.618 4.029 50 0 JIAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022798149 527057496 /nfs/dbraw/zinc/05/74/96/527057496.db2.gz PDGIEKGVWPZAMM-LICLKQGHSA-N 1 1 494.639 4.051 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014747935 527202614 /nfs/dbraw/zinc/20/26/14/527202614.db2.gz PZTJIIRKLRPPLQ-BJKOFHAPSA-N 1 1 489.591 4.140 50 0 JIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000014744905 527204080 /nfs/dbraw/zinc/20/40/80/527204080.db2.gz XBELMKYVHDDTAI-BJKOFHAPSA-N 1 1 459.565 4.261 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccccc1 ZINC000035456460 527350775 /nfs/dbraw/zinc/35/07/75/527350775.db2.gz MESPDMMMKTXSBQ-UHFFFAOYSA-N 1 1 468.532 4.246 50 0 JIAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)Nc1ccccc1 ZINC000035456460 527350780 /nfs/dbraw/zinc/35/07/80/527350780.db2.gz MESPDMMMKTXSBQ-UHFFFAOYSA-N 1 1 468.532 4.246 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@H](O)CN1CCOCC1 ZINC000036345979 527550119 /nfs/dbraw/zinc/55/01/19/527550119.db2.gz BXRQZBYMQLUKBL-XMMPIXPASA-N 1 1 496.627 4.263 50 0 JIAAMO O=C(NCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000021782043 527658116 /nfs/dbraw/zinc/65/81/16/527658116.db2.gz LDUORKBBOMAYLT-FQEVSTJZSA-N 1 1 499.706 4.157 50 0 JIAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000000755011 553777482 /nfs/dbraw/zinc/77/74/82/553777482.db2.gz LIVQCRLVWMQJAD-OAQYLSRUSA-N 1 1 466.383 4.489 50 0 JIAAMO COc1cc2nc(-c3ccccc3)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2cc1OC ZINC000002331355 554151702 /nfs/dbraw/zinc/15/17/02/554151702.db2.gz OCFWVJMNDUKAAG-UHFFFAOYSA-N 1 1 484.556 4.365 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002362773 554166532 /nfs/dbraw/zinc/16/65/32/554166532.db2.gz VNNMDLXHBZMVQV-RJESQKRESA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002362773 554166534 /nfs/dbraw/zinc/16/65/34/554166534.db2.gz VNNMDLXHBZMVQV-RJESQKRESA-N 1 1 471.944 4.233 50 0 JIAAMO Fc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=S)N3c3ccn(Cc4ccccc4F)n3)C2)cc1 ZINC000002803113 554354594 /nfs/dbraw/zinc/35/45/94/554354594.db2.gz FXQFSJKJTUXWGU-LJQANCHMSA-N 1 1 466.561 4.459 50 0 JIAAMO COc1ccc([C@@H](NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2)cc1 ZINC000008882585 554777379 /nfs/dbraw/zinc/77/73/79/554777379.db2.gz LRXBEGZZLBVSHD-MHZLTWQESA-N 1 1 463.622 4.015 50 0 JIAAMO CCc1sc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)o2)cc1C ZINC000008944003 554833039 /nfs/dbraw/zinc/83/30/39/554833039.db2.gz ICBXGSRHKGCULC-UHFFFAOYSA-N 1 1 454.552 4.248 50 0 JIAAMO CCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(F)c(N3CC[NH+](CCC)CC3)cc21 ZINC000009119241 554909933 /nfs/dbraw/zinc/90/99/33/554909933.db2.gz LZYMWZLAELGZIO-UHFFFAOYSA-N 1 1 499.652 4.478 50 0 JIAAMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000009235217 555009179 /nfs/dbraw/zinc/00/91/79/555009179.db2.gz RUPIBVRMLQUDIB-UHFFFAOYSA-N 1 1 458.558 4.060 50 0 JIAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000009269291 555044187 /nfs/dbraw/zinc/04/41/87/555044187.db2.gz MTQCHYCDHRILAG-NRFANRHFSA-N 1 1 495.645 4.426 50 0 JIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000009406282 555166558 /nfs/dbraw/zinc/16/65/58/555166558.db2.gz MGOZMKOVPRZFEU-UHFFFAOYSA-N 1 1 467.617 4.269 50 0 JIAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432743 555202180 /nfs/dbraw/zinc/20/21/80/555202180.db2.gz NACLZDDCXPCEKE-DNQXCXABSA-N 1 1 471.667 4.304 50 0 JIAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)C[C@@H]2C)c1 ZINC000009561311 555359138 /nfs/dbraw/zinc/35/91/38/555359138.db2.gz FWNPWRYDKZIHNY-SFHVURJKSA-N 1 1 485.991 4.092 50 0 JIAAMO CC(C)OCCC[N@@H+](C)C1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000009686331 555414887 /nfs/dbraw/zinc/41/48/87/555414887.db2.gz IDKDOGGQVJUBQN-UHFFFAOYSA-N 1 1 485.698 4.159 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000009711864 555434573 /nfs/dbraw/zinc/43/45/73/555434573.db2.gz WJZIVFTZCMMFAA-VWLOTQADSA-N 1 1 486.572 4.317 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000009711865 555434621 /nfs/dbraw/zinc/43/46/21/555434621.db2.gz WJZIVFTZCMMFAA-RUZDIDTESA-N 1 1 486.572 4.317 50 0 JIAAMO CCc1cc([C@@H](c2ccc(F)cc2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880688 555525943 /nfs/dbraw/zinc/52/59/43/555525943.db2.gz ALGFONOIJDGYHL-XMMPIXPASA-N 1 1 467.610 4.401 50 0 JIAAMO COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000020019087 555595308 /nfs/dbraw/zinc/59/53/08/555595308.db2.gz CJWAPKMDDKHJBD-LJAQVGFWSA-N 1 1 494.595 4.163 50 0 JIAAMO CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104125 555636237 /nfs/dbraw/zinc/63/62/37/555636237.db2.gz YVYRKVYQIIOOQC-SVBPBHIXSA-N 1 1 475.633 4.473 50 0 JIAAMO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc2)c1C ZINC000010164511 555638477 /nfs/dbraw/zinc/63/84/77/555638477.db2.gz OXHAROCQEHBWGK-UHFFFAOYSA-N 1 1 477.630 4.452 50 0 JIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000020114202 555651856 /nfs/dbraw/zinc/65/18/56/555651856.db2.gz UNMKVPWXRYEYRT-AYCKEJKLSA-N 1 1 499.677 4.447 50 0 JIAAMO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([N@@H+](CCO)Cc2ccccc2)C4)cc1 ZINC000020138022 555661372 /nfs/dbraw/zinc/66/13/72/555661372.db2.gz WIYFNPMMGVANAA-JOCHJYFZSA-N 1 1 459.615 4.167 50 0 JIAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214110 555708646 /nfs/dbraw/zinc/70/86/46/555708646.db2.gz ZZJZTCMLYUWDAI-WMZHIEFXSA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214110 555708648 /nfs/dbraw/zinc/70/86/48/555708648.db2.gz ZZJZTCMLYUWDAI-WMZHIEFXSA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214110 555708650 /nfs/dbraw/zinc/70/86/50/555708650.db2.gz ZZJZTCMLYUWDAI-WMZHIEFXSA-N 1 1 453.970 4.309 50 0 JIAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214110 555708653 /nfs/dbraw/zinc/70/86/53/555708653.db2.gz ZZJZTCMLYUWDAI-WMZHIEFXSA-N 1 1 453.970 4.309 50 0 JIAAMO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000011034638 555755606 /nfs/dbraw/zinc/75/56/06/555755606.db2.gz NMFHWAOPJIAWDR-UHFFFAOYSA-N 1 1 473.639 4.109 50 0 JIAAMO Cc1cnc(-n2ncc(C(=O)NCC[C@H]3CCC[N@H+]3C)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000011788362 555822517 /nfs/dbraw/zinc/82/25/17/555822517.db2.gz NSMAIYLIIXPYCM-HXUWFJFHSA-N 1 1 450.562 4.114 50 0 JIAAMO CCc1c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000020572487 555824126 /nfs/dbraw/zinc/82/41/26/555824126.db2.gz LIXOUNPRKXWDHL-HSZRJFAPSA-N 1 1 475.658 4.144 50 0 JIAAMO Oc1cc(OCC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000020589556 555837903 /nfs/dbraw/zinc/83/79/03/555837903.db2.gz FNRRKIJROWUMTC-UHFFFAOYSA-N 1 1 498.583 4.375 50 0 JIAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000014989982 555842323 /nfs/dbraw/zinc/84/23/23/555842323.db2.gz GBAPVEDTDCEJBL-QFIPXVFZSA-N 1 1 459.638 4.345 50 0 JIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(OC)c(F)c2)CCO3)C1 ZINC000011869234 555845519 /nfs/dbraw/zinc/84/55/19/555845519.db2.gz HNGBILXUVZIONN-QHCPKHFHSA-N 1 1 483.628 4.309 50 0 JIAAMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030611 555865082 /nfs/dbraw/zinc/86/50/82/555865082.db2.gz JATIRVNZSXGEIV-CQSZACIVSA-N 1 1 471.321 4.402 50 0 JIAAMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030611 555865085 /nfs/dbraw/zinc/86/50/85/555865085.db2.gz JATIRVNZSXGEIV-CQSZACIVSA-N 1 1 471.321 4.402 50 0 JIAAMO CCOC(=O)C1CC[NH+](Cc2ccc3c(n2)sc(C(=O)OC)c3NC(=O)Cc2ccccc2)CC1 ZINC000011980418 555876585 /nfs/dbraw/zinc/87/65/85/555876585.db2.gz HNFSPSYRQJKXPB-UHFFFAOYSA-N 1 1 495.601 4.039 50 0 JIAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000012035483 555888858 /nfs/dbraw/zinc/88/88/58/555888858.db2.gz UYNSSOVGRSIYEK-LJQANCHMSA-N 1 1 459.619 4.361 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)CC1 ZINC000012074096 555902051 /nfs/dbraw/zinc/90/20/51/555902051.db2.gz UFQQQGBLQATNSB-KRWDZBQOSA-N 1 1 451.995 4.400 50 0 JIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)CC1 ZINC000012074100 555902123 /nfs/dbraw/zinc/90/21/23/555902123.db2.gz UFQQQGBLQATNSB-QGZVFWFLSA-N 1 1 451.995 4.400 50 0 JIAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000012140873 555919772 /nfs/dbraw/zinc/91/97/72/555919772.db2.gz LILXBMJWVJJPPM-UHFFFAOYSA-N 1 1 480.055 4.489 50 0 JIAAMO CCC[C@@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000012150495 555922847 /nfs/dbraw/zinc/92/28/47/555922847.db2.gz KWYJANOWDKSMFL-DHLKQENFSA-N 1 1 494.602 4.492 50 0 JIAAMO CCC[C@@]1(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000012150495 555922849 /nfs/dbraw/zinc/92/28/49/555922849.db2.gz KWYJANOWDKSMFL-DHLKQENFSA-N 1 1 494.602 4.492 50 0 JIAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1C ZINC000015671355 555928115 /nfs/dbraw/zinc/92/81/15/555928115.db2.gz LNUORMZFFCIRMZ-UHFFFAOYSA-N 1 1 467.595 4.091 50 0 JIAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000012247878 555946969 /nfs/dbraw/zinc/94/69/69/555946969.db2.gz IMRIJCFMZBNTDC-RUZDIDTESA-N 1 1 460.626 4.328 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726048 555963059 /nfs/dbraw/zinc/96/30/59/555963059.db2.gz FJQSNYITHNACME-INIZCTEOSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)n2)cc1OC ZINC000015726048 555963062 /nfs/dbraw/zinc/96/30/62/555963062.db2.gz FJQSNYITHNACME-INIZCTEOSA-N 1 1 456.930 4.258 50 0 JIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)n2)cc1OC ZINC000015726265 555963920 /nfs/dbraw/zinc/96/39/20/555963920.db2.gz IFILOZGWQFSEGO-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)n2)cc1OC ZINC000015726265 555963922 /nfs/dbraw/zinc/96/39/22/555963922.db2.gz IFILOZGWQFSEGO-LJQANCHMSA-N 1 1 450.539 4.221 50 0 JIAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022919366 555973384 /nfs/dbraw/zinc/97/33/84/555973384.db2.gz FWLHZMCLDVOKTC-OAQYLSRUSA-N 1 1 471.045 4.354 50 0 JIAAMO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000012521024 555991832 /nfs/dbraw/zinc/99/18/32/555991832.db2.gz CMHNKTKIMTXUMI-QHCPKHFHSA-N 1 1 467.591 4.346 50 0 JIAAMO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000023115549 556012209 /nfs/dbraw/zinc/01/22/09/556012209.db2.gz KJLPFHSOEXYUTB-LAEWNIMASA-N 1 1 450.501 4.309 50 0 JIAAMO CC[N@@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)c1cccc(O)c1 ZINC000012541229 556015247 /nfs/dbraw/zinc/01/52/47/556015247.db2.gz FBXDKYVJRDKXJZ-LOSJGSFVSA-N 1 1 457.517 4.193 50 0 JIAAMO C[C@H](CNC(=O)c1cccc(Cl)c1)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000023192412 556030110 /nfs/dbraw/zinc/03/01/10/556030110.db2.gz JBVJNZMMPWAAGV-OAQYLSRUSA-N 1 1 479.024 4.250 50 0 JIAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860428 556031665 /nfs/dbraw/zinc/03/16/65/556031665.db2.gz CBYGMHMUWJLTOL-KRWDZBQOSA-N 1 1 459.340 4.414 50 0 JIAAMO C[C@@H](c1nn(CN(C)CC(=O)Nc2ccccc2Cl)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012554642 556039272 /nfs/dbraw/zinc/03/92/72/556039272.db2.gz DUMMOYJGBOYLQD-HNNXBMFYSA-N 1 1 477.009 4.346 50 0 JIAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 ZINC000012567883 556067761 /nfs/dbraw/zinc/06/77/61/556067761.db2.gz YZYWVFHFGDBAFF-GOSISDBHSA-N 1 1 465.598 4.417 50 0 JIAAMO CCn1c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012579911 556078374 /nfs/dbraw/zinc/07/83/74/556078374.db2.gz KKFYZWBKHZVSFP-RUZDIDTESA-N 1 1 496.658 4.018 50 0 JIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)c(OC)c(OC)c2)N3)C1 ZINC000015947283 556085271 /nfs/dbraw/zinc/08/52/71/556085271.db2.gz NURLLWOUGRJJBF-QGZVFWFLSA-N 1 1 499.374 4.177 50 0 JIAAMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000023934887 556101517 /nfs/dbraw/zinc/10/15/17/556101517.db2.gz DDEVCDRFHOKTFL-RXFWQSSRSA-N 1 1 478.662 4.054 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016001961 556107261 /nfs/dbraw/zinc/10/72/61/556107261.db2.gz FSRFOSZQIFSTDH-YAOOYPAMSA-N 1 1 493.563 4.466 50 0 JIAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016001961 556107264 /nfs/dbraw/zinc/10/72/64/556107264.db2.gz FSRFOSZQIFSTDH-YAOOYPAMSA-N 1 1 493.563 4.466 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016013173 556112088 /nfs/dbraw/zinc/11/20/88/556112088.db2.gz VNNMDLXHBZMVQV-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016013173 556112092 /nfs/dbraw/zinc/11/20/92/556112092.db2.gz VNNMDLXHBZMVQV-JLFWUPFSSA-N 1 1 471.944 4.233 50 0 JIAAMO COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccncc3)[NH+]3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000024022754 556116610 /nfs/dbraw/zinc/11/66/10/556116610.db2.gz WSGUPBAINBHUGG-LJAQVGFWSA-N 1 1 496.611 4.226 50 0 JIAAMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000024985077 556169567 /nfs/dbraw/zinc/16/95/67/556169567.db2.gz URPVCNAFVIIMRI-VGSWGCGISA-N 1 1 491.569 4.458 50 0 JIAAMO CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COc1ccc(Br)cc1 ZINC000025662159 556228680 /nfs/dbraw/zinc/22/86/80/556228680.db2.gz SNVGMOYUJDUSMW-INIZCTEOSA-N 1 1 480.790 4.403 50 0 JIAAMO CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COc1ccc(Br)cc1 ZINC000025662159 556228685 /nfs/dbraw/zinc/22/86/85/556228685.db2.gz SNVGMOYUJDUSMW-INIZCTEOSA-N 1 1 480.790 4.403 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)[C@@H](c3ccco3)C2)cc1 ZINC000027570755 556298156 /nfs/dbraw/zinc/29/81/56/556298156.db2.gz NKSXJLAMASCYPH-PXDATVDWSA-N 1 1 486.572 4.317 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)[C@@H](c3ccco3)C2)cc1 ZINC000027570755 556298159 /nfs/dbraw/zinc/29/81/59/556298159.db2.gz NKSXJLAMASCYPH-PXDATVDWSA-N 1 1 486.572 4.317 50 0 JIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000029699919 556355533 /nfs/dbraw/zinc/35/55/33/556355533.db2.gz BFZURHWVECZLHS-QFIPXVFZSA-N 1 1 477.527 4.208 50 0 JIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000029699919 556355537 /nfs/dbraw/zinc/35/55/37/556355537.db2.gz BFZURHWVECZLHS-QFIPXVFZSA-N 1 1 477.527 4.208 50 0 JIAAMO Cc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c(C)c1 ZINC000019811935 556382573 /nfs/dbraw/zinc/38/25/73/556382573.db2.gz QOGYXCIPEMZQGH-UHFFFAOYSA-N 1 1 491.657 4.003 50 0 JIAAMO CC1CCN(Cc2nc3sc4c(c3c(N3CCC[N@@H+](C[C@@H]5CCCO5)CC3)n2)CCC4)CC1 ZINC000032809705 556499680 /nfs/dbraw/zinc/49/96/80/556499680.db2.gz HDTXPDBFIFFVNN-FQEVSTJZSA-N 1 1 469.699 4.103 50 0 JIAAMO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000008617146 562948204 /nfs/dbraw/zinc/94/82/04/562948204.db2.gz ZNXSIUXUSZYFJF-NDEPHWFRSA-N 1 1 485.584 4.424 50 0 aggregator JIAAMO CCc1c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000055358695 569591682 /nfs/dbraw/zinc/59/16/82/569591682.db2.gz IIDLVRPKMHYBGB-AREMUKBSSA-N 1 1 499.655 4.091 50 0 JIAAMO CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1CCC[N@H+]12 ZINC000063552076 569615514 /nfs/dbraw/zinc/61/55/14/569615514.db2.gz HWMDVCMUKMUZBX-QCPUYCGNSA-N 1 1 476.321 4.022 50 0 biogenic JIAAMO Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000034675547 569641060 /nfs/dbraw/zinc/64/10/60/569641060.db2.gz CCIYYMFLQLQUCW-UHFFFAOYSA-N 1 1 455.602 4.467 50 0 JIAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000034676527 569641382 /nfs/dbraw/zinc/64/13/82/569641382.db2.gz HMTZVMYKGMHOCW-HXUWFJFHSA-N 1 1 462.421 4.295 50 0 JIAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC000034676527 569641383 /nfs/dbraw/zinc/64/13/83/569641383.db2.gz HMTZVMYKGMHOCW-HXUWFJFHSA-N 1 1 462.421 4.295 50 0 JIAAMO COc1ccccc1C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1 ZINC000034681828 569643570 /nfs/dbraw/zinc/64/35/70/569643570.db2.gz JWIWHXNTOXMDCT-UHFFFAOYSA-N 1 1 452.505 4.333 50 0 JIAAMO COc1ccccc1C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1 ZINC000034681828 569643571 /nfs/dbraw/zinc/64/35/71/569643571.db2.gz JWIWHXNTOXMDCT-UHFFFAOYSA-N 1 1 452.505 4.333 50 0 JIAAMO COc1cccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)c1 ZINC000034681934 569643786 /nfs/dbraw/zinc/64/37/86/569643786.db2.gz MPMLVDADLJXGRC-UHFFFAOYSA-N 1 1 452.505 4.333 50 0 JIAAMO Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccoc2)CC1 ZINC000034683989 569644772 /nfs/dbraw/zinc/64/47/72/569644772.db2.gz JLXJGQRYRBGEDN-UHFFFAOYSA-N 1 1 454.548 4.177 50 0 JIAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(F)c4)C3=O)c2)CC1 ZINC000034761796 569657936 /nfs/dbraw/zinc/65/79/36/569657936.db2.gz UAPFGHBJZBHTJS-JCMHNJIXSA-N 1 1 467.566 4.228 50 0 JIAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787121 569659567 /nfs/dbraw/zinc/65/95/67/569659567.db2.gz KPLKAKGHCJKNSA-SANMLTNESA-N 1 1 453.652 4.337 50 0 JIAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787121 569659569 /nfs/dbraw/zinc/65/95/69/569659569.db2.gz KPLKAKGHCJKNSA-SANMLTNESA-N 1 1 453.652 4.337 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000034829590 569663229 /nfs/dbraw/zinc/66/32/29/569663229.db2.gz OAZQUOIMVVTVEA-IBVKSMDESA-N 1 1 465.663 4.335 50 0 JIAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C1CCCCC1 ZINC000034829590 569663230 /nfs/dbraw/zinc/66/32/30/569663230.db2.gz OAZQUOIMVVTVEA-IBVKSMDESA-N 1 1 465.663 4.335 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@H](C)C1 ZINC000034829840 569663354 /nfs/dbraw/zinc/66/33/54/569663354.db2.gz AMAKCKIIEHOEBB-FQRUVTKNSA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCC2)[C@H](C)C1 ZINC000034829840 569663355 /nfs/dbraw/zinc/66/33/55/569663355.db2.gz AMAKCKIIEHOEBB-FQRUVTKNSA-N 1 1 465.663 4.254 50 0 JIAAMO Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000034835993 569665303 /nfs/dbraw/zinc/66/53/03/569665303.db2.gz FGNRQVVCJSURPM-UHFFFAOYSA-N 1 1 499.586 4.221 50 0 JIAAMO COc1cccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928027 569673325 /nfs/dbraw/zinc/67/33/25/569673325.db2.gz FQVPMCRTEFWZQU-FQLXRVMXSA-N 1 1 495.623 4.483 50 0 JIAAMO CCC[NH+](CCC)CCCC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000065554189 569675893 /nfs/dbraw/zinc/67/58/93/569675893.db2.gz JXMZGAPFEYVNLD-UHFFFAOYSA-N 1 1 465.591 4.476 50 0 JIAAMO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](CCc2c(C)nc3c(O)cccn3c2=O)C1 ZINC000085393505 569710068 /nfs/dbraw/zinc/71/00/68/569710068.db2.gz WZSAWHDZMZIGJS-UHFFFAOYSA-N 1 1 493.611 4.210 50 0 JIAAMO Cc1ccc(-c2nccc(N3CCC(C(=O)NCCC[N@H+](C)Cc4ccccc4)CC3)n2)cc1 ZINC000085649265 569712273 /nfs/dbraw/zinc/71/22/73/569712273.db2.gz ASBSHDDKHIDMRE-UHFFFAOYSA-N 1 1 457.622 4.307 50 0 JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000085879073 569716324 /nfs/dbraw/zinc/71/63/24/569716324.db2.gz YKCQUERAHFTBKN-LAUBAEHRSA-N 1 1 471.399 4.091 50 0 biogenic JIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000085878810 569716326 /nfs/dbraw/zinc/71/63/26/569716326.db2.gz IFCCIXNUNRNEOZ-VNRZQXBUSA-N 1 1 479.665 4.099 50 0 biogenic JIAAMO O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@H]12 ZINC000035871565 569718825 /nfs/dbraw/zinc/71/88/25/569718825.db2.gz RNSQOSWPTNFNNJ-LADGPHEKSA-N 1 1 472.555 4.412 50 0 JIAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C(C)C)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545216 569726945 /nfs/dbraw/zinc/72/69/45/569726945.db2.gz XJICMMMKJJOMCN-UHFFFAOYSA-N 1 1 450.558 4.201 50 0 JIAAMO CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000096024493 569732006 /nfs/dbraw/zinc/73/20/06/569732006.db2.gz YKNAKDFZAWQEEO-IBGZPJMESA-N 1 1 468.594 4.222 50 0 in-vitro JIAAMO COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)cc1OC ZINC000096116512 569735446 /nfs/dbraw/zinc/73/54/46/569735446.db2.gz RAIXRCXCIRSNAA-LGKGCUSLSA-N 1 1 477.605 4.350 50 0 biogenic JIAAMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000096124618 569736107 /nfs/dbraw/zinc/73/61/07/569736107.db2.gz FRVGFYIYPUWKHW-RUZDIDTESA-N 1 1 467.516 4.442 50 0 JIAAMO O=C1C[C@@H]([NH+]2CCC(Nc3ccc(OC(F)(F)F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100215073 569755622 /nfs/dbraw/zinc/75/56/22/569755622.db2.gz ZZVCWIMICOFQNJ-LJQANCHMSA-N 1 1 467.875 4.447 50 0 JIAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)c2cccs2)CC1 ZINC000036312225 569760043 /nfs/dbraw/zinc/76/00/43/569760043.db2.gz QKHSPYZGDSDRGJ-FQEVSTJZSA-N 1 1 484.597 4.115 50 0 JIAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313050 569760648 /nfs/dbraw/zinc/76/06/48/569760648.db2.gz QBNZBVQHGPHJGK-JOCHJYFZSA-N 1 1 455.599 4.248 50 0 JIAAMO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)c1Cc1cccc(C)c1 ZINC000036340675 569763940 /nfs/dbraw/zinc/76/39/40/569763940.db2.gz JYXZPWNPSDBXCI-VWLOTQADSA-N 1 1 474.649 4.117 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036342528 569765732 /nfs/dbraw/zinc/76/57/32/569765732.db2.gz JTUPIPGVTHBZQR-QHCPKHFHSA-N 1 1 453.970 4.165 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343730 569766529 /nfs/dbraw/zinc/76/65/29/569766529.db2.gz SVIGNYUJYNOFTI-XXBNENTESA-N 1 1 453.970 4.293 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343730 569766530 /nfs/dbraw/zinc/76/65/30/569766530.db2.gz SVIGNYUJYNOFTI-XXBNENTESA-N 1 1 453.970 4.293 50 0 JIAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000036344268 569766847 /nfs/dbraw/zinc/76/68/47/569766847.db2.gz PHOJGARWIFASNV-MUUNZHRXSA-N 1 1 452.602 4.491 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344864 569767484 /nfs/dbraw/zinc/76/74/84/569767484.db2.gz XJCYDSUNUYRCBK-RDPSFJRHSA-N 1 1 451.542 4.087 50 0 JIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2C)C1 ZINC000036344864 569767486 /nfs/dbraw/zinc/76/74/86/569767486.db2.gz XJCYDSUNUYRCBK-RDPSFJRHSA-N 1 1 451.542 4.087 50 0 JIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@H](c3ccccc3OC)C2)cc1OC ZINC000036345304 569767787 /nfs/dbraw/zinc/76/77/87/569767787.db2.gz PSYVTTRWVBQWEP-AVRDEDQJSA-N 1 1 451.567 4.265 50 0 JIAAMO COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036345633 569768085 /nfs/dbraw/zinc/76/80/85/569768085.db2.gz OCLKMHBSZWJSDT-LJAQVGFWSA-N 1 1 482.628 4.499 50 0 JIAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@H](O)CN1CCOCC1 ZINC000036346239 569769259 /nfs/dbraw/zinc/76/92/59/569769259.db2.gz OHJCPKMAQAQPAZ-RUZDIDTESA-N 1 1 496.627 4.263 50 0 JIAAMO COc1ccc(C[NH+]2CCN(c3nc(-c4ccc(OC)c(OC)c4)cc(C(F)F)n3)CC2)cc1 ZINC000036614086 569778202 /nfs/dbraw/zinc/77/82/02/569778202.db2.gz JSYKZELKAGHHAX-UHFFFAOYSA-N 1 1 470.520 4.429 50 0 JIAAMO C[N@H+]1CCC[C@H]1CCNC(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000037382595 569785234 /nfs/dbraw/zinc/78/52/34/569785234.db2.gz ULYXZCBDUAADHD-LUJYGJGBSA-N 1 1 456.011 4.463 50 0 JIAAMO CC[NH+]1CCN(C(=O)CN(c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2OC)CC1 ZINC000037438525 569790479 /nfs/dbraw/zinc/79/04/79/569790479.db2.gz SGJHYCMOPPJAMG-UHFFFAOYSA-N 1 1 466.607 4.130 50 0 JIAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(NCC[C@](O)(c3nccn3C)C(F)(F)F)c2c1C ZINC000040105311 569816123 /nfs/dbraw/zinc/81/61/23/569816123.db2.gz URNZTYNUAQKESZ-NRFANRHFSA-N 1 1 482.576 4.280 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000040149635 569819243 /nfs/dbraw/zinc/81/92/43/569819243.db2.gz OZXFILOLKOWSRY-IRLDBZIGSA-N 1 1 497.636 4.138 50 0 JIAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2cc1C ZINC000040149635 569819244 /nfs/dbraw/zinc/81/92/44/569819244.db2.gz OZXFILOLKOWSRY-IRLDBZIGSA-N 1 1 497.636 4.138 50 0 JIAAMO Cc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[NH+](C)C)cc1 ZINC000040323039 569823924 /nfs/dbraw/zinc/82/39/24/569823924.db2.gz STNJFJMKUKFNFC-IBGZPJMESA-N 1 1 491.407 4.216 50 0 JIAAMO CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(CC(=O)NCC[C@@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102940546 569829490 /nfs/dbraw/zinc/82/94/90/569829490.db2.gz GWKZRRORVZDWMP-YADARESESA-N 1 1 482.650 4.124 50 0 JIAAMO CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)NCC[C@H]3CCC[N@H+]3C)=CSC2=N1 ZINC000102941147 569829631 /nfs/dbraw/zinc/82/96/31/569829631.db2.gz UWNIQFODGGRYET-KBMIEXCESA-N 1 1 496.677 4.432 50 0 JIAAMO COc1cc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc(OC)c1OC ZINC000045974125 569841724 /nfs/dbraw/zinc/84/17/24/569841724.db2.gz SWJMURMCRDWBHA-UHFFFAOYSA-N 1 1 459.546 4.231 50 0 JIAAMO COc1cc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc(OC)c1OC ZINC000045974125 569841726 /nfs/dbraw/zinc/84/17/26/569841726.db2.gz SWJMURMCRDWBHA-UHFFFAOYSA-N 1 1 459.546 4.231 50 0 JIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCC([C@@H](O)c2cccnc2)CC1 ZINC000104457299 569845758 /nfs/dbraw/zinc/84/57/58/569845758.db2.gz QLWHVNYQJZDFPT-XRKRLSELSA-N 1 1 471.601 4.380 50 0 JIAAMO O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104917142 569847031 /nfs/dbraw/zinc/84/70/31/569847031.db2.gz RHMBWQDSBGBJGS-AZGAKELHSA-N 1 1 494.561 4.322 50 0 JIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC ZINC000105002393 569848958 /nfs/dbraw/zinc/84/89/58/569848958.db2.gz NECKLZRDSAEBIE-TZIWHRDSSA-N 1 1 453.583 4.496 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000105003281 569849204 /nfs/dbraw/zinc/84/92/04/569849204.db2.gz SZMXNXCZQRPVEW-WIOPSUGQSA-N 1 1 488.694 4.484 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000105003359 569849527 /nfs/dbraw/zinc/84/95/27/569849527.db2.gz QRGZBJLSJXOBHE-WIOPSUGQSA-N 1 1 488.694 4.307 50 0 JIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)Cc1ccccc1 ZINC000105004394 569849618 /nfs/dbraw/zinc/84/96/18/569849618.db2.gz WXCATHIYEHFGLP-ILBGXUMGSA-N 1 1 478.658 4.487 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105008648 569850281 /nfs/dbraw/zinc/85/02/81/569850281.db2.gz CNAYBHWDIOTPNA-HYBUGGRVSA-N 1 1 483.996 4.301 50 0 JIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105008648 569850283 /nfs/dbraw/zinc/85/02/83/569850283.db2.gz CNAYBHWDIOTPNA-HYBUGGRVSA-N 1 1 483.996 4.301 50 0 JIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000105470133 569853050 /nfs/dbraw/zinc/85/30/50/569853050.db2.gz HSNBAEHROYSCRL-UETOGOEVSA-N 1 1 493.696 4.458 50 0 JIAAMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000107345267 569856372 /nfs/dbraw/zinc/85/63/72/569856372.db2.gz ZSMVJRBPOUOLDJ-FCHUYYIVSA-N 1 1 485.575 4.311 50 0 JIAAMO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679349 569869665 /nfs/dbraw/zinc/86/96/65/569869665.db2.gz XOVIIFHZYVUAEM-CTNGQTDRSA-N 1 1 451.920 4.358 50 0 JIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COC(C)C ZINC000169679251 569869624 /nfs/dbraw/zinc/86/96/24/569869624.db2.gz JQUDEFAMVSQVAS-FYYLOGMGSA-N 1 1 474.667 4.059 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680028 569870081 /nfs/dbraw/zinc/87/00/81/569870081.db2.gz WIENNNJGVFREGW-IDISGSTGSA-N 1 1 473.642 4.377 50 0 JIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680028 569870082 /nfs/dbraw/zinc/87/00/82/569870082.db2.gz WIENNNJGVFREGW-IDISGSTGSA-N 1 1 473.642 4.377 50 0 JIAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000240333278 570052848 /nfs/dbraw/zinc/05/28/48/570052848.db2.gz FCRWLVPSRMJHJS-IGKWTDBASA-N 1 1 470.013 4.408 50 0 JIAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000240333278 570052849 /nfs/dbraw/zinc/05/28/49/570052849.db2.gz FCRWLVPSRMJHJS-IGKWTDBASA-N 1 1 470.013 4.408 50 0 JIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245280847 570062094 /nfs/dbraw/zinc/06/20/94/570062094.db2.gz UOOAVECXJGMSEM-LADGPHEKSA-N 1 1 483.584 4.397 50 0 JIAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)CC(C)C ZINC000245327435 570065332 /nfs/dbraw/zinc/06/53/32/570065332.db2.gz JHQVMWAYPBUIIJ-GBXCKJPGSA-N 1 1 474.667 4.381 50 0 JIAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000248244414 570076593 /nfs/dbraw/zinc/07/65/93/570076593.db2.gz GGSSOHAHFTZPNA-OCDQVXHZSA-N 1 1 462.631 4.077 50 0 JIAAMO CCCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000248244414 570076594 /nfs/dbraw/zinc/07/65/94/570076594.db2.gz GGSSOHAHFTZPNA-OCDQVXHZSA-N 1 1 462.631 4.077 50 0 JIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)C2)nc2ccccc21 ZINC000249693031 570078694 /nfs/dbraw/zinc/07/86/94/570078694.db2.gz NILXDZFSBOIHMR-QHCPKHFHSA-N 1 1 459.638 4.234 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000252517902 570083022 /nfs/dbraw/zinc/08/30/22/570083022.db2.gz USLXYLBZAWHKFL-CNWOVPGOSA-N 1 1 490.774 4.386 50 0 JIAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517902 570083023 /nfs/dbraw/zinc/08/30/23/570083023.db2.gz USLXYLBZAWHKFL-CNWOVPGOSA-N 1 1 490.774 4.386 50 0 JIAAMO CC1(C)CCc2c(cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3c4c(c(=O)oc23)CCC4)O1 ZINC000253399543 570096411 /nfs/dbraw/zinc/09/64/11/570096411.db2.gz DAMYQNBXWVLRHT-PGRDOPGGSA-N 1 1 494.632 4.145 50 0 JIAAMO